Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 2412. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 20-Nov-2017 ****************************************** %chk=\\icnas4.cc.ic.ac.uk\zx2015\Desktop\3rd yr Computational Lab\Excise 2\endo_ ts_631G_jmol.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # b3lyp/6-31g(d) geom=connectivity gfprint integral=grid=ultrafine pop =full ---------------------------------------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,74=-5,75=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0.20124 0.13932 0. C 0.20129 -2.59346 -0.00002 C 1.18115 -0.44821 -0.99433 H 0.88054 -0.05527 -1.97491 H 2.20715 -0.08714 -0.83895 C 1.18118 -2.00588 -0.99434 H 1.08398 -2.39881 -2.01535 H 2.15497 -2.36691 -0.63576 H 0.06247 -3.67241 -0.04863 H 0.06237 1.21826 -0.04858 C -1.65737 -1.91876 -1.17691 H -1.35217 -2.57327 -1.98183 C -1.65738 -0.53536 -1.17688 H -1.35217 0.11918 -1.98177 O -2.69876 -2.37113 -0.37009 O -2.69875 -0.08303 -0.37004 C -3.48905 -1.22707 -0.07942 H -3.75728 -1.2271 0.98075 H -4.39623 -1.22704 -0.7095 C -0.08792 -1.93281 1.17978 H -0.53118 -2.47245 2.01287 C -0.08794 -0.52137 1.1798 H -0.53123 0.01824 2.0129 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.201238 0.139319 0.000000 2 6 0 0.201291 -2.593464 -0.000023 3 6 0 1.181146 -0.448210 -0.994329 4 1 0 0.880541 -0.055271 -1.974913 5 1 0 2.207147 -0.087138 -0.838948 6 6 0 1.181176 -2.005875 -0.994341 7 1 0 1.083976 -2.398810 -2.015352 8 1 0 2.154967 -2.366909 -0.635759 9 1 0 0.062471 -3.672412 -0.048629 10 1 0 0.062365 1.218261 -0.048583 11 6 0 -1.657374 -1.918760 -1.176905 12 1 0 -1.352171 -2.573269 -1.981828 13 6 0 -1.657377 -0.535360 -1.176876 14 1 0 -1.352167 0.119184 -1.981767 15 8 0 -2.698756 -2.371133 -0.370087 16 8 0 -2.698750 -0.083034 -0.370037 17 6 0 -3.489046 -1.227071 -0.079419 18 1 0 -3.757277 -1.227099 0.980745 19 1 0 -4.396226 -1.227039 -0.709503 20 6 0 -0.087916 -1.932808 1.179784 21 1 0 -0.531183 -2.472450 2.012874 22 6 0 -0.087941 -0.521372 1.179797 23 1 0 -0.531232 0.018237 2.012896 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 2.732783 0.000000 3 C 1.514629 2.559468 0.000000 4 H 2.097522 3.286943 1.098321 0.000000 5 H 2.186044 3.317970 1.098724 1.746802 0.000000 6 C 2.559463 1.514630 1.557665 2.203805 2.181356 7 H 3.359013 2.208749 2.203808 2.352700 2.826529 8 H 3.240744 2.066963 2.181354 2.959927 2.289403 9 H 3.814566 1.088927 3.541364 4.178937 4.251874 10 H 1.088927 3.814565 2.218836 2.449907 2.632268 11 C 3.012513 2.301068 3.202038 3.248141 4.289939 12 H 3.701196 2.518175 3.450902 3.365317 4.489517 13 C 2.301017 3.012544 2.845722 2.703400 3.905079 14 H 2.518109 3.701216 2.777525 2.239523 3.743971 15 O 3.853479 2.932005 4.375037 4.555222 5.431791 16 O 2.931945 3.853493 3.946731 3.922718 4.928257 17 C 3.935927 3.935978 4.822279 4.905028 5.858579 18 H 4.301023 4.301060 5.375463 5.623028 6.339176 19 H 4.848402 4.848468 5.638686 5.551447 6.702288 20 C 2.401918 1.382770 2.922553 3.796731 3.570587 21 H 3.377786 2.145441 4.009101 4.872182 4.617473 22 C 1.382772 2.401915 2.518483 3.332777 3.087284 23 H 2.145442 3.377783 3.491878 4.230972 3.955103 6 7 8 9 10 6 C 0.000000 7 H 1.098321 0.000000 8 H 1.098724 1.746801 0.000000 9 H 2.218832 2.556078 2.535270 0.000000 10 H 3.541363 4.242060 4.192517 4.890673 0.000000 11 C 2.845749 2.906620 3.876547 2.702993 3.751202 12 H 2.777573 2.442616 3.762246 2.635638 4.484869 13 C 3.202049 3.419138 4.263959 3.751255 2.702914 14 H 3.450900 3.503743 4.504707 4.484911 2.635540 15 O 3.946768 4.125133 4.860990 3.069371 4.539923 16 O 4.375031 4.730634 5.370778 4.539965 3.069276 17 C 4.822301 5.102287 5.784775 4.312066 4.311974 18 H 5.375479 5.812679 6.234330 4.650768 4.650695 19 H 5.638717 5.754207 6.650027 5.128019 5.127898 20 C 2.518482 3.435023 2.918075 2.134909 3.385366 21 H 3.491877 4.340595 3.773830 2.458074 4.268870 22 C 2.922547 3.886790 3.425330 3.385367 2.134908 23 H 4.009095 4.967675 4.463178 4.268871 2.458071 11 12 13 14 15 11 C 0.000000 12 H 1.081403 0.000000 13 C 1.383400 2.212277 0.000000 14 H 2.212277 2.692453 1.081402 0.000000 15 O 1.392865 2.109943 2.259522 3.257682 0.000000 16 O 2.259511 3.257670 1.392855 2.109941 2.288099 17 C 2.244534 3.161905 2.244524 3.161895 1.420537 18 H 3.089246 4.046424 3.089241 4.046419 2.062529 19 H 2.863259 3.563344 2.863241 3.563323 2.074984 20 C 2.831498 3.464725 3.157517 3.975476 3.067689 21 H 3.427764 4.079440 3.898094 4.831950 3.222909 22 C 3.157508 3.975479 2.831472 3.464688 3.555293 23 H 3.898074 4.831942 3.427728 4.079394 4.010718 16 17 18 19 20 16 O 0.000000 17 C 1.420510 0.000000 18 H 2.062517 1.093570 0.000000 19 H 2.074948 1.104528 1.806985 0.000000 20 C 3.555287 3.694772 3.741905 4.757000 0.000000 21 H 4.010726 3.831137 3.608860 4.888859 1.087078 22 C 3.067646 3.694746 3.741884 4.756968 1.411436 23 H 3.222850 3.831088 3.608818 4.888798 2.167298 21 22 23 21 H 0.000000 22 C 2.167299 0.000000 23 H 2.490687 1.087078 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.101125 1.365022 0.299959 2 6 0 1.104771 -1.367632 0.273721 3 6 0 2.081784 0.788348 -0.699968 4 1 0 1.780642 1.190280 -1.676735 5 1 0 3.107313 1.149262 -0.541139 6 6 0 2.083862 -0.769244 -0.714923 7 1 0 1.987158 -1.152494 -1.739655 8 1 0 3.058134 -1.132420 -0.359828 9 1 0 0.967369 -2.446246 0.214768 10 1 0 0.960832 2.444197 0.261730 11 6 0 -0.754803 -0.684114 -0.896620 12 1 0 -0.448757 -1.330470 -1.707787 13 6 0 -0.756626 0.699220 -0.883320 14 1 0 -0.452293 1.361856 -1.681897 15 8 0 -1.795573 -1.145575 -0.094170 16 8 0 -1.798576 1.142416 -0.072171 17 6 0 -2.587361 -0.005395 0.207466 18 1 0 -2.855570 -0.015946 1.267583 19 1 0 -3.494553 -0.000511 -0.422582 20 6 0 0.814720 -0.718705 1.459813 21 1 0 0.372181 -1.266897 2.287692 22 6 0 0.812839 0.692664 1.473366 23 1 0 0.368856 1.223673 2.311607 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9535068 0.9991554 0.9274959 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 2.080824596030 2.579518596348 0.566840538761 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 2.080824596030 2.579518596348 0.566840538761 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 2.080824596030 2.579518596348 0.566840538761 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 2.080824596030 2.579518596348 0.566840538761 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 2.087715523223 -2.584450220898 0.517257395234 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 2.087715523223 -2.584450220898 0.517257395234 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 2.087715523223 -2.584450220898 0.517257395234 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 2.087715523223 -2.584450220898 0.517257395234 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 3.934001917989 1.489762079190 -1.322748056453 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 3.934001917989 1.489762079190 -1.322748056453 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 3.934001917989 1.489762079190 -1.322748056453 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 3.934001917989 1.489762079190 -1.322748056453 0.8000000000D+00 0.1000000000D+01 Atom H4 Shell 13 S 3 bf 46 - 46 3.364925537684 2.249302976626 -3.168570254949 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H4 Shell 14 S 1 bf 47 - 47 3.364925537684 2.249302976626 -3.168570254949 0.1612777588D+00 0.1000000000D+01 Atom H5 Shell 15 S 3 bf 48 - 48 5.871969740863 2.171790748578 -1.022604723076 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 16 S 1 bf 49 - 49 5.871969740863 2.171790748578 -1.022604723076 0.1612777588D+00 0.1000000000D+01 Atom C6 Shell 17 S 6 bf 50 - 50 3.937929296736 -1.453659899108 -1.351007964455 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 18 SP 3 bf 51 - 54 3.937929296736 -1.453659899108 -1.351007964455 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 19 SP 1 bf 55 - 58 3.937929296736 -1.453659899108 -1.351007964455 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 20 D 1 bf 59 - 64 3.937929296736 -1.453659899108 -1.351007964455 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 21 S 3 bf 65 - 65 3.755184385076 -2.177897248646 -3.287471764998 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 22 S 1 bf 66 - 66 3.755184385076 -2.177897248646 -3.287471764998 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 23 S 3 bf 67 - 67 5.779035858302 -2.139964278447 -0.679977276314 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 24 S 1 bf 68 - 68 5.779035858302 -2.139964278447 -0.679977276314 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 25 S 3 bf 69 - 69 1.828063181195 -4.622734743341 0.405852614009 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 26 S 1 bf 70 - 70 1.828063181195 -4.622734743341 0.405852614009 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 27 S 3 bf 71 - 71 1.815709895301 4.618863492570 0.494597284769 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 28 S 1 bf 72 - 72 1.815709895301 4.618863492570 0.494597284769 0.1612777588D+00 0.1000000000D+01 Atom C11 Shell 29 S 6 bf 73 - 73 -1.426371777525 -1.292788958657 -1.694365742970 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C11 Shell 30 SP 3 bf 74 - 77 -1.426371777525 -1.292788958657 -1.694365742970 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C11 Shell 31 SP 1 bf 78 - 81 -1.426371777525 -1.292788958657 -1.694365742970 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 32 D 1 bf 82 - 87 -1.426371777525 -1.292788958657 -1.694365742970 0.8000000000D+00 0.1000000000D+01 Atom H12 Shell 33 S 3 bf 88 - 88 -0.848027191986 -2.514223699138 -3.227249304338 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 34 S 1 bf 89 - 89 -0.848027191986 -2.514223699138 -3.227249304338 0.1612777588D+00 0.1000000000D+01 Atom C13 Shell 35 S 6 bf 90 - 90 -1.429815096834 1.321335091356 -1.669232774091 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 36 SP 3 bf 91 - 94 -1.429815096834 1.321335091356 -1.669232774091 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 37 SP 1 bf 95 - 98 -1.429815096834 1.321335091356 -1.669232774091 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 38 D 1 bf 99 - 104 -1.429815096834 1.321335091356 -1.669232774091 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 -0.854710186198 2.573535488614 -3.178325454540 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 -0.854710186198 2.573535488614 -3.178325454540 0.1612777588D+00 0.1000000000D+01 Atom O15 Shell 41 S 6 bf 107 - 107 -3.393141257262 -2.164823902553 -0.177955610828 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O15 Shell 42 SP 3 bf 108 - 111 -3.393141257262 -2.164823902553 -0.177955610828 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O15 Shell 43 SP 1 bf 112 - 115 -3.393141257262 -2.164823902553 -0.177955610828 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O15 Shell 44 D 1 bf 116 - 121 -3.393141257262 -2.164823902553 -0.177955610828 0.8000000000D+00 0.1000000000D+01 Atom O16 Shell 45 S 6 bf 122 - 122 -3.398815681331 2.158852988704 -0.136382645449 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O16 Shell 46 SP 3 bf 123 - 126 -3.398815681331 2.158852988704 -0.136382645449 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O16 Shell 47 SP 1 bf 127 - 130 -3.398815681331 2.158852988704 -0.136382645449 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O16 Shell 48 D 1 bf 131 - 136 -3.398815681331 2.158852988704 -0.136382645449 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 -4.889403202285 -0.010194607892 0.392053497274 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 50 SP 3 bf 138 - 141 -4.889403202285 -0.010194607892 0.392053497274 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 51 SP 1 bf 142 - 145 -4.889403202285 -0.010194607892 0.392053497274 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 -4.889403202285 -0.010194607892 0.392053497274 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 -5.396244455584 -0.030132656614 2.395384494976 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 -5.396244455584 -0.030132656614 2.395384494976 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 -6.603748139303 -0.000966561497 -0.798563563711 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 -6.603748139303 -0.000966561497 -0.798563563711 0.1612777588D+00 0.1000000000D+01 Atom C20 Shell 57 S 6 bf 156 - 156 1.539598324418 -1.358155980416 2.758647640935 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C20 Shell 58 SP 3 bf 157 - 160 1.539598324418 -1.358155980416 2.758647640935 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C20 Shell 59 SP 1 bf 161 - 164 1.539598324418 -1.358155980416 2.758647640935 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C20 Shell 60 D 1 bf 165 - 170 1.539598324418 -1.358155980416 2.758647640935 0.8000000000D+00 0.1000000000D+01 Atom H21 Shell 61 S 3 bf 171 - 171 0.703319295680 -2.394087530288 4.323111287302 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 62 S 1 bf 172 - 172 0.703319295680 -2.394087530288 4.323111287302 0.1612777588D+00 0.1000000000D+01 Atom C22 Shell 63 S 6 bf 173 - 173 1.536043763067 1.308946183250 2.784258610383 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C22 Shell 64 SP 3 bf 174 - 177 1.536043763067 1.308946183250 2.784258610383 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C22 Shell 65 SP 1 bf 178 - 181 1.536043763067 1.308946183250 2.784258610383 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C22 Shell 66 D 1 bf 182 - 187 1.536043763067 1.308946183250 2.784258610383 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 0.697037518804 2.312407623333 4.368303843374 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 0.697037518804 2.312407623333 4.368303843374 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 649.1857336998 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.08D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488596219 A.U. after 15 cycles NFock= 15 Conv=0.72D-08 -V/T= 2.0093 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.16828 -19.16788 -10.28596 -10.23735 -10.23663 Alpha occ. eigenvalues -- -10.18639 -10.18613 -10.18529 -10.18417 -10.16917 Alpha occ. eigenvalues -- -10.16867 -1.10205 -1.00634 -0.83080 -0.76107 Alpha occ. eigenvalues -- -0.73606 -0.73029 -0.64142 -0.60788 -0.60690 Alpha occ. eigenvalues -- -0.58538 -0.52878 -0.50062 -0.49479 -0.47091 Alpha occ. eigenvalues -- -0.45295 -0.45138 -0.43979 -0.40985 -0.39733 Alpha occ. eigenvalues -- -0.38863 -0.37954 -0.36229 -0.35092 -0.34578 Alpha occ. eigenvalues -- -0.32836 -0.32236 -0.31691 -0.27454 -0.19628 Alpha occ. eigenvalues -- -0.19040 Alpha virt. eigenvalues -- -0.00454 0.01542 0.08136 0.10926 0.11285 Alpha virt. eigenvalues -- 0.11961 0.13025 0.13421 0.14556 0.15455 Alpha virt. eigenvalues -- 0.16959 0.17135 0.17509 0.17942 0.19674 Alpha virt. eigenvalues -- 0.20308 0.21222 0.23760 0.24444 0.25239 Alpha virt. eigenvalues -- 0.30470 0.31751 0.32881 0.37581 0.43331 Alpha virt. eigenvalues -- 0.47126 0.48258 0.48746 0.50610 0.53100 Alpha virt. eigenvalues -- 0.53447 0.54712 0.57034 0.57337 0.58246 Alpha virt. eigenvalues -- 0.58342 0.60625 0.62638 0.64592 0.65128 Alpha virt. eigenvalues -- 0.67931 0.69320 0.72473 0.73613 0.74683 Alpha virt. eigenvalues -- 0.76615 0.80465 0.81345 0.82451 0.83389 Alpha virt. eigenvalues -- 0.84636 0.85414 0.85970 0.86705 0.88100 Alpha virt. eigenvalues -- 0.88707 0.89398 0.89863 0.90400 0.91944 Alpha virt. eigenvalues -- 0.95009 0.96227 0.97355 0.98664 1.01157 Alpha virt. eigenvalues -- 1.05382 1.07609 1.12041 1.12886 1.13917 Alpha virt. eigenvalues -- 1.14845 1.19743 1.20342 1.25231 1.28992 Alpha virt. eigenvalues -- 1.31269 1.33084 1.39904 1.41408 1.44163 Alpha virt. eigenvalues -- 1.46173 1.48826 1.53265 1.56476 1.58308 Alpha virt. eigenvalues -- 1.62880 1.64407 1.68080 1.72941 1.74571 Alpha virt. eigenvalues -- 1.75832 1.79168 1.85464 1.87232 1.89378 Alpha virt. eigenvalues -- 1.90348 1.94451 1.95931 1.96497 1.98897 Alpha virt. eigenvalues -- 2.01267 2.01535 2.02277 2.05939 2.07651 Alpha virt. eigenvalues -- 2.09965 2.11251 2.18105 2.18364 2.23822 Alpha virt. eigenvalues -- 2.26046 2.27737 2.28229 2.31430 2.32248 Alpha virt. eigenvalues -- 2.37518 2.41371 2.43887 2.45788 2.47115 Alpha virt. eigenvalues -- 2.48230 2.51042 2.54684 2.59113 2.63568 Alpha virt. eigenvalues -- 2.64884 2.67421 2.69232 2.70136 2.75462 Alpha virt. eigenvalues -- 2.76787 2.80346 2.88866 2.89685 2.94333 Alpha virt. eigenvalues -- 3.13281 3.13756 4.01209 4.12327 4.12804 Alpha virt. eigenvalues -- 4.22326 4.28844 4.36077 4.37940 4.44815 Alpha virt. eigenvalues -- 4.50801 4.60284 4.86612 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.16828 -19.16788 -10.28596 -10.23735 -10.23663 1 1 C 1S -0.00002 0.00000 0.00003 -0.00015 0.00021 2 2S -0.00014 0.00001 0.00008 -0.00062 0.00078 3 2PX -0.00005 -0.00001 -0.00004 0.00007 -0.00002 4 2PY 0.00001 0.00001 -0.00004 0.00010 -0.00011 5 2PZ 0.00003 0.00001 0.00002 -0.00003 0.00004 6 3S 0.00103 -0.00022 -0.00056 0.00231 -0.00361 7 3PX 0.00013 0.00007 0.00018 -0.00110 0.00090 8 3PY -0.00042 0.00012 0.00039 -0.00052 0.00119 9 3PZ -0.00031 -0.00010 -0.00028 0.00003 -0.00025 10 4XX 0.00003 -0.00001 0.00004 -0.00005 0.00011 11 4YY -0.00001 -0.00001 0.00003 -0.00025 0.00022 12 4ZZ 0.00000 0.00000 0.00002 -0.00016 0.00018 13 4XY -0.00001 0.00000 -0.00002 0.00012 -0.00011 14 4XZ -0.00001 0.00001 0.00002 0.00011 -0.00007 15 4YZ 0.00002 0.00001 0.00002 0.00000 -0.00001 16 2 C 1S 0.00000 -0.00002 0.00003 -0.00002 -0.00026 17 2S 0.00001 -0.00013 0.00008 -0.00014 -0.00102 18 2PX -0.00001 -0.00005 -0.00004 0.00006 0.00007 19 2PY -0.00001 -0.00001 0.00004 -0.00003 -0.00015 20 2PZ 0.00001 0.00003 0.00002 -0.00001 -0.00006 21 3S -0.00023 0.00100 -0.00053 0.00040 0.00454 22 3PX 0.00007 0.00013 0.00018 -0.00039 -0.00132 23 3PY -0.00011 0.00040 -0.00036 -0.00001 0.00145 24 3PZ -0.00009 -0.00030 -0.00031 -0.00014 0.00023 25 4XX -0.00001 0.00003 0.00004 0.00001 -0.00012 26 4YY -0.00001 -0.00001 0.00003 -0.00010 -0.00032 27 4ZZ 0.00000 -0.00001 0.00002 -0.00004 -0.00024 28 4XY 0.00000 0.00001 0.00002 -0.00004 -0.00015 29 4XZ 0.00001 -0.00001 0.00002 0.00005 0.00011 30 4YZ -0.00001 -0.00002 -0.00002 0.00000 -0.00001 31 3 C 1S 0.00002 -0.00001 -0.00002 -0.00009 0.00003 32 2S 0.00013 -0.00003 -0.00004 -0.00015 0.00005 33 2PX -0.00001 0.00001 0.00004 0.00016 -0.00010 34 2PY -0.00002 -0.00001 0.00004 0.00002 0.00001 35 2PZ -0.00002 0.00000 0.00000 0.00003 0.00004 36 3S -0.00092 0.00024 0.00000 0.00034 0.00059 37 3PX 0.00047 -0.00015 -0.00025 -0.00043 0.00021 38 3PY 0.00007 -0.00016 -0.00018 0.00006 -0.00018 39 3PZ -0.00019 0.00002 0.00008 -0.00029 0.00037 40 4XX 0.00001 -0.00001 -0.00002 -0.00007 0.00004 41 4YY 0.00002 0.00000 -0.00003 -0.00007 0.00003 42 4ZZ 0.00002 0.00000 -0.00002 -0.00004 0.00002 43 4XY 0.00001 0.00001 0.00000 -0.00003 -0.00002 44 4XZ 0.00003 0.00000 -0.00002 0.00002 -0.00001 45 4YZ 0.00000 0.00000 -0.00002 0.00003 -0.00005 46 4 H 1S 0.00007 -0.00002 -0.00003 -0.00005 0.00002 47 2S -0.00004 0.00002 0.00009 -0.00041 0.00013 48 5 H 1S 0.00000 0.00001 0.00003 0.00000 -0.00004 49 2S -0.00010 0.00005 0.00013 0.00034 -0.00025 50 6 C 1S -0.00001 0.00002 -0.00002 -0.00004 -0.00006 51 2S -0.00003 0.00013 -0.00005 -0.00003 -0.00007 52 2PX 0.00002 0.00000 0.00004 0.00008 0.00017 53 2PY 0.00002 0.00001 -0.00004 -0.00003 0.00000 54 2PZ 0.00000 -0.00002 0.00000 0.00006 0.00001 55 3S 0.00025 -0.00094 0.00004 0.00007 -0.00060 56 3PX -0.00017 0.00042 -0.00018 -0.00017 -0.00032 57 3PY 0.00016 -0.00005 0.00016 0.00000 -0.00019 58 3PZ 0.00001 -0.00017 0.00004 -0.00023 -0.00067 59 4XX -0.00001 0.00001 -0.00002 -0.00003 -0.00006 60 4YY 0.00000 0.00003 -0.00004 -0.00003 -0.00005 61 4ZZ 0.00000 0.00002 -0.00002 -0.00001 -0.00003 62 4XY -0.00001 0.00000 0.00000 0.00003 0.00000 63 4XZ 0.00000 0.00003 -0.00002 0.00001 0.00001 64 4YZ 0.00000 0.00000 0.00001 -0.00001 -0.00005 65 7 H 1S -0.00002 0.00006 -0.00002 -0.00001 -0.00004 66 2S 0.00001 -0.00002 0.00005 -0.00028 -0.00038 67 8 H 1S 0.00001 0.00001 0.00002 0.00000 0.00005 68 2S 0.00006 -0.00007 0.00008 0.00026 0.00046 69 9 H 1S 0.00000 0.00000 0.00000 -0.00004 -0.00010 70 2S -0.00001 0.00006 -0.00012 -0.00006 -0.00006 71 10 H 1S 0.00000 0.00000 0.00000 -0.00009 0.00007 72 2S 0.00007 -0.00002 -0.00013 -0.00015 0.00005 73 11 C 1S -0.00001 0.00000 -0.00012 0.47919 0.86980 74 2S 0.00006 0.00029 -0.00037 0.02335 0.04384 75 2PX 0.00005 -0.00025 -0.00006 -0.00031 -0.00042 76 2PY -0.00002 -0.00015 -0.00013 -0.00029 -0.00002 77 2PZ -0.00003 0.00022 0.00003 0.00033 0.00073 78 3S 0.00023 -0.00207 0.00098 -0.00180 -0.02022 79 3PX -0.00050 0.00101 -0.00083 -0.00006 -0.00003 80 3PY 0.00001 0.00069 0.00051 0.00174 -0.00413 81 3PZ 0.00043 -0.00093 0.00070 0.00011 -0.00262 82 4XX -0.00002 0.00010 0.00012 -0.00443 -0.00764 83 4YY -0.00011 0.00009 -0.00003 -0.00454 -0.00745 84 4ZZ -0.00005 0.00004 -0.00006 -0.00441 -0.00759 85 4XY 0.00002 0.00007 -0.00004 0.00010 -0.00001 86 4XZ 0.00002 -0.00007 -0.00017 -0.00013 -0.00025 87 4YZ -0.00003 -0.00007 -0.00001 0.00007 0.00003 88 12 H 1S 0.00007 0.00009 0.00006 -0.00023 -0.00015 89 2S 0.00010 0.00000 0.00032 0.00130 0.00128 90 13 C 1S 0.00001 -0.00001 -0.00012 0.86957 -0.47961 91 2S 0.00029 0.00007 -0.00038 0.04313 -0.02460 92 2PX -0.00025 0.00005 -0.00006 -0.00050 0.00020 93 2PY 0.00015 0.00003 0.00013 0.00025 0.00014 94 2PZ 0.00023 -0.00003 0.00003 0.00067 -0.00044 95 3S -0.00209 0.00021 0.00101 -0.01217 0.01615 96 3PX 0.00103 -0.00048 -0.00086 -0.00003 0.00000 97 3PY -0.00067 -0.00003 -0.00051 0.00068 -0.00447 98 3PZ -0.00096 0.00042 0.00071 -0.00123 0.00219 99 4XX 0.00010 -0.00002 0.00012 -0.00783 0.00410 100 4YY 0.00009 -0.00011 -0.00003 -0.00781 0.00388 101 4ZZ 0.00005 -0.00005 -0.00006 -0.00779 0.00407 102 4XY -0.00007 -0.00002 0.00004 -0.00008 -0.00007 103 4XZ -0.00007 0.00001 -0.00017 -0.00024 0.00014 104 4YZ 0.00007 0.00003 0.00001 -0.00008 -0.00002 105 14 H 1S 0.00009 0.00007 0.00007 -0.00029 0.00001 106 2S 0.00001 0.00010 0.00031 0.00183 -0.00040 107 15 O 1S -0.00575 0.99269 -0.00006 0.00001 -0.00013 108 2S -0.00007 0.02575 0.00004 0.00019 -0.00027 109 2PX -0.00001 0.00012 0.00010 -0.00008 -0.00010 110 2PY -0.00003 0.00088 0.00000 0.00005 -0.00002 111 2PZ 0.00000 -0.00031 -0.00005 0.00002 0.00004 112 3S -0.00034 0.01314 0.00096 -0.00097 0.00311 113 3PX -0.00006 0.00030 -0.00058 0.00028 0.00063 114 3PY 0.00009 0.00039 -0.00045 -0.00076 0.00002 115 3PZ 0.00009 -0.00019 0.00038 0.00014 0.00003 116 4XX 0.00005 -0.00822 -0.00014 -0.00005 -0.00037 117 4YY 0.00001 -0.00829 -0.00049 0.00009 -0.00036 118 4ZZ 0.00010 -0.00820 0.00005 0.00004 -0.00033 119 4XY -0.00001 0.00003 0.00025 0.00001 -0.00017 120 4XZ 0.00001 0.00003 0.00018 0.00019 0.00044 121 4YZ 0.00000 0.00001 -0.00005 0.00010 0.00017 122 16 O 1S 0.99269 0.00576 -0.00006 -0.00006 0.00011 123 2S 0.02575 0.00023 0.00005 0.00002 0.00032 124 2PX 0.00013 -0.00001 0.00010 -0.00012 0.00004 125 2PY -0.00087 0.00002 0.00000 -0.00003 -0.00004 126 2PZ -0.00032 0.00000 -0.00005 0.00004 -0.00003 127 3S 0.01317 -0.00018 0.00092 0.00082 -0.00314 128 3PX 0.00031 -0.00006 -0.00059 0.00055 -0.00038 129 3PY -0.00038 -0.00009 0.00045 0.00063 0.00042 130 3PZ -0.00021 0.00008 0.00040 0.00015 0.00006 131 4XX -0.00822 -0.00004 -0.00014 -0.00024 0.00029 132 4YY -0.00829 -0.00008 -0.00049 -0.00011 0.00034 133 4ZZ -0.00820 0.00000 0.00005 -0.00014 0.00030 134 4XY -0.00003 0.00001 -0.00026 0.00007 -0.00014 135 4XZ 0.00003 0.00001 0.00017 0.00040 -0.00028 136 4YZ -0.00001 0.00000 0.00004 -0.00017 0.00010 137 17 C 1S 0.00001 0.00001 0.99303 0.00002 0.00001 138 2S 0.00026 0.00026 0.04865 -0.00051 -0.00015 139 2PX 0.00019 0.00019 0.00093 0.00013 0.00004 140 2PY 0.00031 -0.00031 0.00001 -0.00002 0.00005 141 2PZ -0.00005 -0.00005 -0.00040 -0.00001 0.00000 142 3S -0.00194 -0.00197 -0.01346 0.00258 0.00074 143 3PX -0.00057 -0.00058 -0.00021 0.00121 0.00035 144 3PY -0.00084 0.00083 -0.00001 0.00000 0.00003 145 3PZ 0.00007 0.00009 0.00041 -0.00111 -0.00032 146 4XX 0.00010 0.00011 -0.00874 0.00017 0.00005 147 4YY 0.00027 0.00027 -0.00875 0.00004 0.00001 148 4ZZ 0.00002 0.00002 -0.00880 -0.00008 -0.00002 149 4XY 0.00013 -0.00013 0.00000 0.00001 -0.00004 150 4XZ -0.00004 -0.00004 -0.00006 -0.00016 -0.00005 151 4YZ -0.00004 0.00004 0.00000 -0.00001 0.00006 152 18 H 1S 0.00012 0.00012 -0.00017 -0.00001 0.00000 153 2S 0.00010 0.00010 0.00248 0.00023 0.00006 154 19 H 1S 0.00009 0.00009 -0.00010 -0.00020 -0.00006 155 2S -0.00001 -0.00001 0.00276 -0.00013 -0.00004 156 20 C 1S -0.00001 0.00003 -0.00001 -0.00011 -0.00018 157 2S -0.00005 0.00007 -0.00003 -0.00011 -0.00037 158 2PX 0.00001 -0.00007 0.00004 0.00008 0.00007 159 2PY 0.00000 -0.00001 -0.00001 -0.00006 0.00001 160 2PZ 0.00000 -0.00003 -0.00004 0.00010 0.00018 161 3S 0.00062 -0.00074 0.00055 -0.00001 0.00040 162 3PX -0.00005 0.00009 -0.00004 -0.00006 -0.00045 163 3PY 0.00019 -0.00022 -0.00013 -0.00016 0.00108 164 3PZ -0.00016 0.00028 -0.00013 -0.00020 0.00052 165 4XX -0.00002 0.00008 -0.00003 -0.00010 -0.00019 166 4YY -0.00001 0.00005 -0.00001 -0.00009 -0.00016 167 4ZZ -0.00001 0.00004 0.00000 -0.00010 -0.00017 168 4XY -0.00002 0.00001 0.00001 -0.00002 -0.00008 169 4XZ 0.00000 0.00002 -0.00002 0.00003 0.00003 170 4YZ -0.00001 0.00001 0.00000 0.00004 0.00001 171 21 H 1S -0.00002 0.00004 -0.00003 0.00005 0.00000 172 2S 0.00002 -0.00005 -0.00005 -0.00011 -0.00017 173 22 C 1S 0.00003 -0.00001 -0.00001 -0.00019 0.00009 174 2S 0.00007 -0.00005 -0.00003 -0.00030 0.00025 175 2PX -0.00007 0.00001 0.00004 0.00010 -0.00002 176 2PY 0.00001 0.00000 0.00001 0.00004 0.00004 177 2PZ -0.00003 0.00000 -0.00004 0.00017 -0.00010 178 3S -0.00076 0.00061 0.00056 0.00043 -0.00032 179 3PX 0.00009 -0.00005 -0.00004 -0.00023 0.00036 180 3PY 0.00023 -0.00017 0.00011 -0.00051 0.00100 181 3PZ 0.00030 -0.00016 -0.00013 -0.00001 -0.00054 182 4XX 0.00009 -0.00002 -0.00003 -0.00019 0.00010 183 4YY 0.00005 -0.00001 -0.00001 -0.00016 0.00009 184 4ZZ 0.00004 -0.00001 0.00001 -0.00017 0.00008 185 4XY -0.00001 0.00002 -0.00001 0.00006 -0.00006 186 4XZ 0.00002 0.00000 -0.00001 0.00004 -0.00001 187 4YZ -0.00001 0.00001 0.00000 -0.00004 -0.00002 188 23 H 1S 0.00004 -0.00002 -0.00003 0.00005 0.00003 189 2S -0.00006 0.00002 -0.00005 -0.00015 0.00009 6 7 8 9 10 O O O O O Eigenvalues -- -10.18639 -10.18613 -10.18529 -10.18417 -10.16917 1 1 C 1S -0.00165 0.00843 0.10511 0.98739 -0.01620 2 2S -0.00085 0.00103 0.00506 0.05049 -0.00102 3 2PX -0.00001 -0.00012 -0.00005 -0.00013 -0.00002 4 2PY 0.00025 -0.00014 0.00005 -0.00045 0.00008 5 2PZ 0.00013 0.00002 -0.00002 -0.00023 -0.00023 6 3S 0.00497 -0.00503 0.00291 -0.02519 0.00312 7 3PX 0.00014 -0.00003 0.00180 -0.00014 -0.00026 8 3PY -0.00277 0.00283 -0.00125 0.00563 -0.00079 9 3PZ 0.00018 -0.00044 -0.00181 0.00001 0.00143 10 4XX -0.00025 0.00008 -0.00125 -0.00878 0.00010 11 4YY -0.00016 0.00011 -0.00107 -0.00848 0.00013 12 4ZZ -0.00021 0.00002 -0.00117 -0.00856 -0.00005 13 4XY 0.00001 0.00001 0.00003 -0.00005 -0.00001 14 4XZ -0.00008 0.00006 0.00011 -0.00009 0.00004 15 4YZ -0.00003 0.00003 -0.00010 -0.00007 0.00004 16 2 C 1S 0.80911 -0.57559 0.01279 0.00446 -0.01096 17 2S 0.04120 -0.02963 0.00064 -0.00076 -0.00072 18 2PX -0.00012 0.00006 -0.00010 0.00008 -0.00001 19 2PY 0.00031 -0.00035 -0.00005 -0.00028 -0.00006 20 2PZ -0.00014 0.00016 0.00009 0.00008 -0.00021 21 3S -0.01735 0.01833 -0.00158 0.00698 0.00180 22 3PX 0.00103 0.00134 -0.00022 0.00017 -0.00032 23 3PY -0.00360 0.00443 -0.00058 0.00398 0.00029 24 3PZ -0.00140 -0.00134 0.00026 0.00045 0.00115 25 4XX -0.00739 0.00490 -0.00012 -0.00035 0.00005 26 4YY -0.00704 0.00483 -0.00006 -0.00030 0.00012 27 4ZZ -0.00719 0.00479 -0.00014 -0.00028 -0.00003 28 4XY 0.00001 -0.00005 -0.00001 0.00000 -0.00001 29 4XZ 0.00001 0.00015 -0.00003 -0.00009 0.00003 30 4YZ 0.00012 0.00002 -0.00001 0.00004 -0.00002 31 3 C 1S 0.04569 0.08516 0.98274 -0.10556 0.00028 32 2S 0.00220 0.00374 0.04986 -0.00593 -0.00017 33 2PX 0.00011 -0.00009 -0.00020 -0.00005 -0.00002 34 2PY 0.00008 0.00000 -0.00003 -0.00007 0.00004 35 2PZ -0.00006 0.00004 -0.00001 -0.00002 -0.00011 36 3S -0.00045 0.00623 -0.02123 0.01090 0.00037 37 3PX 0.00047 -0.00088 0.00172 -0.00252 0.00001 38 3PY -0.00072 -0.00276 0.00144 -0.00059 0.00005 39 3PZ -0.00091 0.00116 -0.00060 0.00276 0.00035 40 4XX -0.00054 -0.00088 -0.00868 0.00076 -0.00005 41 4YY -0.00068 -0.00116 -0.00883 0.00074 -0.00006 42 4ZZ -0.00054 -0.00091 -0.00874 0.00066 -0.00004 43 4XY 0.00002 0.00004 0.00003 0.00018 -0.00001 44 4XZ 0.00001 -0.00001 0.00012 0.00009 -0.00007 45 4YZ -0.00001 -0.00006 0.00000 -0.00018 0.00000 46 4 H 1S -0.00007 -0.00026 0.00021 -0.00022 0.00001 47 2S -0.00006 0.00033 0.00303 -0.00024 0.00024 48 5 H 1S 0.00000 -0.00028 0.00002 -0.00034 -0.00003 49 2S 0.00010 0.00017 0.00243 -0.00011 -0.00016 50 6 C 1S 0.57371 0.80487 -0.09631 0.00440 0.00021 51 2S 0.02864 0.04111 -0.00540 0.00053 -0.00017 52 2PX -0.00013 -0.00004 0.00005 0.00013 -0.00002 53 2PY 0.00005 -0.00004 -0.00005 -0.00005 -0.00004 54 2PZ 0.00002 0.00010 -0.00001 -0.00007 -0.00010 55 3S -0.00525 -0.02177 0.00856 -0.00503 0.00063 56 3PX -0.00115 0.00233 -0.00081 0.00099 -0.00008 57 3PY -0.00020 -0.00100 0.00275 -0.00131 -0.00003 58 3PZ 0.00152 -0.00277 0.00041 -0.00151 0.00047 59 4XX -0.00524 -0.00707 0.00065 -0.00006 -0.00004 60 4YY -0.00536 -0.00718 0.00040 0.00002 -0.00005 61 4ZZ -0.00528 -0.00697 0.00067 -0.00004 -0.00004 62 4XY -0.00016 0.00011 -0.00007 0.00002 0.00001 63 4XZ 0.00014 0.00003 -0.00003 0.00001 -0.00005 64 4YZ 0.00014 -0.00009 0.00001 0.00000 -0.00001 65 7 H 1S -0.00010 0.00016 -0.00027 0.00009 0.00000 66 2S 0.00175 0.00199 -0.00037 -0.00017 0.00023 67 8 H 1S -0.00021 0.00029 -0.00022 0.00021 -0.00007 68 2S 0.00171 0.00215 -0.00026 0.00004 -0.00014 69 9 H 1S -0.00023 0.00004 -0.00002 0.00005 -0.00003 70 2S 0.00129 -0.00061 0.00010 0.00100 0.00001 71 10 H 1S 0.00001 -0.00007 -0.00011 -0.00019 -0.00003 72 2S 0.00079 -0.00055 0.00044 0.00139 0.00006 73 11 C 1S -0.00016 0.00015 0.00000 0.00006 0.00001 74 2S -0.00106 0.00083 -0.00003 0.00055 -0.00022 75 2PX -0.00022 0.00002 -0.00002 0.00005 -0.00006 76 2PY 0.00006 0.00002 -0.00001 -0.00009 -0.00017 77 2PZ -0.00002 0.00009 -0.00003 0.00004 -0.00018 78 3S 0.00647 -0.00580 0.00066 -0.00514 0.00032 79 3PX 0.00148 0.00086 -0.00089 0.00004 -0.00017 80 3PY 0.00051 -0.00081 0.00022 -0.00181 0.00021 81 3PZ 0.00152 -0.00319 0.00106 -0.00217 0.00068 82 4XX -0.00011 -0.00008 0.00002 0.00002 -0.00014 83 4YY -0.00029 0.00012 0.00003 0.00008 -0.00013 84 4ZZ -0.00027 0.00006 -0.00001 0.00007 -0.00014 85 4XY -0.00002 0.00000 -0.00004 -0.00007 0.00003 86 4XZ 0.00009 0.00004 -0.00002 0.00004 -0.00004 87 4YZ 0.00002 0.00008 0.00000 -0.00006 -0.00007 88 12 H 1S -0.00028 -0.00001 0.00014 0.00002 0.00006 89 2S -0.00046 -0.00073 0.00030 -0.00053 0.00036 90 13 C 1S 0.00005 -0.00003 0.00001 -0.00022 0.00000 91 2S 0.00042 -0.00037 -0.00012 -0.00133 -0.00032 92 2PX 0.00001 -0.00006 -0.00013 -0.00018 -0.00007 93 2PY 0.00007 -0.00006 -0.00006 -0.00003 0.00017 94 2PZ 0.00002 -0.00004 0.00007 -0.00008 -0.00023 95 3S -0.00367 0.00368 0.00013 0.00860 0.00119 96 3PX -0.00039 -0.00045 0.00172 0.00052 -0.00049 97 3PY 0.00126 -0.00133 0.00053 -0.00099 -0.00065 98 3PZ -0.00114 0.00188 -0.00161 0.00327 0.00125 99 4XX 0.00001 -0.00002 -0.00015 -0.00002 -0.00016 100 4YY 0.00008 -0.00004 -0.00013 -0.00029 -0.00015 101 4ZZ 0.00004 -0.00007 -0.00015 -0.00023 -0.00017 102 4XY 0.00008 -0.00002 0.00000 0.00001 -0.00004 103 4XZ 0.00003 -0.00002 0.00008 0.00005 -0.00007 104 4YZ 0.00004 -0.00005 -0.00006 0.00004 0.00006 105 14 H 1S 0.00009 0.00006 -0.00020 -0.00021 0.00009 106 2S -0.00028 0.00043 -0.00121 0.00022 0.00061 107 15 O 1S 0.00004 -0.00012 0.00003 -0.00003 0.00004 108 2S 0.00022 -0.00059 0.00014 -0.00019 0.00023 109 2PX 0.00003 -0.00005 0.00001 -0.00003 -0.00002 110 2PY 0.00002 -0.00002 0.00000 0.00000 0.00003 111 2PZ -0.00001 0.00003 -0.00001 -0.00002 -0.00002 112 3S -0.00148 0.00359 -0.00098 0.00143 -0.00127 113 3PX -0.00066 0.00128 -0.00027 0.00069 -0.00012 114 3PY -0.00022 0.00048 -0.00009 0.00023 -0.00049 115 3PZ 0.00017 -0.00060 0.00018 -0.00008 0.00005 116 4XX 0.00003 -0.00019 0.00005 0.00001 0.00010 117 4YY 0.00010 -0.00034 0.00009 -0.00012 0.00000 118 4ZZ 0.00017 -0.00037 0.00008 -0.00010 0.00014 119 4XY -0.00001 0.00008 -0.00001 0.00004 -0.00002 120 4XZ 0.00000 -0.00007 0.00000 -0.00001 0.00003 121 4YZ -0.00003 -0.00003 0.00001 -0.00002 -0.00001 122 16 O 1S -0.00002 0.00003 -0.00006 0.00011 0.00004 123 2S -0.00010 0.00017 -0.00028 0.00055 0.00026 124 2PX -0.00002 0.00002 -0.00002 0.00005 -0.00004 125 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00002 126 2PZ -0.00002 0.00001 0.00001 -0.00003 -0.00004 127 3S 0.00072 -0.00132 0.00167 -0.00348 -0.00159 128 3PX 0.00044 -0.00054 0.00050 -0.00134 -0.00022 129 3PY -0.00015 0.00017 -0.00021 0.00047 0.00054 130 3PZ -0.00001 0.00013 -0.00031 0.00054 0.00016 131 4XX 0.00002 0.00001 -0.00011 0.00015 0.00008 132 4YY -0.00006 0.00011 -0.00018 0.00030 0.00000 133 4ZZ -0.00005 0.00009 -0.00016 0.00037 0.00014 134 4XY -0.00003 0.00002 -0.00006 0.00006 0.00003 135 4XZ -0.00001 0.00000 -0.00004 0.00005 0.00003 136 4YZ 0.00001 -0.00001 0.00004 0.00000 0.00000 137 17 C 1S 0.00000 -0.00001 0.00000 0.00000 0.00001 138 2S -0.00001 -0.00008 -0.00004 0.00005 0.00000 139 2PX 0.00004 -0.00005 0.00000 0.00007 -0.00002 140 2PY -0.00003 0.00004 -0.00002 0.00005 0.00000 141 2PZ 0.00004 0.00000 0.00002 0.00003 -0.00011 142 3S 0.00007 0.00022 0.00014 -0.00009 0.00049 143 3PX -0.00003 0.00011 0.00004 -0.00010 0.00051 144 3PY 0.00012 -0.00022 0.00010 -0.00023 -0.00002 145 3PZ -0.00036 0.00009 -0.00013 -0.00034 0.00033 146 4XX 0.00003 -0.00004 0.00000 0.00004 -0.00002 147 4YY 0.00001 -0.00001 0.00000 0.00001 0.00007 148 4ZZ 0.00001 -0.00004 -0.00001 0.00004 -0.00002 149 4XY -0.00002 0.00000 0.00001 0.00001 0.00000 150 4XZ 0.00000 -0.00001 -0.00001 0.00000 -0.00004 151 4YZ -0.00001 0.00000 0.00000 0.00001 0.00000 152 18 H 1S 0.00003 -0.00002 0.00001 0.00003 -0.00008 153 2S 0.00019 -0.00007 0.00006 0.00020 -0.00018 154 19 H 1S -0.00004 0.00001 -0.00002 -0.00004 0.00002 155 2S -0.00013 0.00004 -0.00004 -0.00013 0.00029 156 20 C 1S 0.01393 -0.01040 0.00024 0.00032 0.60661 157 2S 0.00015 -0.00048 0.00003 -0.00003 0.03007 158 2PX -0.00015 0.00003 -0.00003 0.00002 -0.00013 159 2PY 0.00011 -0.00011 -0.00007 -0.00003 -0.00015 160 2PZ 0.00018 0.00007 -0.00001 0.00012 -0.00021 161 3S 0.00757 -0.00492 0.00025 -0.00446 -0.00551 162 3PX 0.00141 -0.00099 0.00009 -0.00111 0.00016 163 3PY -0.00035 -0.00013 0.00022 -0.00055 0.00112 164 3PZ -0.00415 0.00229 0.00010 0.00262 0.00068 165 4XX -0.00027 0.00005 -0.00001 -0.00005 -0.00582 166 4YY -0.00029 0.00013 0.00003 0.00004 -0.00592 167 4ZZ -0.00027 0.00013 -0.00001 -0.00004 -0.00573 168 4XY 0.00007 0.00001 -0.00002 -0.00002 0.00001 169 4XZ 0.00000 -0.00006 -0.00001 0.00000 -0.00009 170 4YZ -0.00012 0.00015 0.00003 -0.00004 -0.00002 171 21 H 1S -0.00002 0.00000 0.00000 -0.00010 -0.00027 172 2S 0.00088 -0.00030 0.00003 -0.00052 0.00126 173 22 C 1S 0.00007 -0.00002 0.00171 0.01989 0.78553 174 2S -0.00005 -0.00001 -0.00021 0.00054 0.03915 175 2PX 0.00000 -0.00005 -0.00007 -0.00014 -0.00016 176 2PY 0.00007 0.00005 -0.00002 -0.00015 0.00007 177 2PZ 0.00009 -0.00006 0.00017 0.00009 -0.00027 178 3S -0.00321 0.00318 0.00083 0.00892 -0.01002 179 3PX -0.00079 0.00081 0.00006 0.00174 0.00007 180 3PY 0.00029 -0.00038 0.00043 0.00022 -0.00024 181 3PZ 0.00203 -0.00174 -0.00077 -0.00467 0.00147 182 4XX -0.00005 0.00000 -0.00013 -0.00027 -0.00747 183 4YY 0.00005 -0.00002 -0.00009 -0.00033 -0.00746 184 4ZZ -0.00003 0.00000 -0.00009 -0.00031 -0.00734 185 4XY 0.00002 0.00000 -0.00006 -0.00005 -0.00002 186 4XZ -0.00001 -0.00002 -0.00003 0.00003 -0.00012 187 4YZ 0.00000 -0.00006 -0.00002 0.00018 -0.00001 188 23 H 1S -0.00008 0.00006 -0.00002 -0.00002 -0.00033 189 2S -0.00036 0.00040 0.00027 0.00090 0.00145 11 12 13 14 15 O O O O O Eigenvalues -- -10.16867 -1.10205 -1.00634 -0.83080 -0.76107 1 1 C 1S 0.01218 -0.00221 0.00284 -0.09003 0.01354 2 2S 0.00056 0.00214 -0.00015 0.16793 -0.02687 3 2PX 0.00005 -0.00172 0.00172 0.01423 -0.01365 4 2PY -0.00004 -0.00065 -0.00048 -0.04652 0.00959 5 2PZ 0.00007 -0.00017 0.00042 0.01562 -0.01480 6 3S -0.00342 0.00858 -0.02454 0.12831 -0.01456 7 3PX -0.00003 -0.00073 0.00461 0.00238 -0.00131 8 3PY 0.00110 -0.00341 0.01182 -0.01267 -0.00034 9 3PZ -0.00095 -0.00220 -0.00103 -0.00451 -0.00754 10 4XX -0.00013 0.00012 0.00000 -0.00596 0.00180 11 4YY 0.00000 -0.00037 0.00082 0.00092 -0.00042 12 4ZZ 0.00012 -0.00033 0.00063 -0.00004 -0.00053 13 4XY 0.00005 0.00009 -0.00019 -0.00227 0.00101 14 4XZ -0.00005 -0.00003 0.00010 -0.00569 0.00197 15 4YZ -0.00006 0.00002 0.00014 -0.00223 0.00147 16 2 C 1S -0.01386 -0.00219 -0.00284 -0.09171 0.01651 17 2S -0.00068 0.00221 0.00022 0.17110 -0.03254 18 2PX -0.00005 -0.00175 -0.00176 0.01530 -0.01458 19 2PY -0.00005 0.00066 -0.00044 0.04659 -0.00963 20 2PZ -0.00013 -0.00014 -0.00041 0.01745 -0.01516 21 3S 0.00392 0.00764 0.02394 0.13186 -0.01952 22 3PX -0.00007 -0.00085 -0.00464 0.00291 -0.00157 23 3PY 0.00114 0.00284 0.01107 0.01305 0.00036 24 3PZ 0.00131 -0.00184 0.00140 -0.00284 -0.00716 25 4XX 0.00013 0.00014 0.00002 -0.00592 0.00195 26 4YY 0.00003 -0.00037 -0.00083 0.00076 -0.00031 27 4ZZ -0.00015 -0.00034 -0.00065 -0.00015 -0.00053 28 4XY 0.00005 -0.00010 -0.00020 0.00242 -0.00111 29 4XZ 0.00006 -0.00002 -0.00009 -0.00570 0.00211 30 4YZ -0.00007 -0.00001 0.00014 0.00231 -0.00149 31 3 C 1S -0.00016 -0.00041 0.00006 -0.08445 0.01732 32 2S 0.00015 0.00222 -0.00291 0.15922 -0.03153 33 2PX -0.00002 -0.00114 0.00097 -0.02500 -0.00369 34 2PY 0.00004 -0.00048 -0.00036 -0.02014 0.00587 35 2PZ 0.00007 0.00005 0.00023 0.02544 -0.00824 36 3S -0.00029 -0.00404 0.01549 0.11358 -0.03413 37 3PX -0.00005 0.00452 -0.00961 -0.00164 0.00111 38 3PY 0.00020 0.00040 -0.00678 -0.00444 -0.00037 39 3PZ -0.00029 -0.00086 0.00108 0.00163 -0.00170 40 4XX 0.00003 0.00019 -0.00021 -0.00073 0.00097 41 4YY 0.00003 0.00033 -0.00007 0.00173 -0.00037 42 4ZZ 0.00003 0.00024 -0.00023 -0.00048 0.00015 43 4XY 0.00000 0.00015 0.00018 -0.00030 0.00017 44 4XZ 0.00003 0.00012 -0.00018 -0.00257 0.00075 45 4YZ 0.00005 0.00008 -0.00012 -0.00015 0.00009 46 4 H 1S 0.00000 0.00088 -0.00147 0.04079 -0.00480 47 2S -0.00021 0.00008 0.00015 0.00550 0.00319 48 5 H 1S 0.00004 -0.00002 0.00011 0.03946 -0.01112 49 2S 0.00008 -0.00181 0.00327 0.00422 -0.00246 50 6 C 1S 0.00020 -0.00039 -0.00003 -0.08553 0.01950 51 2S -0.00022 0.00220 0.00292 0.16098 -0.03576 52 2PX 0.00002 -0.00104 -0.00087 -0.02216 -0.00344 53 2PY 0.00002 0.00045 -0.00042 0.01863 -0.00362 54 2PZ -0.00010 0.00003 -0.00029 0.02971 -0.00964 55 3S 0.00051 -0.00400 -0.01593 0.11652 -0.03727 56 3PX -0.00002 0.00328 0.00881 0.00025 -0.00030 57 3PY 0.00018 -0.00004 -0.00645 0.00409 0.00038 58 3PZ 0.00046 -0.00015 -0.00051 0.00459 -0.00354 59 4XX -0.00004 0.00020 0.00022 -0.00144 0.00106 60 4YY -0.00005 0.00036 0.00010 0.00158 -0.00012 61 4ZZ -0.00003 0.00029 0.00029 0.00031 -0.00012 62 4XY 0.00001 -0.00015 0.00024 -0.00013 -0.00013 63 4XZ -0.00004 0.00011 0.00022 -0.00256 0.00069 64 4YZ 0.00004 -0.00007 -0.00014 -0.00037 0.00009 65 7 H 1S 0.00000 0.00064 0.00119 0.03885 -0.00734 66 2S 0.00026 0.00059 0.00039 0.00601 0.00090 67 8 H 1S -0.00009 0.00007 0.00001 0.04295 -0.01321 68 2S -0.00008 -0.00103 -0.00264 0.00354 -0.00212 69 9 H 1S 0.00000 0.00048 0.00092 0.03736 -0.00585 70 2S 0.00001 0.00143 0.00332 0.00571 -0.00032 71 10 H 1S -0.00001 0.00049 -0.00094 0.03655 -0.00413 72 2S -0.00002 0.00162 -0.00364 0.00562 -0.00003 73 11 C 1S -0.00004 -0.05683 -0.04439 -0.02668 -0.12456 74 2S -0.00048 0.10569 0.08772 0.05381 0.25008 75 2PX -0.00005 -0.06049 -0.06094 0.01598 -0.01424 76 2PY 0.00000 0.00945 -0.04468 0.01435 0.07178 77 2PZ -0.00024 0.04384 0.04472 0.00198 -0.00886 78 3S 0.00403 0.03650 -0.01180 0.03277 0.17694 79 3PX -0.00121 0.00330 0.02166 0.00348 0.00527 80 3PY 0.00192 -0.00069 -0.01822 0.00234 0.00966 81 3PZ 0.00259 -0.00625 -0.03026 -0.00061 -0.00881 82 4XX -0.00011 0.00422 0.00654 -0.00155 -0.01040 83 4YY -0.00010 -0.00140 -0.00856 0.00139 0.00621 84 4ZZ -0.00016 -0.00127 0.00157 -0.00082 -0.00703 85 4XY 0.00006 0.00198 0.00607 -0.00005 -0.00007 86 4XZ -0.00010 -0.01130 -0.01150 0.00048 -0.00503 87 4YZ 0.00003 -0.00109 -0.00386 0.00096 0.00240 88 12 H 1S 0.00014 0.01240 0.01391 0.01606 0.06929 89 2S 0.00115 -0.00541 -0.01046 0.00403 0.01120 90 13 C 1S 0.00004 -0.05696 0.04421 -0.02678 -0.12499 91 2S 0.00041 0.10600 -0.08746 0.05405 0.25090 92 2PX 0.00003 -0.06067 0.06090 0.01606 -0.01380 93 2PY 0.00004 -0.01033 -0.04373 -0.01423 -0.07116 94 2PZ 0.00019 0.04377 -0.04545 0.00162 -0.01032 95 3S -0.00384 0.03614 0.01222 0.03244 0.17805 96 3PX 0.00114 0.00367 -0.02175 0.00442 0.00591 97 3PY 0.00185 0.00082 -0.01879 -0.00257 -0.00946 98 3PZ -0.00230 -0.00665 0.03005 -0.00167 -0.00950 99 4XX 0.00008 0.00424 -0.00654 -0.00161 -0.01044 100 4YY 0.00006 -0.00147 0.00870 0.00141 0.00623 101 4ZZ 0.00012 -0.00124 -0.00169 -0.00089 -0.00712 102 4XY 0.00005 -0.00176 0.00580 0.00003 0.00013 103 4XZ 0.00009 -0.01136 0.01158 0.00051 -0.00502 104 4YZ 0.00004 0.00105 -0.00359 -0.00094 -0.00215 105 14 H 1S -0.00013 0.01241 -0.01387 0.01622 0.06983 106 2S -0.00100 -0.00542 0.01037 0.00405 0.01104 107 15 O 1S 0.00001 -0.13047 -0.15242 0.00875 0.01657 108 2S 0.00014 0.28245 0.33430 -0.02034 -0.03928 109 2PX -0.00005 0.01160 0.01909 0.02284 0.13313 110 2PY -0.00002 0.08712 0.06111 -0.00880 -0.03345 111 2PZ -0.00005 -0.02359 -0.03051 -0.00872 -0.08512 112 3S -0.00153 0.28564 0.36014 -0.02110 -0.04315 113 3PX -0.00047 0.00324 0.01852 0.01034 0.06036 114 3PY -0.00029 0.05254 0.03682 -0.00386 -0.01418 115 3PZ 0.00040 -0.01063 -0.02050 -0.00423 -0.03989 116 4XX -0.00006 -0.00063 0.00055 0.00088 0.00152 117 4YY -0.00001 0.00728 -0.00063 -0.00114 -0.00554 118 4ZZ 0.00001 -0.00549 -0.00454 0.00059 0.00319 119 4XY -0.00003 -0.00202 0.00036 0.00231 0.01291 120 4XZ 0.00001 -0.00670 -0.00750 -0.00051 -0.00475 121 4YZ 0.00004 -0.00189 -0.00252 -0.00087 -0.00761 122 16 O 1S 0.00000 -0.13093 0.15207 0.00872 0.01678 123 2S -0.00008 0.28339 -0.33349 -0.02052 -0.03983 124 2PX 0.00005 0.01188 -0.01923 0.02284 0.13364 125 2PY -0.00003 -0.08682 0.06016 0.00904 0.03565 126 2PZ 0.00004 -0.02533 0.03160 -0.00859 -0.08474 127 3S 0.00116 0.28710 -0.35965 -0.02006 -0.04339 128 3PX 0.00042 0.00358 -0.01873 0.01075 0.06070 129 3PY -0.00015 -0.05248 0.03624 0.00389 0.01518 130 3PZ -0.00038 -0.01179 0.02124 -0.00445 -0.03982 131 4XX 0.00009 -0.00065 -0.00054 0.00084 0.00159 132 4YY 0.00001 0.00718 0.00077 -0.00127 -0.00589 133 4ZZ 0.00003 -0.00546 0.00446 0.00055 0.00344 134 4XY -0.00002 0.00211 0.00023 -0.00232 -0.01283 135 4XZ -0.00001 -0.00669 0.00750 -0.00059 -0.00504 136 4YZ 0.00004 0.00217 -0.00258 0.00084 0.00741 137 17 C 1S 0.00000 -0.08379 -0.00014 0.01963 0.11338 138 2S 0.00000 0.16131 0.00030 -0.04060 -0.23759 139 2PX 0.00000 0.07989 0.00031 -0.00552 0.00193 140 2PY -0.00001 0.00060 -0.12923 -0.00005 -0.00016 141 2PZ -0.00001 -0.03330 -0.00130 0.00182 -0.01807 142 3S 0.00006 0.02818 0.00004 -0.02441 -0.16895 143 3PX 0.00006 -0.01393 -0.00003 0.00166 0.01305 144 3PY 0.00014 -0.00001 -0.00703 0.00007 0.00004 145 3PZ 0.00004 0.00247 -0.00005 0.00088 -0.00529 146 4XX 0.00000 0.00385 0.00006 0.00089 0.00638 147 4YY 0.00001 0.00729 -0.00020 -0.00134 -0.00340 148 4ZZ 0.00000 -0.00722 0.00015 0.00095 0.00332 149 4XY 0.00001 0.00010 -0.02357 0.00000 0.00001 150 4XZ 0.00000 -0.00742 -0.00025 0.00020 -0.00307 151 4YZ 0.00003 0.00014 0.00928 -0.00002 -0.00007 152 18 H 1S -0.00001 0.02480 0.00005 -0.01049 -0.07836 153 2S -0.00002 0.00199 0.00000 -0.00169 -0.01785 154 19 H 1S 0.00000 0.02520 0.00005 -0.00992 -0.06749 155 2S 0.00004 -0.00134 0.00000 -0.00091 -0.01200 156 20 C 1S 0.78582 -0.00163 -0.00107 -0.09207 0.02823 157 2S 0.03979 0.00205 0.00130 0.17609 -0.05417 158 2PX -0.00009 -0.00094 -0.00080 0.01166 -0.00602 159 2PY 0.00027 0.00019 -0.00088 0.02821 -0.01019 160 2PZ -0.00034 -0.00123 -0.00066 -0.05071 0.00591 161 3S -0.01776 0.00174 -0.00877 0.10872 -0.03604 162 3PX -0.00023 -0.00109 -0.00279 -0.00093 -0.00025 163 3PY -0.00329 0.00023 0.00004 0.00160 -0.00277 164 3PZ 0.00288 0.00020 0.00607 -0.00036 -0.00002 165 4XX -0.00726 0.00009 0.00023 -0.00845 0.00271 166 4YY -0.00688 -0.00009 -0.00038 0.00285 -0.00086 167 4ZZ -0.00709 -0.00014 -0.00022 0.00107 0.00073 168 4XY 0.00004 -0.00003 -0.00002 0.00047 -0.00030 169 4XZ -0.00014 0.00023 0.00022 -0.00452 0.00194 170 4YZ 0.00013 0.00005 0.00009 0.00018 0.00010 171 21 H 1S -0.00026 0.00031 0.00024 0.03519 -0.01373 172 2S 0.00098 0.00022 -0.00067 0.00133 -0.00322 173 22 C 1S -0.60691 -0.00162 0.00106 -0.09130 0.02692 174 2S -0.03089 0.00206 -0.00129 0.17459 -0.05154 175 2PX 0.00007 -0.00094 0.00080 0.01129 -0.00562 176 2PY 0.00030 -0.00018 -0.00086 -0.02817 0.01164 177 2PZ 0.00027 -0.00122 0.00062 -0.05042 0.00480 178 3S 0.01581 0.00118 0.00895 0.10888 -0.03495 179 3PX 0.00028 -0.00119 0.00283 -0.00071 -0.00043 180 3PY -0.00342 0.00015 0.00006 -0.00106 0.00362 181 3PZ -0.00269 0.00044 -0.00627 -0.00117 0.00038 182 4XX 0.00555 0.00010 -0.00024 -0.00841 0.00264 183 4YY 0.00516 -0.00010 0.00037 0.00292 -0.00099 184 4ZZ 0.00542 -0.00015 0.00024 0.00100 0.00086 185 4XY 0.00004 0.00003 -0.00002 -0.00045 0.00030 186 4XZ 0.00012 0.00023 -0.00022 -0.00445 0.00184 187 4YZ 0.00013 -0.00005 0.00009 -0.00007 -0.00025 188 23 H 1S 0.00019 0.00030 -0.00022 0.03484 -0.01305 189 2S -0.00063 0.00010 0.00075 0.00135 -0.00337 16 17 18 19 20 O O O O O Eigenvalues -- -0.73606 -0.73029 -0.64142 -0.60788 -0.60690 1 1 C 1S 0.01241 -0.12421 -0.00049 -0.02269 0.01342 2 2S -0.02327 0.24064 0.00011 0.04701 -0.02692 3 2PX 0.05128 0.01868 -0.00902 -0.02556 0.07989 4 2PY 0.01366 -0.00707 -0.00235 -0.00811 0.00294 5 2PZ -0.09408 0.01615 -0.00767 0.09707 -0.11554 6 3S -0.02519 0.20461 0.00708 0.04484 -0.03379 7 3PX 0.00795 0.00412 -0.00036 -0.00507 0.02058 8 3PY 0.00945 -0.00096 -0.00438 -0.00074 0.00254 9 3PZ -0.01673 -0.00488 -0.00400 0.03181 -0.02521 10 4XX 0.00485 -0.00744 -0.00102 -0.00502 0.00414 11 4YY -0.00080 -0.00061 0.00004 0.00076 -0.00072 12 4ZZ -0.00114 -0.00071 -0.00007 0.00132 -0.00098 13 4XY -0.00406 -0.00284 0.00110 0.00117 -0.00257 14 4XZ -0.00252 -0.00655 0.00095 -0.00015 -0.00405 15 4YZ 0.00796 -0.00201 0.00060 -0.00389 0.00484 16 2 C 1S 0.00994 0.12334 -0.00236 0.02365 -0.01547 17 2S -0.01875 -0.23900 0.00377 -0.04906 0.03136 18 2PX 0.05305 -0.01880 -0.01099 0.02735 -0.08288 19 2PY -0.01153 -0.00580 0.00240 -0.00473 -0.00103 20 2PZ -0.09363 -0.01890 -0.00406 -0.09659 0.11330 21 3S -0.01955 -0.20553 0.01176 -0.04614 0.03571 22 3PX 0.00871 -0.00522 -0.00058 0.00565 -0.02228 23 3PY -0.00831 -0.00134 0.00516 0.00110 0.00024 24 3PZ -0.01564 0.00191 -0.00288 -0.03021 0.02228 25 4XX 0.00493 0.00713 -0.00127 0.00537 -0.00477 26 4YY -0.00059 0.00077 0.00011 -0.00066 0.00072 27 4ZZ -0.00167 0.00098 -0.00007 -0.00165 0.00151 28 4XY 0.00418 -0.00286 -0.00113 0.00121 -0.00265 29 4XZ -0.00259 0.00629 0.00094 0.00012 0.00396 30 4YZ -0.00793 -0.00218 -0.00042 -0.00386 0.00472 31 3 C 1S -0.10950 -0.07098 0.01129 0.04233 -0.08888 32 2S 0.21108 0.13785 -0.02183 -0.08704 0.17958 33 2PX 0.01130 -0.03220 -0.01583 0.00086 0.00954 34 2PY -0.03765 0.06584 0.00589 -0.04490 0.09021 35 2PZ -0.02147 0.03018 -0.00275 0.02234 -0.01866 36 3S 0.18458 0.11261 -0.02678 -0.07587 0.17710 37 3PX 0.00231 -0.00207 -0.00705 -0.00229 0.00559 38 3PY -0.00641 0.01572 -0.00061 -0.01705 0.03736 39 3PZ -0.00727 0.00340 -0.00091 0.01005 -0.01302 40 4XX -0.00167 0.00270 0.00067 -0.00168 0.00293 41 4YY 0.00383 -0.00768 -0.00070 0.00482 -0.00979 42 4ZZ -0.00380 0.00310 0.00025 -0.00007 0.00130 43 4XY 0.00059 -0.00270 -0.00006 -0.00026 0.00136 44 4XZ 0.00305 -0.00341 0.00000 -0.00257 0.00302 45 4YZ -0.00145 0.00208 0.00006 0.00217 -0.00237 46 4 H 1S 0.07086 0.04830 -0.00206 -0.05145 0.08663 47 2S 0.01670 0.01145 0.00472 -0.02365 0.02993 48 5 H 1S 0.06798 0.04400 -0.01333 -0.03711 0.08322 49 2S 0.01623 0.00847 -0.00317 -0.01401 0.03080 50 6 C 1S -0.11128 0.06700 0.01328 -0.04353 0.08860 51 2S 0.21456 -0.13012 -0.02589 0.08939 -0.17911 52 2PX 0.01526 0.02601 -0.01632 0.00628 -0.02194 53 2PY 0.03635 0.06850 -0.00386 -0.04277 0.08995 54 2PZ -0.01542 -0.03539 -0.00201 -0.01781 0.00993 55 3S 0.18778 -0.10658 -0.03033 0.07948 -0.17703 56 3PX 0.00386 0.00028 -0.00748 0.00427 -0.00987 57 3PY 0.00559 0.01662 0.00029 -0.01691 0.03771 58 3PZ -0.00638 -0.00548 -0.00330 -0.00943 0.01068 59 4XX -0.00308 -0.00213 0.00082 0.00086 -0.00142 60 4YY 0.00359 0.00771 -0.00049 -0.00479 0.00986 61 4ZZ -0.00221 -0.00384 -0.00003 0.00081 -0.00289 62 4XY -0.00125 -0.00219 0.00016 -0.00072 0.00222 63 4XZ 0.00287 0.00331 -0.00034 0.00236 -0.00304 64 4YZ 0.00098 0.00310 -0.00011 0.00184 -0.00143 65 7 H 1S 0.07155 -0.04136 -0.00664 0.04865 -0.08412 66 2S 0.01649 -0.00996 0.00029 0.02126 -0.02913 67 8 H 1S 0.06916 -0.04673 -0.01503 0.03898 -0.08689 68 2S 0.01626 -0.00895 -0.00364 0.01485 -0.03215 69 9 H 1S -0.00300 -0.07743 0.00143 -0.01457 0.01489 70 2S -0.00301 -0.01829 -0.00088 -0.00245 0.00703 71 10 H 1S -0.00440 0.07762 -0.00002 0.01305 -0.01232 72 2S -0.00349 0.01826 -0.00167 0.00212 -0.00618 73 11 C 1S 0.00184 0.01429 -0.06745 -0.08453 -0.05238 74 2S -0.00380 -0.02698 0.13628 0.17485 0.10656 75 2PX 0.00410 -0.01199 0.08205 -0.01762 -0.01365 76 2PY -0.00096 0.01547 0.14955 -0.11265 -0.07767 77 2PZ -0.00950 -0.00046 -0.09270 -0.02107 -0.00078 78 3S -0.00405 -0.03509 0.12089 0.16239 0.11599 79 3PX 0.00193 -0.00392 0.02074 0.01107 -0.00419 80 3PY 0.00040 -0.00212 0.02769 -0.02604 -0.01471 81 3PZ -0.00155 -0.00553 -0.02589 -0.01861 0.00173 82 4XX 0.00091 0.00062 -0.01162 -0.00345 -0.00240 83 4YY -0.00003 0.00101 0.00662 -0.00629 -0.00421 84 4ZZ -0.00069 0.00009 -0.00604 0.00024 0.00113 85 4XY -0.00031 0.00111 -0.00842 0.00267 0.00249 86 4XZ -0.00027 -0.00019 0.00644 -0.00719 -0.00458 87 4YZ 0.00008 -0.00035 0.00751 0.00387 0.00105 88 12 H 1S 0.00334 -0.01633 0.05602 0.10570 0.06048 89 2S 0.00445 -0.00873 0.01667 0.04472 0.02370 90 13 C 1S 0.00165 -0.01148 -0.06736 0.08262 0.05519 91 2S -0.00355 0.02154 0.13609 -0.17093 -0.11237 92 2PX 0.00413 0.01385 0.08247 0.01758 0.01470 93 2PY 0.00134 0.01709 -0.14774 -0.11852 -0.07019 94 2PZ -0.00969 0.00030 -0.09597 0.01809 0.00139 95 3S -0.00369 0.02977 0.12081 -0.15878 -0.12166 96 3PX 0.00357 0.00446 0.02153 -0.01173 0.00526 97 3PY -0.00063 -0.00240 -0.02708 -0.02752 -0.01346 98 3PZ -0.00305 0.00516 -0.02738 0.01797 -0.00157 99 4XX 0.00080 -0.00039 -0.01167 0.00321 0.00277 100 4YY -0.00008 -0.00111 0.00689 0.00637 0.00390 101 4ZZ -0.00077 0.00006 -0.00632 -0.00030 -0.00081 102 4XY 0.00032 0.00117 0.00826 0.00269 0.00213 103 4XZ -0.00023 0.00043 0.00662 0.00728 0.00458 104 4YZ -0.00011 -0.00040 -0.00725 0.00394 0.00135 105 14 H 1S 0.00367 0.01539 0.05616 -0.10589 -0.06091 106 2S 0.00421 0.00927 0.01620 -0.04549 -0.02290 107 15 O 1S -0.00040 -0.00741 0.06982 0.02289 0.01500 108 2S 0.00100 0.01619 -0.16290 -0.05423 -0.03352 109 2PX -0.01220 -0.01988 -0.10091 0.17038 0.12592 110 2PY 0.00338 0.00748 0.08458 -0.04467 -0.03575 111 2PZ 0.00156 0.00660 0.04127 -0.11668 -0.07404 112 3S 0.00110 0.02412 -0.21479 -0.06572 -0.05270 113 3PX -0.00538 -0.00701 -0.04069 0.08011 0.05605 114 3PY 0.00165 0.00449 0.04612 -0.01725 -0.01685 115 3PZ -0.00022 0.00242 0.01547 -0.05726 -0.03232 116 4XX -0.00033 -0.00110 0.00069 0.00245 0.00255 117 4YY 0.00043 0.00007 0.00965 -0.00316 -0.00179 118 4ZZ -0.00012 -0.00095 -0.00011 0.00423 0.00332 119 4XY -0.00102 -0.00076 -0.00459 0.00721 0.00491 120 4XZ -0.00017 0.00032 -0.00009 -0.00538 -0.00297 121 4YZ 0.00008 0.00024 -0.00046 -0.00435 -0.00245 122 16 O 1S -0.00042 0.00737 0.06968 -0.02131 -0.01746 123 2S 0.00074 -0.01627 -0.16272 0.05069 0.03906 124 2PX -0.01221 0.01551 -0.10150 -0.17090 -0.12469 125 2PY -0.00342 0.00658 -0.08597 -0.05017 -0.03340 126 2PZ 0.00141 -0.00363 0.03979 0.11539 0.07437 127 3S 0.00250 -0.02323 -0.21384 0.06023 0.06137 128 3PX -0.00489 0.00537 -0.04075 -0.08039 -0.05541 129 3PY -0.00178 0.00398 -0.04677 -0.02007 -0.01537 130 3PZ -0.00067 -0.00130 0.01449 0.05683 0.03234 131 4XX -0.00040 0.00104 0.00062 -0.00251 -0.00254 132 4YY 0.00032 0.00003 0.00962 0.00364 0.00143 133 4ZZ -0.00020 0.00080 -0.00014 -0.00435 -0.00346 134 4XY 0.00099 -0.00037 0.00458 0.00701 0.00491 135 4XZ -0.00020 -0.00023 -0.00002 0.00554 0.00306 136 4YZ -0.00005 0.00000 0.00068 -0.00402 -0.00256 137 17 C 1S -0.00901 -0.00189 -0.12549 -0.00067 0.00127 138 2S 0.01870 0.00392 0.26472 0.00145 -0.00274 139 2PX -0.00190 -0.00034 -0.08971 -0.00055 0.00072 140 2PY -0.00002 -0.02026 0.00001 0.17829 0.12779 141 2PZ -0.00114 0.00025 0.02936 0.00145 0.00160 142 3S 0.01549 0.00317 0.24901 0.00127 -0.00249 143 3PX -0.00178 -0.00020 -0.03686 -0.00032 0.00046 144 3PY 0.00010 -0.00350 0.00004 0.04660 0.03439 145 3PZ -0.00125 0.00009 0.00547 0.00038 0.00050 146 4XX -0.00069 -0.00012 -0.00319 0.00002 -0.00009 147 4YY 0.00018 -0.00001 -0.01317 -0.00005 0.00032 148 4ZZ -0.00018 -0.00002 0.00618 0.00001 -0.00016 149 4XY 0.00000 -0.00230 0.00002 0.01574 0.01110 150 4XZ -0.00006 0.00004 0.00309 0.00013 0.00014 151 4YZ 0.00001 0.00097 -0.00023 -0.00320 -0.00268 152 18 H 1S 0.00563 0.00143 0.11789 0.00051 -0.00104 153 2S 0.00069 0.00036 0.03919 0.00012 -0.00033 154 19 H 1S 0.00637 0.00123 0.11736 0.00073 -0.00144 155 2S 0.00074 0.00027 0.03373 0.00020 -0.00042 156 20 C 1S 0.10578 0.06281 0.00276 0.05518 -0.05966 157 2S -0.20596 -0.12557 -0.00401 -0.11216 0.12209 158 2PX 0.01182 -0.01303 -0.00198 0.00057 -0.01213 159 2PY -0.05153 0.07573 -0.00208 0.07140 -0.07854 160 2PZ 0.00363 0.05741 -0.00565 0.01599 -0.01752 161 3S -0.14975 -0.07115 -0.00843 -0.08557 0.09045 162 3PX 0.00568 0.00413 -0.00046 0.00643 -0.00816 163 3PY -0.00513 0.02392 -0.00075 0.02009 -0.03101 164 3PZ -0.00627 -0.00839 0.00138 -0.01217 0.01221 165 4XX 0.00956 0.00416 0.00018 0.00354 -0.00374 166 4YY -0.00506 0.00627 -0.00010 0.00514 -0.00550 167 4ZZ 0.00313 -0.00546 0.00070 -0.00199 0.00256 168 4XY -0.00114 0.00051 -0.00027 -0.00089 0.00199 169 4XZ 0.00303 0.00447 0.00049 0.00333 -0.00232 170 4YZ 0.00145 -0.00478 -0.00010 -0.00013 0.00031 171 21 H 1S -0.06002 -0.03687 -0.00285 -0.05307 0.05963 172 2S -0.01166 -0.00200 -0.00223 -0.01747 0.01814 173 22 C 1S 0.10701 -0.06305 0.00521 -0.05537 0.06043 174 2S -0.20855 0.12581 -0.00897 0.11267 -0.12393 175 2PX 0.01132 0.01259 -0.00187 -0.00032 0.01164 176 2PY 0.05004 0.07629 -0.00093 0.07044 -0.07668 177 2PZ 0.00565 -0.05618 -0.00446 -0.01427 0.01454 178 3S -0.15000 0.07391 -0.01140 0.08435 -0.08916 179 3PX 0.00606 -0.00377 -0.00015 -0.00640 0.00834 180 3PY 0.00568 0.02436 -0.00013 0.01892 -0.02942 181 3PZ -0.00717 0.00790 0.00072 0.01298 -0.01412 182 4XX 0.00965 -0.00425 0.00034 -0.00351 0.00370 183 4YY -0.00490 -0.00614 0.00012 -0.00514 0.00544 184 4ZZ 0.00300 0.00531 0.00060 0.00191 -0.00239 185 4XY 0.00111 0.00060 0.00031 -0.00086 0.00200 186 4XZ 0.00313 -0.00449 0.00062 -0.00335 0.00240 187 4YZ -0.00152 -0.00504 0.00015 -0.00023 0.00039 188 23 H 1S -0.06069 0.03681 -0.00492 0.05299 -0.06018 189 2S -0.01168 0.00208 -0.00278 0.01750 -0.01828 21 22 23 24 25 O O O O O Eigenvalues -- -0.58538 -0.52878 -0.50062 -0.49479 -0.47091 1 1 C 1S -0.10215 0.01303 0.00989 0.00851 -0.05971 2 2S 0.20662 -0.02667 -0.01949 -0.01986 0.12447 3 2PX -0.00612 -0.01767 -0.03729 0.02455 -0.01366 4 2PY 0.07373 0.02895 0.01494 -0.20022 0.11492 5 2PZ -0.00257 -0.01384 -0.02637 0.00438 -0.07645 6 3S 0.18890 -0.02904 -0.02784 -0.02103 0.13216 7 3PX -0.00462 -0.01226 -0.01488 0.00549 -0.00390 8 3PY 0.03256 0.01503 0.01011 -0.08141 0.05036 9 3PZ -0.01153 -0.00466 -0.00818 -0.00138 -0.04273 10 4XX -0.00829 0.00101 0.00210 0.00021 -0.00652 11 4YY 0.00393 -0.00043 0.00013 -0.00232 0.01055 12 4ZZ -0.00808 0.00237 0.00157 -0.00186 -0.01131 13 4XY -0.00176 0.00018 0.00183 -0.00065 -0.00214 14 4XZ 0.00023 0.00123 0.00064 0.00174 0.00371 15 4YZ 0.00064 0.00009 0.00151 -0.00189 0.00153 16 2 C 1S -0.10150 0.01210 0.00852 0.00869 0.05983 17 2S 0.20530 -0.02469 -0.01648 -0.02014 -0.12483 18 2PX -0.00357 -0.01579 -0.03661 0.02423 0.01496 19 2PY -0.07474 -0.03009 -0.01716 0.20398 0.11431 20 2PZ -0.00797 -0.01788 -0.02986 0.00866 0.07754 21 3S 0.19134 -0.02713 -0.02476 -0.02305 -0.13377 22 3PX -0.00297 -0.01181 -0.01489 0.00486 0.00401 23 3PY -0.03126 -0.01526 -0.01055 0.08186 0.04899 24 3PZ -0.01125 -0.00575 -0.00965 -0.00081 0.04266 25 4XX -0.00818 0.00108 0.00204 0.00011 0.00667 26 4YY 0.00400 -0.00027 0.00046 -0.00262 -0.01082 27 4ZZ -0.00821 0.00218 0.00133 -0.00155 0.01138 28 4XY 0.00177 -0.00011 -0.00176 0.00072 -0.00202 29 4XZ 0.00020 0.00111 0.00048 0.00176 -0.00369 30 4YZ -0.00051 -0.00027 -0.00164 0.00199 0.00110 31 3 C 1S 0.04175 0.00072 0.00064 0.00239 0.04641 32 2S -0.08461 -0.00244 -0.00138 -0.00427 -0.09400 33 2PX -0.08167 -0.00216 -0.02431 -0.06595 -0.09990 34 2PY 0.07657 0.00780 -0.00051 -0.09240 -0.03208 35 2PZ 0.07219 -0.04522 -0.05385 0.09251 0.05491 36 3S -0.08322 0.00166 0.00246 -0.01140 -0.12710 37 3PX -0.02854 -0.00401 -0.01236 -0.02550 -0.04239 38 3PY 0.02261 0.00174 -0.00080 -0.03765 -0.01558 39 3PZ 0.02379 -0.01206 -0.02002 0.03710 0.02433 40 4XX 0.00176 -0.00023 -0.00019 -0.00223 -0.00269 41 4YY -0.00225 0.00002 0.00026 -0.00054 0.00735 42 4ZZ 0.00321 0.00048 0.00070 -0.00138 -0.00100 43 4XY -0.00356 -0.00060 -0.00030 0.00279 -0.00841 44 4XZ -0.00671 0.00220 0.00163 -0.00543 -0.00549 45 4YZ 0.00350 -0.00010 -0.00040 -0.00218 0.00575 46 4 H 1S -0.03893 0.02648 0.03016 -0.05501 -0.05852 47 2S -0.01921 0.02403 0.02230 -0.03770 -0.02981 48 5 H 1S -0.05149 -0.00385 -0.01643 -0.04396 -0.09614 49 2S -0.02281 -0.00136 -0.00998 -0.02964 -0.05767 50 6 C 1S 0.03994 -0.00179 -0.00161 0.00275 -0.04518 51 2S -0.08060 0.00279 0.00357 -0.00532 0.09150 52 2PX -0.07932 -0.00070 -0.02282 -0.06569 0.09285 53 2PY -0.08019 -0.00969 -0.00111 0.09135 -0.03673 54 2PZ 0.07235 -0.04674 -0.05767 0.09926 -0.05849 55 3S -0.08164 0.00723 0.00641 -0.01038 0.12367 56 3PX -0.02594 -0.00472 -0.01184 -0.02417 0.03984 57 3PY -0.02472 -0.00402 -0.00163 0.03899 -0.01713 58 3PZ 0.02483 -0.01494 -0.02312 0.04270 -0.02434 59 4XX 0.00315 -0.00046 -0.00041 -0.00079 0.00053 60 4YY -0.00229 -0.00018 0.00011 -0.00071 -0.00780 61 4ZZ 0.00177 0.00079 0.00087 -0.00262 0.00377 62 4XY 0.00344 0.00045 0.00017 -0.00254 -0.00854 63 4XZ -0.00657 0.00160 0.00057 -0.00501 0.00573 64 4YZ -0.00392 0.00025 0.00071 0.00202 0.00547 65 7 H 1S -0.04642 0.02797 0.03214 -0.06529 0.07477 66 2S -0.02150 0.02197 0.02202 -0.04149 0.04242 67 8 H 1S -0.04083 -0.00475 -0.01868 -0.03402 0.08329 68 2S -0.01928 -0.00116 -0.01138 -0.02553 0.04895 69 9 H 1S 0.11595 0.00703 0.00493 -0.11515 -0.12754 70 2S 0.05043 0.00778 0.00463 -0.07015 -0.07938 71 10 H 1S 0.11587 0.00547 0.00210 -0.11279 0.12665 72 2S 0.04994 0.00669 0.00264 -0.06815 0.07817 73 11 C 1S 0.00876 -0.00683 -0.00860 -0.00126 0.00722 74 2S -0.01990 0.01245 0.01779 0.00221 -0.01242 75 2PX 0.02559 0.05778 0.10448 0.03664 -0.06130 76 2PY -0.04651 -0.21610 0.01419 -0.03982 0.01365 77 2PZ 0.00583 -0.13647 0.04062 -0.01033 0.05759 78 3S -0.00630 0.03725 0.02108 0.00995 -0.02707 79 3PX 0.00810 0.01380 0.04830 0.01209 -0.01908 80 3PY -0.01460 -0.06542 0.00107 -0.01165 0.00620 81 3PZ 0.00606 -0.04214 0.02359 -0.00221 0.00913 82 4XX 0.00111 -0.00182 -0.01045 -0.00131 0.00207 83 4YY -0.00085 0.00064 0.00177 -0.00002 -0.00129 84 4ZZ 0.00133 0.00464 0.00663 0.00179 -0.00033 85 4XY 0.00098 0.00714 0.00134 0.00404 0.00668 86 4XZ 0.00104 0.00109 -0.00001 0.00126 -0.00351 87 4YZ -0.00077 -0.00174 0.00154 0.00006 -0.00632 88 12 H 1S 0.00743 0.12842 0.00759 0.01924 -0.05093 89 2S 0.00481 0.08385 0.00873 0.00897 -0.03962 90 13 C 1S 0.00885 -0.00667 -0.00874 -0.00114 -0.00721 91 2S -0.01978 0.01199 0.01795 0.00203 0.01253 92 2PX 0.02554 0.05780 0.10446 0.03583 0.06169 93 2PY 0.04645 0.21872 -0.01457 0.04002 0.01484 94 2PZ 0.00712 -0.13311 0.04015 -0.00869 -0.05804 95 3S -0.00758 0.03709 0.02167 0.00940 0.02662 96 3PX 0.00727 0.01464 0.04904 0.01184 0.01905 97 3PY 0.01419 0.06632 -0.00124 0.01145 0.00630 98 3PZ 0.00690 -0.04195 0.02276 -0.00113 -0.00911 99 4XX 0.00117 -0.00190 -0.01055 -0.00125 -0.00207 100 4YY -0.00081 0.00055 0.00176 0.00000 0.00157 101 4ZZ 0.00144 0.00468 0.00657 0.00179 0.00018 102 4XY -0.00099 -0.00712 -0.00140 -0.00414 0.00662 103 4XZ 0.00105 0.00102 -0.00005 0.00116 0.00365 104 4YZ 0.00077 0.00155 -0.00168 0.00000 -0.00631 105 14 H 1S 0.00716 0.12894 0.00791 0.01839 0.05131 106 2S 0.00542 0.08367 0.00826 0.00927 0.04047 107 15 O 1S -0.00714 -0.03098 -0.01194 -0.01358 -0.00509 108 2S 0.01759 0.07138 0.02245 0.03036 0.01053 109 2PX -0.00067 -0.02368 0.07641 0.00463 0.09771 110 2PY -0.02705 -0.20516 -0.02907 -0.06739 -0.01399 111 2PZ 0.01235 -0.04150 0.21072 0.02073 -0.04777 112 3S 0.01967 0.10232 0.05734 0.05131 0.02816 113 3PX -0.00328 -0.02139 0.04761 -0.00045 0.05195 114 3PY -0.01596 -0.12124 -0.01243 -0.03854 -0.00445 115 3PZ 0.00748 -0.02022 0.11897 0.01142 -0.02366 116 4XX 0.00183 0.00791 0.00094 0.00238 -0.00102 117 4YY -0.00185 -0.01789 -0.00236 -0.00570 -0.00131 118 4ZZ 0.00045 0.00781 -0.00384 0.00097 -0.00030 119 4XY -0.00171 -0.00916 0.00577 -0.00108 0.00431 120 4XZ -0.00008 -0.00321 -0.00345 -0.00143 -0.00051 121 4YZ 0.00196 0.00412 0.01509 0.00348 -0.00186 122 16 O 1S -0.00711 -0.03102 -0.01195 -0.01364 0.00499 123 2S 0.01752 0.07133 0.02237 0.03049 -0.01028 124 2PX -0.00038 -0.02575 0.07675 0.00579 -0.09832 125 2PY 0.02694 0.20595 0.02535 0.06746 -0.01546 126 2PZ 0.01299 -0.03671 0.21147 0.02148 0.04821 127 3S 0.01943 0.10309 0.05794 0.05152 -0.02779 128 3PX -0.00308 -0.02220 0.04802 0.00008 -0.05229 129 3PY 0.01594 0.12158 0.01026 0.03859 -0.00519 130 3PZ 0.00789 -0.01764 0.11928 0.01186 0.02396 131 4XX 0.00185 0.00783 0.00094 0.00237 0.00096 132 4YY -0.00179 -0.01776 -0.00194 -0.00560 0.00142 133 4ZZ 0.00038 0.00762 -0.00437 0.00086 0.00023 134 4XY 0.00171 0.00935 -0.00573 0.00108 0.00432 135 4XZ -0.00003 -0.00301 -0.00353 -0.00141 0.00060 136 4YZ -0.00202 -0.00472 -0.01506 -0.00361 -0.00187 137 17 C 1S -0.00169 -0.00799 0.00614 0.00296 0.00009 138 2S 0.00471 0.01624 -0.01166 -0.00576 -0.00017 139 2PX -0.01510 -0.20361 0.11791 -0.04111 0.00067 140 2PY -0.00033 -0.00006 -0.00330 -0.00129 0.09008 141 2PZ 0.01687 0.04316 0.34110 0.06100 0.00111 142 3S 0.00452 0.03585 -0.02013 -0.00552 -0.00025 143 3PX -0.00583 -0.06422 0.04611 -0.01712 0.00024 144 3PY -0.00009 0.00008 -0.00136 -0.00053 0.03618 145 3PZ 0.00681 0.01510 0.14592 0.02919 0.00046 146 4XX -0.00153 -0.01013 -0.00513 -0.00339 -0.00004 147 4YY 0.00064 -0.00082 0.00161 0.00072 0.00009 148 4ZZ 0.00033 0.00856 0.00264 0.00255 -0.00005 149 4XY -0.00003 -0.00008 0.00002 -0.00007 0.00457 150 4XZ 0.00153 0.01017 -0.00346 0.00242 0.00002 151 4YZ 0.00002 -0.00010 0.00000 0.00000 -0.00103 152 18 H 1S 0.00986 0.05254 0.14679 0.03243 -0.00008 153 2S 0.00324 0.03540 0.09042 0.01728 -0.00005 154 19 H 1S 0.00257 0.07556 -0.15172 -0.00314 -0.00052 155 2S 0.00190 0.05458 -0.09217 0.00187 -0.00036 156 20 C 1S 0.05977 -0.01006 0.00312 0.00627 -0.06593 157 2S -0.12111 0.02091 -0.01094 -0.01300 0.13608 158 2PX 0.03698 -0.02215 -0.04202 0.07569 -0.03192 159 2PY -0.13141 0.00871 -0.00176 0.12022 -0.07749 160 2PZ -0.11940 0.05562 0.02871 -0.16430 0.07965 161 3S -0.10680 0.02358 0.00506 -0.02541 0.13812 162 3PX 0.01171 -0.00539 -0.02120 0.02409 -0.01639 163 3PY -0.02951 0.00090 0.00101 0.03648 -0.02343 164 3PZ -0.03747 0.01609 0.00061 -0.05348 0.04359 165 4XX 0.00378 -0.00080 0.00060 -0.00134 -0.00219 166 4YY -0.00398 0.00149 -0.00059 -0.00250 -0.00864 167 4ZZ 0.00659 -0.00077 -0.00001 -0.00104 0.00133 168 4XY -0.00210 0.00067 -0.00022 -0.00034 0.00432 169 4XZ 0.00169 -0.00078 0.00182 0.00229 -0.00534 170 4YZ 0.00612 -0.00028 -0.00048 -0.00218 -0.01060 171 21 H 1S -0.06613 0.03192 0.01670 -0.11776 0.12792 172 2S -0.02741 0.02013 0.01750 -0.07885 0.07734 173 22 C 1S 0.05709 -0.01175 0.00155 0.00696 0.06585 174 2S -0.11608 0.02445 -0.00766 -0.01434 -0.13608 175 2PX 0.03615 -0.02271 -0.04247 0.07584 0.03261 176 2PY 0.13715 -0.00774 0.00294 -0.11734 -0.07676 177 2PZ -0.11732 0.05610 0.02977 -0.16611 -0.08030 178 3S -0.09899 0.02650 0.00809 -0.02841 -0.13674 179 3PX 0.01281 -0.00595 -0.02171 0.02374 0.01698 180 3PY 0.03160 -0.00007 -0.00041 -0.03553 -0.02246 181 3PZ -0.03910 0.01685 0.00155 -0.05337 -0.04421 182 4XX 0.00354 -0.00087 0.00056 -0.00134 0.00215 183 4YY -0.00404 0.00127 -0.00082 -0.00236 0.00902 184 4ZZ 0.00651 -0.00071 0.00007 -0.00105 -0.00170 185 4XY 0.00200 -0.00074 0.00012 0.00032 0.00422 186 4XZ 0.00159 -0.00089 0.00171 0.00240 0.00542 187 4YZ -0.00633 0.00044 0.00063 0.00213 -0.01036 188 23 H 1S -0.06326 0.03425 0.01913 -0.11821 -0.12776 189 2S -0.02551 0.02105 0.01865 -0.07914 -0.07710 26 27 28 29 30 O O O O O Eigenvalues -- -0.45295 -0.45138 -0.43979 -0.40985 -0.39733 1 1 C 1S -0.00559 0.02691 -0.00128 -0.00239 0.02743 2 2S 0.01273 -0.05398 0.00431 0.00589 -0.06446 3 2PX 0.02895 -0.01416 0.05139 -0.12730 -0.10037 4 2PY 0.04039 -0.03021 0.01961 -0.06380 0.25660 5 2PZ 0.07235 0.02887 0.02280 0.23534 -0.02989 6 3S 0.01040 -0.07913 -0.00474 0.00310 -0.08948 7 3PX 0.01390 -0.00206 0.02188 -0.04270 -0.04069 8 3PY 0.01852 -0.00344 0.01618 -0.01758 0.07197 9 3PZ 0.03275 0.00035 0.01131 0.08194 -0.01811 10 4XX 0.00472 0.00254 0.00085 -0.00307 -0.00254 11 4YY 0.00065 -0.00416 -0.00008 -0.00354 0.01116 12 4ZZ -0.00525 0.00518 -0.00154 0.00413 -0.00084 13 4XY -0.00174 0.00077 -0.00206 0.00346 0.00107 14 4XZ 0.00071 0.00080 0.00106 0.00215 0.00092 15 4YZ -0.00194 -0.00051 -0.00105 -0.00451 0.00318 16 2 C 1S 0.01183 -0.02440 0.00135 0.00315 -0.02553 17 2S -0.02318 0.04937 -0.00148 -0.00613 0.06059 18 2PX 0.02165 0.03368 0.05847 -0.16184 0.04179 19 2PY -0.00515 -0.04064 -0.00229 -0.00481 0.27363 20 2PZ 0.08288 0.00450 0.02539 0.21435 0.09917 21 3S -0.03857 0.07025 -0.00974 -0.02719 0.08229 22 3PX 0.01187 0.01175 0.02531 -0.06103 0.01523 23 3PY -0.01063 -0.01150 -0.01093 -0.00689 0.07570 24 3PZ 0.03057 0.01456 0.01341 0.06223 0.04403 25 4XX 0.00586 0.00035 0.00151 -0.00494 0.00143 26 4YY -0.00293 0.00339 -0.00147 -0.00048 -0.01299 27 4ZZ -0.00120 -0.00688 -0.00097 0.00509 0.00337 28 4XY 0.00104 0.00155 0.00210 -0.00408 0.00009 29 4XZ 0.00103 -0.00036 0.00111 0.00212 -0.00057 30 4YZ 0.00195 0.00069 0.00108 0.00343 0.00234 31 3 C 1S -0.00147 -0.00719 0.00319 0.00332 0.00865 32 2S 0.00379 0.01284 -0.00714 -0.00842 -0.01482 33 2PX 0.21060 0.05893 0.09624 0.13085 0.03371 34 2PY -0.00009 0.00605 0.02344 -0.12834 -0.01787 35 2PZ 0.13636 -0.01504 0.09999 -0.11847 -0.16192 36 3S 0.00184 0.02484 -0.01016 -0.01622 -0.06292 37 3PX 0.09271 0.01580 0.03747 0.05497 0.01017 38 3PY 0.00636 -0.00681 0.00893 -0.06684 0.02388 39 3PZ 0.05843 -0.00178 0.04967 -0.05445 -0.07495 40 4XX 0.00838 0.00211 0.00489 -0.00012 -0.00270 41 4YY 0.00053 -0.00202 -0.00094 0.00083 0.00572 42 4ZZ -0.00735 -0.00122 -0.00393 0.00127 -0.00085 43 4XY 0.00190 0.00149 0.00064 0.00367 -0.00086 44 4XZ -0.00065 0.00269 -0.00063 0.00312 0.00764 45 4YZ 0.00254 -0.00378 0.00104 0.00105 -0.00649 46 4 H 1S -0.10659 0.01346 -0.06207 0.01344 0.07582 47 2S -0.08675 0.01762 -0.03897 0.01796 0.06581 48 5 H 1S 0.12763 0.03884 0.06383 0.03560 -0.00780 49 2S 0.09462 0.03187 0.05237 0.03276 -0.00401 50 6 C 1S -0.00041 0.00800 0.00500 0.00405 -0.00905 51 2S -0.00058 -0.01443 -0.01195 -0.00947 0.01548 52 2PX 0.19411 0.04162 0.08990 0.09589 -0.02652 53 2PY 0.00337 -0.00136 -0.02180 0.12656 0.04829 54 2PZ 0.12637 0.09247 0.12035 -0.20583 0.11442 55 3S 0.00899 -0.02754 -0.00891 -0.02448 0.06354 56 3PX 0.08398 0.02822 0.03441 0.04187 -0.00991 57 3PY 0.00621 -0.00938 -0.00501 0.06071 0.05524 58 3PZ 0.05778 0.03702 0.05589 -0.08724 0.05451 59 4XX 0.00757 0.00284 0.00528 -0.00418 0.00232 60 4YY -0.00038 0.00192 -0.00115 0.00195 -0.00441 61 4ZZ -0.00584 -0.00285 -0.00398 0.00467 0.00028 62 4XY -0.00120 0.00084 -0.00037 -0.00034 -0.00132 63 4XZ 0.00495 -0.00077 0.00209 0.00350 -0.00485 64 4YZ -0.00123 -0.00498 -0.00228 0.00489 -0.00642 65 7 H 1S -0.08047 -0.06490 -0.07000 0.08549 -0.06755 66 2S -0.06207 -0.05566 -0.04748 0.07758 -0.05620 67 8 H 1S 0.12406 0.03201 0.07033 -0.01713 0.00636 68 2S 0.09350 0.02141 0.05740 -0.00917 0.00188 69 9 H 1S -0.01403 0.04428 -0.00532 0.00335 -0.15339 70 2S -0.01002 0.02965 -0.00842 0.00300 -0.15605 71 10 H 1S 0.02435 -0.04335 0.00866 -0.03388 0.14117 72 2S 0.01796 -0.02950 0.00296 -0.03203 0.14383 73 11 C 1S -0.02846 0.03333 -0.00013 0.00401 -0.01101 74 2S 0.06178 -0.06407 -0.00332 -0.01037 0.01606 75 2PX -0.03299 -0.13091 0.07525 0.03328 0.00938 76 2PY -0.01535 0.06063 0.00106 0.01919 0.00268 77 2PZ 0.00607 0.19752 -0.20700 -0.01426 -0.01508 78 3S 0.08284 -0.11471 0.00067 -0.01487 0.08394 79 3PX -0.01798 -0.03784 0.01660 0.01303 -0.00065 80 3PY -0.00823 -0.00402 0.00324 0.00412 0.03175 81 3PZ 0.00299 0.05599 -0.07947 -0.00455 0.00333 82 4XX -0.00727 0.00588 -0.00387 -0.00197 0.00021 83 4YY 0.00161 -0.00084 0.00197 0.00081 -0.00180 84 4ZZ -0.00018 -0.00201 0.00346 0.00128 -0.00101 85 4XY 0.00000 0.01298 -0.00614 0.00019 0.00075 86 4XZ -0.00093 -0.00535 0.00263 0.00239 0.00045 87 4YZ 0.00254 -0.02107 0.00456 -0.00114 0.00325 88 12 H 1S 0.02327 -0.17548 0.10085 0.00002 0.01413 89 2S 0.00356 -0.14186 0.07454 0.00045 0.00711 90 13 C 1S -0.01006 -0.04245 0.00210 -0.00321 0.01150 91 2S 0.02586 0.08476 -0.00750 0.00216 -0.01854 92 2PX -0.08790 0.10143 0.07156 0.03559 0.01726 93 2PY -0.01564 0.06430 -0.00018 -0.00912 -0.01958 94 2PZ 0.09641 -0.17666 -0.19773 -0.03941 0.02559 95 3S 0.02089 0.13932 -0.00801 0.02355 -0.08115 96 3PX -0.03588 0.02479 0.01494 0.00776 0.01423 97 3PY 0.00943 0.00143 -0.00095 -0.00852 0.02553 98 3PZ 0.03223 -0.04958 -0.07583 -0.00904 0.00296 99 4XX -0.00357 -0.00865 -0.00352 -0.00246 -0.00111 100 4YY 0.00097 0.00222 0.00222 0.00031 0.00220 101 4ZZ -0.00076 0.00112 0.00336 0.00089 0.00087 102 4XY -0.00579 0.01171 0.00569 0.00009 -0.00016 103 4XZ -0.00336 0.00454 0.00262 0.00231 0.00101 104 4YZ 0.00749 -0.02000 -0.00352 -0.00172 0.00346 105 14 H 1S -0.05998 0.16905 0.09249 0.02107 -0.02362 106 2S -0.06000 0.12984 0.06878 0.01441 -0.01653 107 15 O 1S 0.01414 -0.01436 -0.01795 -0.00735 0.00332 108 2S -0.03256 0.03135 0.04125 0.01467 -0.00432 109 2PX 0.07575 0.24744 -0.20052 -0.03748 -0.03645 110 2PY -0.04534 -0.04535 0.03759 -0.01935 0.02554 111 2PZ -0.01453 -0.06659 0.09736 0.03520 -0.02658 112 3S -0.06327 0.07086 0.07445 0.03577 -0.02457 113 3PX 0.04087 0.13085 -0.10991 -0.01939 -0.02693 114 3PY -0.02427 -0.01679 0.01552 -0.01492 0.01277 115 3PZ -0.00414 -0.02800 0.05119 0.02143 -0.01826 116 4XX 0.00449 -0.00037 -0.00746 -0.00032 0.00051 117 4YY -0.00365 -0.00271 0.00328 -0.00180 0.00166 118 4ZZ 0.00365 -0.00263 0.00000 -0.00169 0.00145 119 4XY 0.00325 0.01037 -0.00801 -0.00180 -0.00119 120 4XZ -0.00445 -0.00106 0.00228 0.00180 0.00012 121 4YZ 0.00123 -0.00213 0.00410 0.00112 -0.00145 122 16 O 1S 0.00629 0.01899 -0.01878 -0.00412 -0.00801 123 2S -0.01472 -0.04202 0.04314 0.00935 0.01343 124 2PX 0.18013 -0.18944 -0.19084 -0.06293 0.01941 125 2PY 0.06343 -0.02395 -0.03762 0.00815 0.04460 126 2PZ -0.04161 0.05465 0.09666 0.02032 0.04492 127 3S -0.02766 -0.09158 0.07815 0.01425 0.04713 128 3PX 0.09491 -0.10010 -0.10478 -0.03725 0.01737 129 3PY 0.03082 -0.00617 -0.01568 0.00960 0.02564 130 3PZ -0.01489 0.02436 0.05153 0.01219 0.02935 131 4XX 0.00411 0.00209 -0.00748 -0.00017 0.00012 132 4YY -0.00435 0.00116 0.00338 -0.00073 -0.00331 133 4ZZ 0.00218 0.00396 -0.00036 -0.00026 -0.00292 134 4XY -0.00740 0.00788 0.00757 0.00282 -0.00058 135 4XZ -0.00451 -0.00091 0.00250 0.00169 0.00104 136 4YZ -0.00035 -0.00262 -0.00404 -0.00052 -0.00177 137 17 C 1S -0.01415 -0.00304 0.02195 0.00474 0.00164 138 2S 0.02937 0.00633 -0.04318 -0.00973 -0.00410 139 2PX -0.14624 -0.03092 0.26584 0.02220 -0.00715 140 2PY -0.04641 0.18683 -0.00344 0.01014 -0.02877 141 2PZ 0.15800 0.04077 -0.02114 -0.04581 -0.01940 142 3S 0.03591 0.00749 -0.06191 -0.01049 -0.00336 143 3PX -0.05665 -0.01210 0.09917 0.00754 -0.00204 144 3PY -0.02050 0.08228 -0.00157 0.00342 -0.00549 145 3PZ 0.06480 0.01669 -0.00801 -0.01589 -0.00681 146 4XX 0.00224 0.00040 -0.01169 -0.00179 0.00006 147 4YY -0.01747 -0.00381 0.02753 0.00669 0.00121 148 4ZZ 0.01519 0.00341 -0.01568 -0.00457 -0.00124 149 4XY -0.00200 0.00834 -0.00017 0.00024 -0.00154 150 4XZ 0.00037 0.00000 -0.00581 0.00210 0.00137 151 4YZ 0.00064 -0.00417 0.00063 -0.00070 0.00329 152 18 H 1S 0.12700 0.03004 -0.08008 -0.03856 -0.01332 153 2S 0.08892 0.02121 -0.05602 -0.03212 -0.01058 154 19 H 1S 0.03544 0.00576 -0.14744 -0.00160 0.00846 155 2S 0.02483 0.00394 -0.10825 0.00122 0.00857 156 20 C 1S -0.00643 0.02663 -0.00392 -0.00421 -0.00802 157 2S 0.01090 -0.05736 0.00809 0.00758 0.02117 158 2PX 0.01824 0.03155 0.04022 -0.00584 0.07559 159 2PY -0.07094 0.02037 -0.01131 -0.18379 -0.03186 160 2PZ 0.00302 -0.04601 0.01918 -0.15764 -0.19697 161 3S 0.02025 -0.06502 0.01014 0.01662 0.02732 162 3PX 0.01028 0.00554 0.02106 -0.00460 0.02011 163 3PY -0.02264 0.01565 -0.00193 -0.07178 0.01886 164 3PZ -0.00101 -0.01185 0.00860 -0.06883 -0.03808 165 4XX 0.00125 0.00165 0.00051 -0.00224 -0.00024 166 4YY -0.00225 0.00251 -0.00007 -0.00201 -0.00940 167 4ZZ 0.00011 -0.00162 -0.00079 0.00292 0.00479 168 4XY 0.00106 -0.00264 0.00072 0.00045 -0.00625 169 4XZ -0.00210 0.00168 -0.00297 0.00289 -0.00083 170 4YZ -0.00037 0.00541 0.00051 0.00016 0.00998 171 21 H 1S 0.02384 -0.06161 0.00687 -0.01150 -0.09696 172 2S 0.01934 -0.04146 0.00604 -0.00984 -0.09520 173 22 C 1S 0.01166 -0.02567 -0.00082 -0.00548 0.00933 174 2S -0.02734 0.05412 0.00141 0.01256 -0.02442 175 2PX 0.03115 -0.01774 0.03890 0.02003 -0.09758 176 2PY 0.05035 0.04382 0.00861 0.18330 0.05953 177 2PZ -0.02283 0.04715 0.01848 -0.19486 0.16015 178 3S -0.02456 0.06454 0.00326 0.00943 -0.03265 179 3PX 0.01230 0.00066 0.02102 0.00010 -0.03220 180 3PY 0.01181 0.02202 0.00231 0.06154 0.05060 181 3PZ -0.00902 0.01194 0.00615 -0.06397 0.02403 182 4XX 0.00197 -0.00075 0.00052 -0.00189 0.00010 183 4YY 0.00018 -0.00313 0.00068 -0.00375 0.00700 184 4ZZ -0.00102 0.00144 -0.00109 0.00339 -0.00158 185 4XY 0.00053 -0.00279 -0.00066 0.00137 -0.00623 186 4XZ -0.00054 -0.00259 -0.00257 0.00240 0.00106 187 4YZ -0.00292 0.00475 -0.00091 -0.00260 0.01047 188 23 H 1S -0.01594 0.06434 0.00270 -0.03745 0.11286 189 2S -0.00700 0.04491 0.00389 -0.03640 0.10921 31 32 33 34 35 O O O O O Eigenvalues -- -0.38863 -0.37954 -0.36229 -0.35092 -0.34578 1 1 C 1S 0.00348 0.00263 -0.00281 0.00506 -0.00421 2 2S -0.00922 -0.00673 0.01100 -0.01366 0.01297 3 2PX -0.01421 -0.01277 -0.06695 0.02100 0.13020 4 2PY 0.05800 0.03375 -0.12992 0.04885 -0.01047 5 2PZ 0.02445 -0.02847 -0.01575 0.01530 0.04852 6 3S -0.01143 -0.00813 -0.03556 -0.00950 -0.00245 7 3PX 0.01427 -0.00352 -0.05282 0.00852 0.06883 8 3PY 0.01670 -0.00006 -0.01675 0.00579 -0.00141 9 3PZ -0.02114 -0.01127 -0.02271 0.02486 0.04572 10 4XX -0.00081 0.00262 -0.00075 0.00434 -0.00543 11 4YY 0.00415 0.00251 -0.00725 0.00316 -0.00418 12 4ZZ -0.00118 -0.00304 0.00725 -0.00612 0.00575 13 4XY 0.00409 0.00435 0.00248 -0.00121 -0.00321 14 4XZ 0.00123 0.00009 -0.00069 0.00206 -0.00115 15 4YZ -0.01000 -0.00370 -0.00033 -0.00044 -0.00042 16 2 C 1S -0.00299 0.00316 0.00737 -0.00809 -0.00903 17 2S 0.00681 -0.00776 -0.02033 0.01872 0.02377 18 2PX -0.00840 -0.01301 0.05125 -0.02899 0.08271 19 2PY -0.00232 -0.02895 -0.11579 0.02818 0.02893 20 2PZ 0.03888 -0.03505 0.07292 -0.07322 0.08465 21 3S 0.00169 -0.01017 0.01650 0.02759 0.01436 22 3PX 0.01413 -0.00468 0.05040 -0.01640 0.04707 23 3PY -0.00468 0.00148 -0.01626 0.00436 0.00586 24 3PZ -0.01650 -0.01473 0.04499 -0.05157 0.05320 25 4XX -0.00084 0.00264 0.00097 -0.00378 -0.00739 26 4YY 0.00147 0.00209 0.00444 0.00068 -0.00429 27 4ZZ -0.00013 -0.00249 -0.00466 0.00245 0.00679 28 4XY -0.00433 -0.00439 0.00083 -0.00023 0.00188 29 4XZ 0.00112 -0.00021 0.00084 -0.00182 -0.00042 30 4YZ 0.01076 0.00357 0.00190 -0.00224 0.00177 31 3 C 1S 0.01959 0.01072 -0.00398 0.00020 -0.00270 32 2S -0.04157 -0.02518 0.00307 -0.00197 0.00348 33 2PX 0.09357 0.08373 -0.15053 0.14599 -0.08146 34 2PY 0.20355 0.13688 0.01270 -0.02564 0.05995 35 2PZ -0.12010 -0.01594 -0.12642 0.11779 -0.01854 36 3S -0.08792 -0.03041 0.05429 0.00353 0.01974 37 3PX 0.05658 0.03606 -0.07462 0.05991 -0.03948 38 3PY 0.08654 0.06338 -0.01767 -0.00395 0.03308 39 3PZ -0.05583 -0.01114 -0.04266 0.05804 -0.00851 40 4XX 0.00423 0.00702 -0.00509 0.00647 -0.00754 41 4YY -0.00592 -0.00429 -0.00346 0.00148 -0.00162 42 4ZZ 0.00717 0.00010 0.00830 -0.00868 0.00823 43 4XY 0.00018 0.00064 -0.00918 0.00897 -0.00013 44 4XZ 0.00464 0.00191 0.00005 -0.00088 -0.00094 45 4YZ -0.00086 0.00040 -0.00911 0.00757 0.00223 46 4 H 1S 0.08405 0.01259 0.11548 -0.10918 0.04104 47 2S 0.08786 0.00961 0.11405 -0.10339 0.03530 48 5 H 1S 0.06725 0.06942 -0.10276 0.10211 -0.04342 49 2S 0.05819 0.06730 -0.09594 0.09946 -0.04624 50 6 C 1S 0.01783 0.01099 0.00969 -0.00449 -0.00156 51 2S -0.03943 -0.02565 -0.01589 0.01239 0.00118 52 2PX 0.07090 0.06471 0.17240 -0.14558 -0.08645 53 2PY -0.19809 -0.13629 -0.02122 0.02227 -0.05421 54 2PZ -0.12380 -0.02627 0.08885 -0.08043 -0.09248 55 3S -0.07056 -0.03073 -0.07623 0.01048 0.01108 56 3PX 0.04401 0.03026 0.08612 -0.06030 -0.04291 57 3PY -0.07639 -0.06300 -0.02981 0.01649 -0.02506 58 3PZ -0.05114 -0.01678 0.02432 -0.04162 -0.03559 59 4XX 0.00197 0.00539 0.00533 -0.00542 -0.00894 60 4YY -0.00691 -0.00425 0.00167 0.00074 -0.00198 61 4ZZ 0.01004 0.00166 -0.00457 0.00359 0.01085 62 4XY 0.00036 0.00034 -0.00941 0.00918 0.00019 63 4XZ 0.00245 0.00242 0.00612 -0.00438 -0.00296 64 4YZ 0.00088 -0.00013 -0.00863 0.00720 0.00239 65 7 H 1S 0.10048 0.02889 -0.07558 0.06306 0.08400 66 2S 0.10239 0.02350 -0.07506 0.05797 0.08493 67 8 H 1S 0.03860 0.05094 0.12226 -0.10995 -0.06345 68 2S 0.03435 0.05051 0.11615 -0.10777 -0.06416 69 9 H 1S 0.00686 0.01736 0.06102 -0.00495 -0.02381 70 2S 0.00479 0.02501 0.06354 -0.02061 -0.02863 71 10 H 1S 0.03669 0.02058 -0.07856 0.02847 -0.01916 72 2S 0.03726 0.02805 -0.08121 0.04534 -0.01898 73 11 C 1S 0.00438 -0.01116 -0.01285 -0.01452 -0.00740 74 2S -0.01048 0.02398 0.02687 0.03256 0.02219 75 2PX -0.06046 0.12000 -0.10129 -0.06865 -0.14608 76 2PY -0.11407 0.23241 0.00577 0.00098 0.18061 77 2PZ -0.02546 0.05412 -0.04121 0.08123 -0.06478 78 3S -0.01645 0.04404 0.05544 0.06913 0.01836 79 3PX -0.03233 0.05641 -0.06272 0.00826 -0.07571 80 3PY -0.02275 0.05987 0.02575 0.05649 0.06709 81 3PZ -0.00363 0.02549 -0.02769 0.00980 -0.05866 82 4XX 0.00332 -0.00955 0.00687 0.01081 0.00142 83 4YY -0.00448 0.00892 -0.00360 -0.01064 0.00422 84 4ZZ 0.00372 -0.00638 -0.00573 -0.00041 -0.01006 85 4XY -0.00330 0.00525 0.00423 -0.00074 -0.00069 86 4XZ -0.00478 0.00906 -0.00339 -0.00636 0.00280 87 4YZ 0.00194 -0.00364 0.00510 -0.00043 -0.00786 88 12 H 1S 0.04698 -0.08738 0.00816 -0.03256 -0.06706 89 2S 0.05556 -0.08670 0.00163 -0.03131 -0.07326 90 13 C 1S 0.00609 -0.01190 0.01224 0.01567 -0.00150 91 2S -0.01274 0.02530 -0.02583 -0.03587 0.00959 92 2PX -0.06132 0.12043 0.09585 0.09579 -0.14077 93 2PY 0.11381 -0.23173 -0.01337 0.04575 -0.17586 94 2PZ -0.02302 0.04578 0.03840 -0.06659 -0.09253 95 3S -0.03206 0.04803 -0.05409 -0.07016 -0.00974 96 3PX -0.03375 0.05382 0.06002 0.00569 -0.08419 97 3PY 0.03081 -0.05948 0.01876 0.07149 -0.04885 98 3PZ -0.00493 0.02436 0.02617 0.00307 -0.06908 99 4XX 0.00313 -0.00958 -0.00788 -0.01010 0.00032 100 4YY -0.00403 0.00883 0.00383 0.00955 0.00664 101 4ZZ 0.00375 -0.00631 0.00546 0.00239 -0.01101 102 4XY 0.00339 -0.00548 0.00392 -0.00068 -0.00096 103 4XZ -0.00479 0.00891 0.00376 0.00559 0.00428 104 4YZ -0.00180 0.00367 0.00569 -0.00196 0.00780 105 14 H 1S 0.04593 -0.08463 -0.01354 0.04712 -0.06158 106 2S 0.05322 -0.08506 -0.00663 0.04619 -0.06870 107 15 O 1S 0.02058 -0.03847 0.01921 0.03178 -0.01358 108 2S -0.03992 0.07590 -0.03612 -0.06416 0.02673 109 2PX 0.04799 -0.09376 -0.09116 0.03169 -0.05945 110 2PY 0.10334 -0.19453 0.14620 0.34908 -0.07212 111 2PZ -0.04827 0.11037 -0.22629 -0.11428 -0.09645 112 3S -0.09995 0.18280 -0.09164 -0.11582 0.07234 113 3PX 0.02942 -0.06101 -0.06732 0.02228 -0.04688 114 3PY 0.06428 -0.12254 0.09299 0.23146 -0.04252 115 3PZ -0.02948 0.06852 -0.15095 -0.08193 -0.06289 116 4XX -0.00122 0.00308 -0.00309 -0.00137 -0.00631 117 4YY 0.00802 -0.01424 0.00759 0.01692 -0.00609 118 4ZZ 0.00356 -0.00699 0.00631 -0.00069 0.00589 119 4XY 0.00074 -0.00105 -0.00262 0.00333 0.00130 120 4XZ -0.00196 0.00372 -0.00021 -0.00026 -0.00442 121 4YZ -0.00086 0.00258 -0.01120 -0.00934 -0.00534 122 16 O 1S 0.01972 -0.03808 -0.02143 -0.02704 -0.02140 123 2S -0.03843 0.07550 0.04025 0.05507 0.04240 124 2PX 0.05062 -0.09833 0.08726 -0.01986 -0.08205 125 2PY -0.09543 0.19270 0.15553 0.31661 0.16518 126 2PZ -0.04699 0.11085 0.23081 0.13479 -0.10430 127 3S -0.09526 0.17895 0.10306 0.09149 0.10189 128 3PX 0.03158 -0.06464 0.06467 -0.01323 -0.06268 129 3PY -0.05986 0.12173 0.09856 0.21126 0.10420 130 3PZ -0.02793 0.06919 0.15408 0.09533 -0.06786 131 4XX -0.00127 0.00315 0.00287 0.00256 -0.00666 132 4YY 0.00761 -0.01401 -0.00831 -0.01427 -0.01077 133 4ZZ 0.00339 -0.00678 -0.00671 -0.00059 0.00704 134 4XY -0.00077 0.00124 -0.00277 0.00367 0.00021 135 4XZ -0.00187 0.00378 0.00012 0.00113 -0.00420 136 4YZ 0.00077 -0.00264 -0.01115 -0.01047 0.00410 137 17 C 1S -0.01568 0.03018 0.00112 -0.00275 0.02254 138 2S 0.03986 -0.07464 -0.00275 0.00674 -0.05499 139 2PX 0.06834 -0.12895 -0.00448 0.00710 -0.03417 140 2PY -0.00276 0.00166 -0.08039 -0.13225 -0.02164 141 2PZ 0.05691 -0.10369 0.00228 -0.01996 0.20118 142 3S 0.03913 -0.07803 -0.00337 0.00897 -0.07693 143 3PX 0.02220 -0.05259 -0.00261 0.00512 -0.03648 144 3PY -0.00055 0.00052 -0.00722 0.00300 -0.00094 145 3PZ 0.01942 -0.02768 0.00115 -0.00580 0.05836 146 4XX 0.00214 -0.00369 -0.00025 0.00129 -0.01365 147 4YY -0.00689 0.01389 -0.00010 -0.00058 0.00254 148 4ZZ 0.00437 -0.00876 0.00052 -0.00113 0.01471 149 4XY -0.00011 -0.00021 -0.00352 -0.01632 -0.00267 150 4XZ -0.00690 0.01407 0.00001 0.00073 -0.01257 151 4YZ 0.00005 0.00013 0.01750 0.01301 0.00028 152 18 H 1S 0.04727 -0.09077 0.00134 -0.01084 0.12205 153 2S 0.03047 -0.07237 0.00154 -0.01210 0.13650 154 19 H 1S -0.03630 0.06889 -0.00009 0.00750 -0.09675 155 2S -0.04210 0.08021 0.00024 0.00704 -0.09648 156 20 C 1S -0.01961 -0.00415 0.00529 -0.00309 -0.00778 157 2S 0.04573 0.00793 -0.00418 0.00796 0.02010 158 2PX 0.07788 -0.01071 0.02461 -0.03160 0.13063 159 2PY 0.19678 0.11830 -0.02579 0.02346 -0.07808 160 2PZ -0.14114 -0.02350 0.02609 0.01810 -0.01731 161 3S 0.07425 0.01687 -0.07648 0.02396 0.00418 162 3PX 0.02931 -0.01426 0.01227 -0.00568 0.07269 163 3PY 0.05664 0.03683 -0.03367 0.00884 -0.02770 164 3PZ -0.05056 -0.01174 0.04040 0.00086 0.00702 165 4XX -0.00339 -0.00150 0.00108 -0.00057 -0.00025 166 4YY 0.00483 0.00222 0.00472 -0.00074 -0.00089 167 4ZZ -0.00819 -0.00429 -0.00292 0.00212 -0.00017 168 4XY -0.00204 -0.00118 -0.00164 0.00120 0.00223 169 4XZ 0.00520 0.00383 -0.00132 0.00041 -0.00440 170 4YZ 0.00379 0.00030 -0.00120 -0.00126 0.00324 171 21 H 1S -0.13324 -0.04544 0.00943 0.01500 -0.00735 172 2S -0.13120 -0.04469 -0.00586 0.00873 -0.00621 173 22 C 1S -0.01770 -0.00329 -0.00972 0.00780 -0.00737 174 2S 0.04108 0.00643 0.01350 -0.01812 0.01749 175 2PX 0.06083 -0.00766 -0.01067 0.00088 0.12177 176 2PY -0.19146 -0.11828 0.01369 -0.02883 0.07808 177 2PZ -0.10143 -0.02978 -0.06824 0.01164 0.04271 178 3S 0.06168 0.01235 0.09105 -0.03729 0.00509 179 3PX 0.02325 -0.01314 -0.00696 -0.01018 0.07277 180 3PY -0.04755 -0.03650 -0.01620 -0.01213 0.02556 181 3PZ -0.03934 -0.01258 -0.05767 0.01006 0.02465 182 4XX -0.00322 -0.00148 -0.00153 0.00079 0.00037 183 4YY 0.00671 0.00248 -0.00527 0.00169 -0.00024 184 4ZZ -0.00908 -0.00451 0.00290 -0.00247 -0.00028 185 4XY 0.00063 0.00135 -0.00168 0.00167 -0.00290 186 4XZ 0.00522 0.00396 0.00164 0.00049 -0.00635 187 4YZ -0.00084 -0.00058 -0.00150 -0.00109 0.00105 188 23 H 1S -0.10787 -0.04947 -0.01703 -0.01469 0.02810 189 2S -0.10717 -0.04853 -0.00322 -0.00754 0.03238 36 37 38 39 40 O O O O O Eigenvalues -- -0.32836 -0.32236 -0.31691 -0.27454 -0.19628 1 1 C 1S -0.00630 -0.00176 -0.00028 0.01377 0.01465 2 2S 0.01835 0.00060 0.00559 -0.02692 -0.02835 3 2PX 0.06730 -0.13999 0.08307 0.10200 0.26021 4 2PY -0.04388 0.00082 -0.18323 0.06425 0.08317 5 2PZ -0.06802 0.22895 0.00006 0.08647 0.15830 6 3S -0.00154 0.04374 -0.01926 -0.06638 -0.06944 7 3PX 0.03083 -0.04867 0.02940 0.06481 0.21204 8 3PY -0.00835 -0.03574 -0.05095 0.05836 0.03777 9 3PZ -0.03546 0.09458 0.00866 0.05341 0.12313 10 4XX -0.00250 -0.00682 0.00784 -0.00250 -0.00646 11 4YY -0.00324 0.00054 -0.02078 0.00197 0.00206 12 4ZZ 0.00403 0.00386 0.00945 0.00512 0.00601 13 4XY -0.00118 0.00439 0.00328 -0.00537 -0.00220 14 4XZ -0.00295 0.00191 -0.00431 0.01129 0.00460 15 4YZ 0.00241 -0.00812 0.00133 -0.00111 -0.00190 16 2 C 1S 0.01039 0.00122 -0.00343 0.01207 -0.01196 17 2S -0.02624 0.00187 0.01299 -0.02214 0.02531 18 2PX -0.07715 0.14939 0.05106 0.11321 -0.25859 19 2PY -0.01545 0.05425 0.19191 -0.05907 0.07653 20 2PZ 0.08140 -0.20180 0.02260 0.06845 -0.13999 21 3S -0.01908 -0.04618 -0.00817 -0.07232 0.04077 22 3PX -0.03850 0.05511 0.01438 0.06906 -0.21419 23 3PY -0.00583 -0.01702 0.05846 -0.06591 0.02632 24 3PZ 0.03790 -0.07977 0.01078 0.04496 -0.10712 25 4XX 0.00554 0.00612 0.00507 -0.00233 0.00680 26 4YY -0.00062 -0.00608 -0.02064 0.00167 -0.00155 27 4ZZ -0.00262 0.00071 0.01127 0.00491 -0.00626 28 4XY -0.00269 0.00301 -0.00376 0.00533 -0.00224 29 4XZ 0.00250 -0.00352 -0.00455 0.01152 -0.00728 30 4YZ 0.00284 -0.00759 -0.00109 0.00058 -0.00082 31 3 C 1S -0.00314 0.00832 0.00527 0.00333 0.00603 32 2S 0.00530 -0.02202 -0.01475 -0.00851 -0.00772 33 2PX -0.14078 0.09255 -0.01102 -0.01080 -0.06528 34 2PY 0.03143 0.02394 0.26618 -0.06270 0.01399 35 2PZ 0.00417 -0.22688 0.06967 -0.04836 -0.04909 36 3S 0.02315 -0.05149 -0.00164 -0.01456 -0.07034 37 3PX -0.07710 0.05562 -0.01832 0.00109 -0.02843 38 3PY 0.00757 0.01246 0.13375 -0.04189 0.02622 39 3PZ -0.00135 -0.12118 0.04338 -0.00315 -0.01786 40 4XX -0.00531 -0.00157 0.00786 -0.00787 -0.01506 41 4YY -0.00108 -0.00223 -0.01168 0.00189 0.00392 42 4ZZ 0.00435 0.00781 0.00614 0.00579 0.01243 43 4XY -0.00922 0.00700 0.00438 -0.00040 -0.00439 44 4XZ -0.00233 0.00731 -0.00224 0.00207 0.00246 45 4YZ -0.00090 -0.01337 -0.00032 0.00137 -0.00095 46 4 H 1S 0.03540 0.13082 0.02336 0.02369 0.07121 47 2S 0.02782 0.13827 0.02650 0.05573 0.11592 48 5 H 1S -0.08628 0.03375 0.06143 -0.03995 -0.08363 49 2S -0.08157 0.03165 0.06765 -0.04591 -0.10882 50 6 C 1S 0.00638 -0.00575 0.00593 0.00317 -0.00900 51 2S -0.01340 0.01541 -0.01716 -0.00797 0.01308 52 2PX 0.16484 -0.12538 -0.05085 -0.02123 0.06390 53 2PY -0.01434 -0.05589 -0.26505 0.06290 0.01042 54 2PZ 0.00816 0.18747 -0.00993 -0.03610 0.05222 55 3S -0.03145 0.04433 -0.00468 -0.01047 0.09461 56 3PX 0.08708 -0.07522 -0.03498 -0.02228 0.03748 57 3PY -0.01347 -0.02650 -0.13106 0.04578 0.01909 58 3PZ 0.01091 0.09909 0.00571 0.00661 0.02489 59 4XX 0.00732 0.00306 0.00413 -0.00766 0.01363 60 4YY -0.00141 -0.00072 -0.01190 0.00213 -0.00355 61 4ZZ -0.00249 -0.00509 0.01033 0.00533 -0.01119 62 4XY -0.00959 0.00603 -0.00224 0.00115 -0.00407 63 4XZ 0.00583 -0.00505 -0.00237 0.00015 0.00121 64 4YZ -0.00030 -0.01314 0.00438 -0.00196 -0.00104 65 7 H 1S -0.01951 -0.10290 0.07820 0.01453 -0.06017 66 2S -0.01177 -0.10574 0.08733 0.04333 -0.09933 67 8 H 1S 0.10816 -0.01811 0.02058 -0.04463 0.08278 68 2S 0.10705 -0.01925 0.02134 -0.03918 0.09655 69 9 H 1S 0.00142 -0.04961 -0.15418 0.02091 -0.01804 70 2S 0.00344 -0.06393 -0.17075 0.02047 -0.04580 71 10 H 1S -0.02936 0.00886 -0.15391 0.02415 0.02201 72 2S -0.03426 0.01960 -0.16989 0.02775 0.05079 73 11 C 1S -0.02786 -0.00836 0.00326 -0.00749 -0.00147 74 2S 0.06214 0.02018 -0.00931 0.02146 -0.00173 75 2PX 0.07895 0.01273 0.04415 0.06513 0.04280 76 2PY -0.03496 0.00250 -0.05929 -0.02483 0.01001 77 2PZ 0.05701 0.01648 0.02934 0.02879 0.06532 78 3S 0.09162 0.01812 -0.01422 -0.00098 0.00937 79 3PX 0.08171 0.03830 0.02903 0.05224 0.03394 80 3PY 0.00637 -0.00055 -0.01403 -0.00530 -0.03543 81 3PZ 0.02342 -0.01538 0.02471 0.01981 0.03720 82 4XX -0.00945 -0.00196 -0.00004 -0.01065 0.00653 83 4YY -0.00651 -0.00216 -0.00217 0.00077 -0.00119 84 4ZZ 0.01283 0.00278 0.00298 0.00764 -0.00353 85 4XY -0.00980 -0.00326 0.00219 -0.00053 -0.00548 86 4XZ -0.00584 -0.00179 -0.00174 -0.00766 0.00809 87 4YZ 0.00199 -0.00032 0.00253 0.00163 -0.00748 88 12 H 1S 0.04448 0.00443 0.01851 0.03175 -0.05420 89 2S 0.02547 -0.01415 0.02792 0.04239 -0.09058 90 13 C 1S 0.02772 0.00998 -0.00356 -0.00715 0.00511 91 2S -0.06324 -0.02375 0.00618 0.02094 -0.00608 92 2PX -0.04342 -0.03679 0.05966 0.06380 -0.08845 93 2PY 0.00144 -0.01424 0.06581 0.02406 -0.00548 94 2PZ -0.03869 -0.02244 0.03314 0.02890 -0.10531 95 3S -0.09146 -0.02460 0.00671 -0.00399 -0.03390 96 3PX -0.06013 -0.04918 0.04542 0.05169 -0.06800 97 3PY 0.01703 -0.00943 0.01655 0.00532 -0.05149 98 3PZ -0.00759 0.00867 0.02258 0.01805 -0.06454 99 4XX 0.00814 0.00323 -0.00288 -0.01079 -0.00905 100 4YY 0.00529 0.00197 -0.00302 0.00085 0.00129 101 4ZZ -0.01004 -0.00433 0.00565 0.00757 0.00613 102 4XY -0.01013 -0.00348 -0.00004 0.00056 -0.00268 103 4XZ 0.00462 0.00194 -0.00309 -0.00768 -0.00830 104 4YZ 0.00060 0.00085 -0.00358 -0.00181 -0.00528 105 14 H 1S -0.02921 -0.01406 0.03273 0.03188 0.05866 106 2S -0.00736 0.00599 0.03279 0.04198 0.10564 107 15 O 1S 0.01757 0.00148 0.00179 -0.00342 0.00856 108 2S -0.03729 -0.00517 -0.00354 0.00417 -0.02113 109 2PX 0.16283 0.06400 0.03173 0.14025 -0.07834 110 2PY 0.23178 0.05772 0.01431 0.02527 -0.02570 111 2PZ 0.28254 0.09335 0.01801 0.18953 -0.08773 112 3S -0.05908 0.01310 -0.00781 0.03329 -0.05008 113 3PX 0.12258 0.04937 0.02253 0.10628 -0.05399 114 3PY 0.15840 0.04348 0.01100 0.02897 -0.02468 115 3PZ 0.19646 0.06380 0.00917 0.12886 -0.07038 116 4XX 0.00484 0.00040 0.00210 0.00357 0.00333 117 4YY 0.01187 0.00217 0.00078 0.00215 -0.00232 118 4ZZ -0.00838 -0.00263 -0.00204 -0.00918 -0.00020 119 4XY 0.00722 0.00344 0.00020 0.00469 -0.00271 120 4XZ -0.00149 -0.00136 0.00120 -0.00011 0.00319 121 4YZ 0.00828 0.00268 0.00133 0.00640 -0.00375 122 16 O 1S -0.01488 -0.00310 0.00401 -0.00342 -0.00964 123 2S 0.03168 0.00842 -0.00833 0.00390 0.02217 124 2PX -0.14029 -0.07156 0.06919 0.13973 0.11154 125 2PY 0.21498 0.07017 -0.05253 -0.02871 -0.02330 126 2PZ -0.24397 -0.11665 0.08675 0.18761 0.13467 127 3S 0.04667 -0.00400 -0.01375 0.03432 0.05608 128 3PX -0.10529 -0.05585 0.05074 0.10660 0.08355 129 3PY 0.14760 0.05104 -0.03796 -0.03136 -0.02106 130 3PZ -0.17108 -0.07962 0.05811 0.12713 0.10848 131 4XX -0.00320 -0.00148 0.00303 0.00351 -0.00426 132 4YY -0.01071 -0.00318 0.00283 0.00223 0.00172 133 4ZZ 0.00670 0.00392 -0.00374 -0.00948 -0.00014 134 4XY 0.00693 0.00329 -0.00188 -0.00468 -0.00427 135 4XZ 0.00253 0.00080 0.00057 -0.00017 -0.00294 136 4YZ 0.00639 0.00357 -0.00347 -0.00607 -0.00445 137 17 C 1S -0.00218 0.00126 -0.00617 -0.00530 0.00142 138 2S 0.00530 -0.00309 0.01550 0.01458 -0.00450 139 2PX 0.00003 -0.00166 -0.00793 -0.05048 -0.00774 140 2PY -0.10028 -0.01946 0.00860 0.00108 -0.03302 141 2PZ -0.02519 0.01417 -0.06893 -0.11428 -0.00597 142 3S 0.00763 -0.00499 0.01850 0.01737 -0.00469 143 3PX 0.00287 -0.00246 0.00539 -0.01882 0.00332 144 3PY -0.00609 0.00188 0.00045 0.00011 -0.04253 145 3PZ -0.00594 0.00331 -0.01458 -0.00277 0.00209 146 4XX 0.00192 -0.00088 0.00647 0.01590 0.00176 147 4YY -0.00021 -0.00001 -0.00246 -0.00582 -0.00082 148 4ZZ -0.00210 0.00115 -0.00526 -0.01154 -0.00049 149 4XY -0.01925 -0.00617 0.00186 -0.00013 0.00519 150 4XZ 0.00180 -0.00123 0.00632 0.01621 0.00159 151 4YZ -0.01338 -0.00626 0.00203 0.00002 0.00896 152 18 H 1S -0.01553 0.00984 -0.04419 -0.08981 -0.00720 153 2S -0.01807 0.01190 -0.05206 -0.13743 -0.00829 154 19 H 1S 0.01423 -0.00736 0.04731 0.11294 0.01088 155 2S 0.01537 -0.00819 0.05271 0.13679 0.02136 156 20 C 1S 0.00592 0.00039 0.00369 -0.00850 0.00468 157 2S -0.01570 -0.01304 -0.01211 0.00642 -0.01192 158 2PX -0.01016 -0.04785 -0.00917 0.26846 -0.20655 159 2PY -0.01394 -0.01775 -0.21508 -0.00189 0.03067 160 2PZ -0.06737 0.18454 -0.02670 0.09101 -0.04800 161 3S -0.01638 0.08274 -0.01001 0.07064 0.03068 162 3PX -0.02212 0.00139 -0.00336 0.17304 -0.14285 163 3PY -0.00324 0.03269 -0.08075 -0.00255 0.06043 164 3PZ -0.02454 0.02088 -0.01779 0.04215 -0.06452 165 4XX 0.00051 0.00210 0.00199 0.00033 -0.00262 166 4YY -0.00026 -0.00163 -0.00959 0.00088 -0.00265 167 4ZZ -0.00127 0.00453 0.00967 -0.00622 0.00723 168 4XY -0.00059 0.00463 0.00052 0.00723 0.01258 169 4XZ 0.00395 -0.00672 -0.00485 -0.00273 0.00679 170 4YZ 0.00490 -0.01654 -0.00373 0.00480 0.00039 171 21 H 1S -0.04112 0.13481 0.06830 -0.02183 0.02548 172 2S -0.03876 0.16481 0.07588 -0.01643 0.04153 173 22 C 1S -0.00534 -0.00292 0.00563 -0.00870 -0.00678 174 2S 0.01228 0.01945 -0.01915 0.00834 0.01566 175 2PX -0.00902 0.05853 -0.01388 0.27015 0.16998 176 2PY 0.02053 0.05242 0.21166 0.00314 0.02318 177 2PZ 0.05223 -0.20520 0.00861 0.08060 0.02352 178 3S 0.02297 -0.08002 -0.00400 0.05654 -0.02173 179 3PX 0.01104 0.00394 -0.00437 0.16970 0.11142 180 3PY 0.01014 0.05841 0.07122 0.01004 0.05532 181 3PZ 0.01280 -0.02711 -0.01050 0.04576 0.04462 182 4XX -0.00015 -0.00213 0.00273 0.00027 0.00252 183 4YY -0.00166 0.00029 -0.00955 0.00120 0.00310 184 4ZZ 0.00291 -0.00284 0.00968 -0.00685 -0.00877 185 4XY -0.00016 0.00415 -0.00070 -0.00707 0.01421 186 4XZ -0.00394 0.00568 -0.00576 -0.00232 -0.00661 187 4YZ 0.00566 -0.01536 0.00556 -0.00555 0.00081 188 23 H 1S 0.05031 -0.12057 0.08458 -0.02865 -0.03122 189 2S 0.04859 -0.15068 0.09852 -0.02792 -0.04871 41 42 43 44 45 O V V V V Eigenvalues -- -0.19040 -0.00454 0.01542 0.08136 0.10926 1 1 C 1S -0.00646 0.02924 0.01090 -0.02743 0.01172 2 2S 0.02094 -0.05149 -0.04316 0.05283 -0.02342 3 2PX 0.01938 0.28655 0.03131 0.03149 0.16342 4 2PY -0.00359 0.09136 0.01862 0.08339 0.08158 5 2PZ -0.00198 0.18288 0.00336 0.00913 0.12949 6 3S -0.01536 -0.21533 0.03186 0.30946 -0.10161 7 3PX -0.00145 0.36736 0.05319 0.00979 0.14865 8 3PY 0.02162 0.09583 0.00348 0.17057 0.18586 9 3PZ 0.02247 0.21494 -0.02076 0.06127 0.27715 10 4XX -0.00094 0.00882 0.00237 -0.00072 0.01135 11 4YY 0.00194 0.00253 -0.00413 -0.00927 -0.00367 12 4ZZ -0.00398 -0.00196 0.00523 0.00449 -0.00481 13 4XY -0.00046 0.00668 -0.00011 0.00467 0.00792 14 4XZ -0.01126 -0.00259 0.02042 -0.00484 -0.01018 15 4YZ -0.00169 0.00217 0.00098 0.00194 0.00571 16 2 C 1S -0.00444 0.02643 -0.00987 -0.02614 -0.00634 17 2S 0.01776 -0.04621 0.04179 0.04399 0.01662 18 2PX 0.07868 0.29610 -0.01849 0.03295 -0.19108 19 2PY -0.01161 -0.09045 0.01454 -0.08589 0.07362 20 2PZ 0.02635 0.17252 0.00528 0.01370 -0.12189 21 3S -0.03106 -0.20675 -0.04205 0.36646 0.01805 22 3PX 0.04554 0.38069 -0.03738 0.02849 -0.18845 23 3PY -0.03386 -0.10947 -0.00405 -0.13095 0.13772 24 3PZ 0.04463 0.20913 0.03132 0.07061 -0.27623 25 4XX -0.00277 0.00779 -0.00243 -0.00042 -0.01011 26 4YY 0.00223 0.00229 0.00418 -0.00978 0.00228 27 4ZZ -0.00247 -0.00194 -0.00500 0.00511 0.00636 28 4XY 0.00102 -0.00674 -0.00008 -0.00453 0.00731 29 4XZ -0.00984 -0.00109 -0.02060 -0.00560 0.01004 30 4YZ 0.00196 -0.00213 0.00104 -0.00185 0.00493 31 3 C 1S -0.01346 -0.01048 0.01382 -0.05513 -0.02449 32 2S 0.02970 0.02390 -0.02659 0.07076 0.02556 33 2PX -0.03541 -0.00303 0.03034 0.01585 -0.02047 34 2PY -0.00014 -0.02523 -0.02437 0.06464 0.07166 35 2PZ 0.02704 0.03921 -0.04212 -0.13531 -0.00403 36 3S 0.09676 0.05710 -0.13584 0.83661 0.41663 37 3PX -0.00505 0.01434 0.01233 0.01730 0.00520 38 3PY 0.02106 -0.00552 -0.05773 0.20424 0.14911 39 3PZ 0.01613 0.05253 -0.04234 -0.33568 0.00588 40 4XX -0.00378 -0.01867 0.00136 -0.00608 -0.01509 41 4YY 0.00231 0.00578 -0.00029 0.00101 0.00268 42 4ZZ 0.00126 0.01153 0.00112 -0.00712 0.00751 43 4XY 0.00013 0.00132 0.00159 -0.00289 0.00015 44 4XZ -0.00211 0.00516 0.00245 -0.00383 0.00253 45 4YZ 0.00080 0.00596 -0.00133 0.00886 0.00313 46 4 H 1S 0.00095 0.02798 0.00672 -0.03967 0.02865 47 2S -0.01903 0.13101 0.04238 -0.81513 -0.13998 48 5 H 1S -0.01509 -0.05790 0.00848 -0.01395 -0.05738 49 2S -0.05697 -0.19119 0.07797 -0.36957 -0.30634 50 6 C 1S -0.01148 -0.00648 -0.01475 -0.05374 0.02421 51 2S 0.02616 0.01657 0.02740 0.07556 -0.02730 52 2PX -0.05468 -0.01637 -0.03162 0.03287 0.00110 53 2PY -0.00277 0.02836 -0.02493 -0.06404 0.06658 54 2PZ 0.01515 0.03092 0.04143 -0.11886 0.00453 55 3S 0.08143 0.02955 0.14810 0.77315 -0.42707 56 3PX -0.01556 -0.04035 -0.00900 0.12995 -0.08245 57 3PY -0.02279 0.01908 -0.06024 -0.21869 0.15539 58 3PZ 0.02788 0.05039 0.05148 -0.30960 0.00835 59 4XX -0.00680 -0.01865 -0.00186 -0.00644 0.01627 60 4YY 0.00324 0.00646 0.00047 0.00173 -0.00325 61 4ZZ 0.00357 0.01172 -0.00114 -0.00765 -0.00791 62 4XY 0.00103 -0.00055 0.00124 0.00145 -0.00002 63 4XZ -0.00284 0.00295 -0.00214 -0.00334 0.00255 64 4YZ -0.00071 -0.00584 -0.00214 -0.01013 0.00369 65 7 H 1S 0.01321 0.02570 -0.00842 -0.03674 -0.02962 66 2S 0.01348 0.12064 -0.03560 -0.79670 0.16024 67 8 H 1S -0.03456 -0.05485 -0.00839 -0.01423 0.06391 68 2S -0.08738 -0.15934 -0.09824 -0.38013 0.41048 69 9 H 1S 0.01164 0.01343 0.01555 -0.03177 0.01283 70 2S 0.01053 0.05613 0.01897 -0.43629 0.12965 71 10 H 1S 0.00806 0.01447 -0.01496 -0.03060 -0.01698 72 2S 0.00358 0.06687 -0.01874 -0.45223 -0.16299 73 11 C 1S 0.01570 -0.01317 0.04254 -0.03406 0.05691 74 2S -0.03363 0.03837 -0.09808 0.06124 -0.12038 75 2PX -0.21875 0.14889 -0.23979 0.04854 -0.03857 76 2PY 0.06759 -0.02865 0.07177 -0.09435 0.10788 77 2PZ -0.20493 0.09948 -0.22917 -0.07394 -0.06752 78 3S -0.09832 0.01465 -0.17535 0.49550 -0.48300 79 3PX -0.17016 0.16954 -0.37238 0.06710 -0.12168 80 3PY 0.07307 -0.00990 0.21211 -0.23238 0.24528 81 3PZ -0.13641 0.10968 -0.15276 -0.14871 0.11998 82 4XX -0.01162 -0.00735 0.00193 -0.00581 0.01337 83 4YY -0.00023 0.00114 0.00182 0.00061 -0.00097 84 4ZZ 0.01363 -0.00064 0.00942 -0.00039 0.00204 85 4XY -0.01200 0.01297 0.01151 0.00255 -0.00089 86 4XZ -0.00100 -0.00999 -0.00300 0.00138 -0.00476 87 4YZ -0.01019 0.01221 0.01063 -0.00229 -0.00070 88 12 H 1S 0.02916 0.03534 0.06777 -0.00849 0.03094 89 2S 0.06961 0.07978 0.30362 -0.60616 0.56341 90 13 C 1S 0.01490 -0.01171 -0.04292 -0.03698 -0.05389 91 2S -0.03245 0.03587 0.09915 0.06547 0.11288 92 2PX -0.20405 0.14349 0.24524 0.03800 0.03428 93 2PY -0.06454 0.02524 0.06860 0.10024 0.10110 94 2PZ -0.18776 0.09657 0.23391 -0.08549 0.06467 95 3S -0.09619 0.00254 0.17556 0.52977 0.44125 96 3PX -0.16004 0.16188 0.38100 0.06767 0.13449 97 3PY -0.06114 0.00393 0.20994 0.22719 0.22425 98 3PZ -0.12564 0.10418 0.15900 -0.17197 -0.12310 99 4XX -0.01003 -0.00740 -0.00233 -0.00697 -0.01286 100 4YY -0.00075 0.00162 -0.00214 0.00074 0.00018 101 4ZZ 0.01306 -0.00080 -0.00919 -0.00032 -0.00229 102 4XY 0.01291 -0.01303 0.01097 -0.00307 -0.00073 103 4XZ 0.00102 -0.01022 0.00258 0.00263 0.00454 104 4YZ 0.01127 -0.01231 0.01034 0.00128 0.00063 105 14 H 1S 0.01722 0.03689 -0.06633 -0.01048 -0.03470 106 2S 0.05057 0.08706 -0.30328 -0.61930 -0.53811 107 15 O 1S -0.00546 -0.00326 -0.01744 0.00619 -0.04846 108 2S 0.00789 0.00170 0.03517 0.00176 0.08654 109 2PX 0.16681 -0.03345 0.06687 -0.00152 -0.01387 110 2PY -0.01593 0.00761 0.04042 0.00045 0.07738 111 2PZ 0.23825 -0.08472 0.07094 0.01825 0.01558 112 3S 0.02417 0.05427 0.12150 -0.08816 0.49116 113 3PX 0.14420 -0.02897 0.04523 -0.02114 -0.08784 114 3PY -0.02082 0.02351 0.03199 0.03075 0.13766 115 3PZ 0.19574 -0.09187 0.10175 0.03053 0.01426 116 4XX -0.00443 0.00180 -0.01857 0.00848 -0.02641 117 4YY -0.00233 -0.00185 -0.00016 0.00610 -0.00108 118 4ZZ -0.00003 -0.00492 0.00506 0.00593 -0.01205 119 4XY 0.00743 0.00055 0.00177 -0.00432 -0.00238 120 4XZ 0.00094 0.00045 0.00290 -0.00226 0.00545 121 4YZ 0.00419 0.00128 0.00129 0.00265 -0.00053 122 16 O 1S -0.00335 -0.00345 0.01702 0.00724 0.04613 123 2S 0.00281 0.00126 -0.03472 -0.00210 -0.08373 124 2PX 0.14608 -0.03293 -0.06711 0.00004 0.02066 125 2PY 0.01703 -0.00709 0.04108 0.00068 0.07517 126 2PZ 0.21486 -0.08512 -0.07362 0.02559 -0.01801 127 3S 0.01169 0.05818 -0.11572 -0.09126 -0.45896 128 3PX 0.12944 -0.02644 -0.04503 -0.01398 0.10323 129 3PY 0.02249 -0.02227 0.03185 -0.02824 0.13184 130 3PZ 0.17706 -0.09202 -0.10552 0.03439 -0.02313 131 4XX -0.00355 0.00137 0.01852 0.00814 0.02559 132 4YY -0.00271 -0.00214 0.00002 0.00547 0.00043 133 4ZZ -0.00020 -0.00513 -0.00533 0.00626 0.01117 134 4XY -0.00670 -0.00061 0.00179 0.00419 -0.00239 135 4XZ 0.00149 0.00061 -0.00292 -0.00295 -0.00605 136 4YZ -0.00336 -0.00115 0.00139 -0.00272 -0.00043 137 17 C 1S 0.01251 -0.00367 -0.00004 -0.02445 -0.00134 138 2S -0.03891 0.00983 0.00010 0.05026 0.00162 139 2PX -0.06663 -0.00609 -0.00054 0.00102 -0.00540 140 2PY 0.00430 -0.00057 0.11133 0.00198 0.23800 141 2PZ -0.05219 -0.01228 0.00093 0.01928 0.00571 142 3S -0.04458 0.01600 0.00017 0.27150 0.02614 143 3PX 0.03385 -0.01241 -0.00089 -0.04529 -0.01625 144 3PY 0.00481 -0.00064 0.17648 0.00612 0.61122 145 3PZ 0.02458 0.02002 0.00229 0.07462 0.01212 146 4XX 0.01664 -0.00256 0.00002 -0.00505 0.00014 147 4YY -0.00640 0.00083 0.00001 -0.00205 -0.00043 148 4ZZ -0.00609 -0.00134 -0.00011 -0.00250 -0.00010 149 4XY -0.00067 0.00010 -0.01133 -0.00002 -0.01849 150 4XZ 0.01473 -0.00080 -0.00012 0.00335 -0.00046 151 4YZ -0.00096 -0.00003 -0.00443 0.00042 0.00607 152 18 H 1S -0.06826 0.00375 0.00011 -0.01652 0.00051 153 2S -0.08018 0.00150 -0.00015 -0.26013 -0.02274 154 19 H 1S 0.10105 -0.00924 -0.00003 -0.00459 -0.00073 155 2S 0.20194 -0.04188 -0.00079 -0.11680 -0.01949 156 20 C 1S -0.00275 -0.00458 0.00472 -0.02246 -0.02355 157 2S 0.00287 0.01155 -0.00388 0.05236 0.04769 158 2PX -0.12845 -0.15919 -0.23762 -0.01953 0.20234 159 2PY 0.02373 0.03664 0.00251 -0.02171 0.00845 160 2PZ -0.07118 -0.06039 -0.11449 0.04440 0.08501 161 3S -0.00397 0.04116 -0.02558 0.17195 0.24664 162 3PX -0.11855 -0.21089 -0.30764 -0.08647 0.33395 163 3PY 0.01890 0.02303 0.05495 -0.04845 -0.08866 164 3PZ -0.06605 -0.08513 -0.15309 0.13079 0.19406 165 4XX 0.00064 0.00739 -0.00032 -0.00257 -0.00425 166 4YY 0.00035 0.00484 0.00205 0.00442 -0.00748 167 4ZZ -0.00427 -0.01268 0.00088 -0.00486 0.00799 168 4XY -0.00755 -0.01744 0.01254 -0.00401 -0.00700 169 4XZ -0.00337 -0.01040 -0.00105 0.00269 0.00536 170 4YZ -0.00175 -0.00162 0.00533 0.00859 -0.00443 171 21 H 1S -0.00976 -0.01366 0.01172 -0.03243 -0.01253 172 2S -0.00135 -0.06118 0.04290 -0.36868 -0.15986 173 22 C 1S -0.00149 -0.00416 -0.00518 -0.02251 0.01727 174 2S -0.00032 0.01132 0.00612 0.04854 -0.04250 175 2PX -0.17040 -0.17654 0.23265 -0.01421 -0.21152 176 2PY -0.02818 -0.03483 -0.00004 0.01938 0.01935 177 2PZ -0.08129 -0.07001 0.11176 0.04714 -0.07547 178 3S -0.00230 0.02747 0.02764 0.21801 -0.13200 179 3PX -0.14775 -0.23176 0.29785 -0.06262 -0.33240 180 3PY -0.02921 -0.01374 0.05250 0.03579 -0.05228 181 3PZ -0.07793 -0.09030 0.15171 0.09989 -0.18812 182 4XX 0.00006 0.00751 0.00050 -0.00297 0.00342 183 4YY -0.00028 0.00499 -0.00174 0.00468 0.00771 184 4ZZ -0.00272 -0.01315 -0.00109 -0.00437 -0.00946 185 4XY 0.00464 0.01668 0.01312 0.00430 -0.00695 186 4XZ -0.00166 -0.00981 0.00083 0.00240 -0.00426 187 4YZ 0.00153 0.00142 0.00537 -0.00836 -0.00556 188 23 H 1S -0.00483 -0.01486 -0.01241 -0.03189 0.00475 189 2S 0.00656 -0.06639 -0.04794 -0.35093 0.06268 46 47 48 49 50 V V V V V Eigenvalues -- 0.11285 0.11961 0.13025 0.13421 0.14556 1 1 C 1S -0.00376 0.01034 0.01906 0.04199 0.00966 2 2S 0.00472 -0.01998 -0.02719 -0.06110 -0.01239 3 2PX -0.00792 0.05643 0.00004 0.10473 -0.08271 4 2PY 0.02450 -0.04455 -0.05541 -0.14013 -0.13075 5 2PZ 0.01344 0.00380 -0.01555 0.06185 -0.06831 6 3S 0.04333 -0.11976 -0.24922 -0.73036 -0.22142 7 3PX 0.08272 0.08293 -0.01197 0.19972 -0.13922 8 3PY 0.13722 -0.13311 -0.17501 -0.42881 -0.42937 9 3PZ 0.08400 0.15654 0.10633 -0.00068 -0.07970 10 4XX -0.00785 -0.00333 -0.00332 0.01051 -0.00461 11 4YY 0.00232 0.00848 0.01008 0.00267 0.00319 12 4ZZ 0.00321 -0.00201 -0.00222 -0.00417 0.00147 13 4XY 0.00545 0.00270 -0.00082 0.00320 -0.01054 14 4XZ 0.00201 0.00442 0.00039 0.00100 0.00217 15 4YZ 0.00838 -0.00156 -0.00089 -0.00338 -0.00268 16 2 C 1S 0.00586 0.01497 0.03533 -0.02180 -0.00865 17 2S -0.01982 -0.03094 -0.05173 0.03175 0.00808 18 2PX 0.00327 0.05963 0.05483 -0.09745 0.09721 19 2PY -0.03654 0.06406 0.11761 -0.08921 -0.12976 20 2PZ 0.04375 0.00860 0.01681 -0.05779 0.06715 21 3S 0.02408 -0.15361 -0.54012 0.45862 0.21178 22 3PX 0.12464 0.11007 0.09425 -0.19501 0.18083 23 3PY -0.09372 0.21525 0.36426 -0.26354 -0.40245 24 3PZ 0.09729 0.12377 0.06605 0.10183 0.05209 25 4XX -0.00441 -0.00149 0.00314 -0.01193 0.00486 26 4YY 0.00120 0.00829 0.00976 0.00438 -0.00425 27 4ZZ 0.00434 -0.00226 -0.00476 0.00373 -0.00100 28 4XY -0.00672 -0.00261 -0.00060 0.00251 -0.01142 29 4XZ -0.00030 0.00475 0.00095 -0.00064 -0.00228 30 4YZ -0.00921 0.00272 0.00268 -0.00152 -0.00346 31 3 C 1S 0.03779 -0.01049 -0.01432 0.04716 -0.02466 32 2S -0.05747 -0.00843 0.00112 -0.03631 0.04246 33 2PX -0.16817 -0.00664 -0.02034 -0.01087 -0.02444 34 2PY -0.04394 0.02588 0.01709 -0.01083 -0.06436 35 2PZ -0.04133 -0.11140 -0.06824 0.10351 -0.02723 36 3S -0.56479 0.33012 0.38147 -0.91464 0.25225 37 3PX -0.50501 -0.08270 -0.04515 -0.03374 0.00967 38 3PY -0.23418 0.09211 0.05304 0.19673 -0.09600 39 3PZ -0.07574 -0.28487 -0.19897 0.31321 -0.13600 40 4XX 0.01468 -0.00259 -0.00181 -0.00138 0.00474 41 4YY -0.00228 -0.00325 -0.00236 0.00440 -0.00912 42 4ZZ -0.00347 0.00170 0.00182 0.00724 -0.00115 43 4XY 0.01091 0.00324 0.00427 0.00294 0.00013 44 4XZ 0.00556 -0.00512 -0.00341 0.00058 -0.00323 45 4YZ 0.00720 0.00037 -0.00546 0.00234 -0.00337 46 4 H 1S -0.03561 -0.01470 0.00045 0.02206 -0.01099 47 2S -0.06796 -0.46375 -0.33297 0.61264 -0.20840 48 5 H 1S 0.07250 -0.00007 -0.00008 -0.00931 0.01704 49 2S 1.01362 0.02309 -0.01505 0.21783 0.03145 50 6 C 1S 0.03715 0.00081 0.01616 -0.05340 0.02567 51 2S -0.04235 -0.01229 -0.01966 0.03568 -0.03961 52 2PX -0.18537 0.00851 -0.01572 0.01831 -0.00353 53 2PY 0.02959 -0.01684 -0.00237 -0.03230 -0.05411 54 2PZ -0.05237 -0.07607 0.01117 -0.13361 0.00875 55 3S -0.65594 0.08809 -0.22177 1.10256 -0.29569 56 3PX -0.49400 0.00524 -0.00369 0.05622 -0.06252 57 3PY 0.15937 -0.10682 -0.12166 0.10228 -0.09042 58 3PZ -0.22592 -0.21543 0.03588 -0.38711 0.07840 59 4XX 0.01306 -0.00152 -0.00178 0.00045 -0.00508 60 4YY -0.00088 -0.00213 0.00074 -0.00577 0.01075 61 4ZZ -0.00286 0.00197 0.00553 -0.00631 0.00032 62 4XY -0.01026 -0.00423 -0.00537 -0.00090 -0.00066 63 4XZ 0.00863 -0.00492 -0.00346 -0.00167 0.00253 64 4YZ -0.00623 -0.00176 0.00257 0.00517 -0.00451 65 7 H 1S -0.03698 -0.00724 0.01623 -0.01467 0.00045 66 2S -0.08557 -0.30275 0.12593 -0.79906 0.13788 67 8 H 1S 0.07127 -0.00017 -0.00668 0.00710 -0.01078 68 2S 1.02759 0.05003 0.07031 -0.21558 0.05581 69 9 H 1S 0.00162 0.02685 0.03103 0.02078 -0.03615 70 2S -0.07521 0.40285 0.73937 -0.49188 -0.57944 71 10 H 1S 0.00986 0.02844 0.03580 0.00378 0.03183 72 2S -0.11597 0.29460 0.38538 0.85259 0.61070 73 11 C 1S 0.01702 -0.00851 -0.01061 -0.03766 -0.01368 74 2S -0.05002 -0.01010 0.04451 0.05529 0.00720 75 2PX 0.08195 0.08694 -0.00364 -0.05697 0.21519 76 2PY -0.01221 -0.05522 -0.03131 -0.02335 0.04920 77 2PZ -0.12164 -0.04763 0.00012 -0.20114 0.05722 78 3S -0.08921 0.30842 0.10865 0.65668 0.33172 79 3PX 0.29470 0.08468 0.02004 0.08460 0.40311 80 3PY 0.06113 -0.18547 -0.11403 -0.10202 0.28211 81 3PZ -0.26382 -0.08585 0.05989 -0.60123 0.02169 82 4XX 0.00932 0.00543 -0.00272 -0.00443 -0.00203 83 4YY -0.01104 -0.00323 0.00651 -0.00674 -0.00737 84 4ZZ -0.00187 -0.00143 -0.00167 0.00152 -0.00131 85 4XY 0.01152 0.00772 -0.00034 0.00368 -0.01164 86 4XZ -0.01196 -0.00190 0.00022 0.00505 -0.00500 87 4YZ -0.01653 -0.00359 -0.00507 0.00514 0.00413 88 12 H 1S -0.03904 -0.01902 -0.01225 -0.01598 0.03709 89 2S -0.32331 -0.38532 -0.13377 -0.89865 0.02043 90 13 C 1S 0.01707 -0.01955 -0.03046 0.02974 0.01182 91 2S -0.05454 0.00799 0.07217 -0.03509 -0.00325 92 2PX 0.06518 0.06604 -0.04939 0.07858 -0.24768 93 2PY 0.01131 0.07074 0.04365 -0.00126 0.04226 94 2PZ -0.14669 -0.07550 -0.09236 0.12990 -0.00610 95 3S -0.05788 0.44738 0.42470 -0.47298 -0.35632 96 3PX 0.27741 0.08595 0.02687 0.01659 -0.49945 97 3PY -0.05170 0.22157 0.16215 -0.01524 0.26846 98 3PZ -0.31271 -0.18405 -0.22691 0.44775 0.10031 99 4XX 0.00953 0.00317 -0.00583 0.00571 0.00015 100 4YY -0.01221 -0.00407 0.00304 0.00627 0.00940 101 4ZZ -0.00102 -0.00120 -0.00056 -0.00204 0.00138 102 4XY -0.01175 -0.00868 -0.00118 -0.00022 -0.00907 103 4XZ -0.01162 -0.00001 0.00411 -0.00801 0.00751 104 4YZ 0.01515 0.00163 0.00019 0.01240 -0.00191 105 14 H 1S -0.03684 -0.02437 -0.01707 -0.00503 -0.02141 106 2S -0.36698 -0.54734 -0.53362 0.52620 0.16874 107 15 O 1S -0.03141 0.00585 0.01036 -0.00904 -0.05366 108 2S 0.05355 -0.00649 0.00234 0.00983 0.06702 109 2PX 0.12506 0.00958 0.02262 0.01463 -0.14913 110 2PY 0.04826 -0.00028 -0.00967 -0.00502 0.05630 111 2PZ -0.07403 -0.01917 0.00058 0.06609 -0.02522 112 3S 0.37157 -0.11339 -0.16135 0.15752 0.71228 113 3PX 0.19844 -0.03605 0.06399 0.05275 -0.21392 114 3PY 0.10735 -0.04598 -0.02119 0.04530 0.17338 115 3PZ -0.12828 0.02873 -0.00658 0.08053 -0.04152 116 4XX -0.01022 -0.00496 0.01435 -0.00527 -0.02166 117 4YY -0.00536 -0.00040 0.00911 -0.00293 -0.01338 118 4ZZ -0.00713 0.00501 0.00500 0.00188 -0.02592 119 4XY 0.00013 -0.00339 -0.00557 0.00084 -0.00090 120 4XZ -0.00266 0.00910 -0.00658 -0.00513 0.00718 121 4YZ -0.00220 0.00106 -0.00001 -0.00109 -0.00187 122 16 O 1S -0.03408 0.01091 0.00910 0.00707 0.06161 123 2S 0.05883 -0.01665 -0.00051 0.00430 -0.08091 124 2PX 0.12609 0.01568 0.02292 0.03545 0.11099 125 2PY -0.05061 0.01071 0.01672 -0.00691 0.06650 126 2PZ -0.06348 -0.00419 0.04197 -0.07581 0.04446 127 3S 0.39987 -0.15770 -0.11461 -0.15470 -0.80793 128 3PX 0.19364 -0.01837 0.07631 0.03970 0.14607 129 3PY -0.11464 0.05801 0.00857 0.03648 0.19814 130 3PZ -0.11511 0.04640 0.04329 -0.09114 0.07142 131 4XX -0.01215 -0.00326 0.01178 0.00897 0.02403 132 4YY -0.00511 -0.00062 0.00717 0.00646 0.01475 133 4ZZ -0.00672 0.00746 0.00693 0.00009 0.02768 134 4XY -0.00010 0.00249 0.00420 0.00437 -0.00189 135 4XZ -0.00282 0.00750 -0.00897 0.00216 -0.00684 136 4YZ 0.00214 -0.00130 0.00017 0.00004 -0.00328 137 17 C 1S -0.00231 0.05283 -0.09911 -0.02389 0.00187 138 2S 0.00753 -0.07879 0.15944 0.03985 -0.00431 139 2PX -0.02420 0.21072 -0.19018 -0.04068 0.00114 140 2PY -0.00867 0.01208 -0.01070 0.06685 0.30411 141 2PZ 0.00671 -0.11500 0.03681 -0.00562 0.01484 142 3S 0.04777 -0.95695 1.49922 0.34778 -0.01905 143 3PX -0.05582 0.63256 -0.48889 -0.09546 -0.00027 144 3PY -0.02150 0.03582 -0.01716 0.13547 0.81378 145 3PZ -0.00258 -0.33563 0.11512 -0.01653 0.04431 146 4XX 0.00537 0.00189 -0.00663 -0.00112 -0.00012 147 4YY -0.00959 -0.00025 -0.00333 -0.00229 0.00118 148 4ZZ 0.00130 0.01254 -0.01122 -0.00166 -0.00040 149 4XY 0.00074 -0.00083 0.00046 -0.00356 -0.01776 150 4XZ -0.00210 0.00493 -0.00175 -0.00070 0.00015 151 4YZ 0.00018 0.00102 0.00191 -0.00510 0.01530 152 18 H 1S 0.02204 0.03645 -0.05395 -0.00749 -0.00474 153 2S -0.00595 0.99545 -0.97787 -0.16478 -0.03961 154 19 H 1S 0.01738 0.03926 -0.04006 -0.00666 -0.00138 155 2S -0.04431 0.77635 -1.11338 -0.27671 0.03729 156 20 C 1S -0.01284 0.03224 0.02496 0.00154 -0.00194 157 2S 0.02098 -0.05245 -0.02305 -0.00155 -0.01460 158 2PX -0.07085 0.06961 -0.01477 0.10653 -0.15105 159 2PY -0.00633 0.07599 0.06773 -0.01516 -0.04303 160 2PZ 0.01336 -0.10858 -0.10869 0.04356 -0.01118 161 3S 0.13325 -0.62790 -0.45297 -0.03256 0.30004 162 3PX -0.11229 0.07755 0.04980 0.13397 -0.26218 163 3PY -0.06668 0.21242 0.07651 0.14115 0.03169 164 3PZ 0.03882 -0.21874 -0.21797 0.14597 -0.03072 165 4XX -0.00408 0.00308 0.00219 -0.00551 -0.00014 166 4YY 0.00296 -0.00320 -0.00053 0.00549 0.00767 167 4ZZ -0.00458 0.00084 0.00620 -0.00058 -0.00609 168 4XY -0.00369 0.00203 0.00410 -0.00269 0.00348 169 4XZ -0.00049 -0.00239 -0.00489 0.00314 -0.00300 170 4YZ 0.00394 -0.00884 -0.01046 -0.00702 0.00308 171 21 H 1S -0.01800 0.02623 0.05438 0.00179 0.00534 172 2S -0.24878 0.75916 0.57939 0.01860 -0.23371 173 22 C 1S -0.01309 0.03258 0.02117 0.01495 -0.00043 174 2S 0.02178 -0.05617 -0.02075 -0.01014 0.01605 175 2PX -0.03339 0.07914 0.04064 -0.08274 0.14865 176 2PY -0.00125 -0.06700 -0.04368 -0.05926 -0.03466 177 2PZ 0.03136 -0.10241 -0.06694 -0.11992 0.01782 178 3S 0.17732 -0.60140 -0.37467 -0.33053 -0.23703 179 3PX -0.05382 0.09073 0.11116 -0.06634 0.24884 180 3PY 0.00901 -0.23828 -0.12417 0.03736 0.06498 181 3PZ 0.05158 -0.22395 -0.11283 -0.28437 0.05218 182 4XX -0.00505 0.00213 -0.00101 0.00536 0.00065 183 4YY 0.00273 -0.00203 0.00198 -0.00410 -0.00787 184 4ZZ -0.00205 0.00070 0.00543 0.00316 0.00579 185 4XY 0.00524 -0.00134 -0.00163 -0.00535 0.00451 186 4XZ -0.00063 -0.00223 -0.00255 -0.00525 0.00379 187 4YZ -0.00243 0.00901 0.01203 0.00060 0.00276 188 23 H 1S -0.01340 0.02450 0.04560 0.02956 -0.00853 189 2S -0.21749 0.75592 0.47720 0.42583 0.16652 51 52 53 54 55 V V V V V Eigenvalues -- 0.15455 0.16959 0.17135 0.17509 0.17942 1 1 C 1S -0.03724 -0.02206 0.03903 -0.07197 0.02700 2 2S 0.05898 0.01862 -0.03946 0.07867 -0.05712 3 2PX -0.05126 -0.04049 -0.04502 0.12223 -0.01846 4 2PY 0.03209 0.13607 -0.02229 0.07234 0.00408 5 2PZ -0.03581 -0.05289 0.02981 -0.02876 0.03190 6 3S 0.60518 0.48602 -0.73511 1.27690 -0.31749 7 3PX -0.15249 -0.02792 -0.18483 0.31480 -0.04254 8 3PY 0.16657 0.36662 0.01135 0.23240 -0.07840 9 3PZ -0.02735 -0.25724 0.09788 -0.08749 0.03395 10 4XX -0.00296 -0.00163 0.00253 -0.00385 0.01148 11 4YY 0.00302 -0.00771 -0.00128 -0.00403 -0.00727 12 4ZZ -0.00565 0.00382 0.00658 -0.00691 0.00002 13 4XY -0.00634 0.00560 -0.00067 0.00534 -0.00656 14 4XZ -0.00078 -0.00407 -0.00074 0.00356 0.00102 15 4YZ -0.00436 -0.00877 0.00216 -0.00175 0.00340 16 2 C 1S -0.04285 0.03693 0.04548 -0.07406 0.01235 17 2S 0.07751 -0.03529 -0.05852 0.08491 -0.02538 18 2PX -0.01353 0.02837 -0.04044 0.09966 -0.00403 19 2PY -0.03033 0.14690 -0.00199 -0.05859 0.01357 20 2PZ -0.03119 0.06536 0.04195 -0.03919 0.01348 21 3S 0.55453 -0.74168 -0.74668 1.30537 -0.21532 22 3PX -0.11434 -0.00779 -0.13436 0.24681 -0.02393 23 3PY -0.25205 0.41290 -0.01154 -0.21589 0.02769 24 3PZ -0.03610 0.29331 0.09780 -0.10264 0.04468 25 4XX -0.00199 0.00069 0.00303 -0.00367 0.00964 26 4YY 0.00364 0.00829 -0.00453 -0.00208 -0.00368 27 4ZZ -0.00935 -0.00047 0.01042 -0.00881 -0.00431 28 4XY 0.00427 0.00491 -0.00185 -0.00238 0.00613 29 4XZ 0.00096 0.00293 -0.00317 0.00496 0.00353 30 4YZ 0.00427 -0.00853 -0.00042 0.00029 -0.00580 31 3 C 1S 0.00456 0.05301 -0.04347 0.05647 0.00643 32 2S -0.01416 -0.06239 0.04503 -0.05147 -0.00466 33 2PX 0.15973 -0.00267 -0.01827 -0.04953 -0.03962 34 2PY 0.01144 0.11560 0.02648 -0.06002 -0.01060 35 2PZ 0.09165 0.02136 -0.00799 -0.09050 0.11537 36 3S -0.01959 -0.82761 0.79418 -1.03040 -0.22176 37 3PX 0.40551 0.01606 -0.14580 -0.01743 0.01177 38 3PY -0.08540 0.30037 0.16758 -0.29135 -0.03452 39 3PZ 0.18518 0.12293 0.07976 -0.31070 0.31870 40 4XX 0.00309 -0.00072 0.00150 -0.00087 -0.00877 41 4YY -0.00722 0.01906 0.00050 0.00170 0.00020 42 4ZZ 0.00381 -0.00925 -0.00936 0.01073 0.00850 43 4XY -0.00847 -0.00100 0.00560 -0.00820 0.00249 44 4XZ -0.00248 0.00203 0.00505 -0.00855 0.00652 45 4YZ -0.00327 0.00175 -0.00167 0.01417 -0.00960 46 4 H 1S 0.02223 -0.01499 -0.01431 -0.01476 0.06048 47 2S 0.49764 0.22124 -0.35618 0.05858 0.54792 48 5 H 1S -0.02673 0.01070 0.02673 -0.01970 -0.02758 49 2S -0.58960 0.18424 -0.15040 0.55169 0.01155 50 6 C 1S 0.01983 -0.06774 -0.03623 0.04201 0.02791 51 2S -0.04671 0.07961 0.04170 -0.03325 -0.02796 52 2PX 0.17136 -0.00087 -0.04635 -0.01811 -0.07094 53 2PY -0.00712 0.09719 -0.06551 0.09082 0.04477 54 2PZ 0.12541 -0.03114 -0.02749 -0.07957 0.11486 55 3S -0.16370 1.09023 0.61092 -0.78023 -0.52228 56 3PX 0.35094 -0.04477 -0.21713 0.09555 -0.11077 57 3PY 0.10049 0.20372 -0.32395 0.42807 0.14607 58 3PZ 0.38260 -0.14030 -0.01128 -0.29673 0.35741 59 4XX 0.00255 0.00078 -0.00118 0.00199 -0.00600 60 4YY -0.00585 -0.01830 0.00440 -0.00180 0.00084 61 4ZZ 0.00529 0.00550 -0.01026 0.00967 0.01276 62 4XY 0.00822 -0.00298 -0.00484 0.00759 -0.00173 63 4XZ -0.00416 -0.00112 0.00811 -0.00958 0.00107 64 4YZ 0.00123 0.00223 0.00230 -0.01416 0.00918 65 7 H 1S 0.03142 0.00694 -0.02744 -0.00865 0.07604 66 2S 0.69203 -0.43214 -0.45882 0.07832 0.76672 67 8 H 1S -0.03183 -0.00081 0.02707 -0.01700 -0.02283 68 2S -0.58962 -0.22667 -0.02941 0.41309 0.22018 69 9 H 1S 0.00595 0.05736 -0.01301 -0.02706 -0.00794 70 2S -0.50262 0.91449 0.25923 -0.75135 0.13035 71 10 H 1S 0.00693 -0.05293 0.00168 -0.03750 -0.01388 72 2S -0.44610 -0.75722 0.28903 -0.77401 0.19298 73 11 C 1S 0.01926 -0.02126 0.02806 -0.01886 -0.05219 74 2S -0.02353 0.03266 -0.04642 0.04108 0.06582 75 2PX 0.14564 0.10599 0.01459 -0.09907 -0.01916 76 2PY 0.01351 0.02500 0.06040 -0.04499 -0.09975 77 2PZ -0.15284 -0.05403 0.04624 0.07979 -0.07360 78 3S -0.17392 0.24343 -0.40089 0.19609 0.97708 79 3PX 0.40333 0.28977 0.00684 -0.20896 -0.02040 80 3PY 0.14012 -0.07698 0.11438 -0.07785 -0.39079 81 3PZ -0.37506 -0.24964 0.14221 0.14945 -0.21552 82 4XX 0.00577 -0.00042 0.00356 -0.00343 -0.00286 83 4YY -0.00780 -0.01155 0.00183 0.00341 0.00360 84 4ZZ 0.00173 -0.00018 0.00300 0.00078 -0.00634 85 4XY 0.00652 -0.00373 -0.00313 -0.01283 -0.00300 86 4XZ -0.01032 -0.00310 -0.00402 0.01063 0.01478 87 4YZ -0.02170 0.00469 -0.00234 0.01273 -0.00511 88 12 H 1S -0.03937 0.00435 0.02245 0.03212 -0.07279 89 2S -0.38496 -0.40186 0.46077 0.07948 -0.96436 90 13 C 1S 0.02186 0.03195 0.01833 -0.01565 -0.03016 91 2S -0.02436 -0.05034 -0.03266 0.03657 0.03616 92 2PX 0.09174 -0.09344 0.01613 -0.08661 -0.00963 93 2PY -0.00144 -0.00465 -0.06127 0.04418 0.09521 94 2PZ -0.16429 0.05844 0.00915 0.10604 -0.01291 95 3S -0.23494 -0.39983 -0.24959 0.14430 0.60667 96 3PX 0.30107 -0.26771 0.05190 -0.20868 -0.08095 97 3PY -0.06549 -0.14953 -0.10964 0.05799 0.41622 98 3PZ -0.39136 0.26256 0.01230 0.23267 -0.00728 99 4XX 0.00645 0.00203 0.00226 -0.00314 -0.00063 100 4YY -0.00717 0.01059 -0.00062 0.00491 0.00755 101 4ZZ 0.00296 0.00140 0.00301 0.00020 -0.00565 102 4XY -0.00861 -0.00518 0.00369 0.01274 0.00284 103 4XZ -0.00968 -0.00063 -0.00215 0.00948 0.01243 104 4YZ 0.02180 0.00529 0.00014 -0.01150 0.00871 105 14 H 1S -0.04513 0.00482 0.01918 0.03485 -0.06341 106 2S -0.40857 0.54469 0.28246 0.17616 -0.62724 107 15 O 1S -0.04711 -0.03345 0.00019 0.02180 0.05692 108 2S 0.06990 0.02940 -0.00179 -0.03540 -0.07781 109 2PX 0.12708 -0.08153 0.06605 -0.07183 -0.00354 110 2PY 0.06323 0.05669 -0.01846 -0.03746 -0.15360 111 2PZ -0.06875 0.00037 0.03138 0.11454 0.05755 112 3S 0.60457 0.50313 -0.02030 -0.27254 -0.76561 113 3PX 0.25405 -0.09909 0.12664 -0.11858 -0.00416 114 3PY 0.15880 0.14520 -0.05316 -0.06190 -0.32114 115 3PZ -0.11457 0.01882 0.09228 0.19885 0.12913 116 4XX -0.01481 -0.02105 -0.00004 0.01096 0.01825 117 4YY -0.01097 -0.01057 0.00180 0.00187 0.01230 118 4ZZ -0.01711 -0.01908 -0.00630 0.00611 0.02752 119 4XY -0.00231 -0.00107 -0.00238 0.00037 -0.01028 120 4XZ -0.00195 0.00359 0.00585 -0.00081 0.00574 121 4YZ -0.00649 -0.00364 -0.00857 -0.00348 0.00301 122 16 O 1S -0.03416 0.02526 -0.00595 0.02394 0.05959 123 2S 0.05413 -0.01799 0.00064 -0.03461 -0.07541 124 2PX 0.16005 0.09747 0.04626 -0.06556 0.01058 125 2PY -0.04508 0.04202 0.00979 0.03917 0.14902 126 2PZ -0.06220 -0.01056 0.04451 0.10562 0.04087 127 3S 0.43105 -0.39862 0.08424 -0.31457 -0.82852 128 3PX 0.30070 0.12676 0.10949 -0.11716 -0.00078 129 3PY -0.11279 0.11711 0.02463 0.06914 0.32843 130 3PZ -0.10402 -0.03133 0.11097 0.18628 0.10769 131 4XX -0.00926 0.01745 -0.00499 0.01364 0.02170 132 4YY -0.00784 0.00963 -0.00181 0.00341 0.01606 133 4ZZ -0.01052 0.01456 -0.00901 0.00736 0.02744 134 4XY 0.00176 -0.00177 0.00208 -0.00022 0.01150 135 4XZ -0.00346 -0.00291 0.00568 -0.00057 0.00729 136 4YZ 0.00603 -0.00248 0.00957 0.00295 -0.00437 137 17 C 1S -0.00404 0.00330 -0.00558 -0.00813 -0.06773 138 2S 0.01484 -0.00465 0.00049 -0.00382 0.10109 139 2PX -0.07176 -0.01264 -0.12442 -0.12221 0.19107 140 2PY 0.03619 0.17592 -0.01750 0.00984 0.01760 141 2PZ -0.12609 -0.01248 -0.39894 -0.19127 -0.13626 142 3S 0.05424 -0.03806 0.07629 0.14775 0.75881 143 3PX -0.17575 -0.04123 -0.29234 -0.24337 0.63421 144 3PY 0.10013 0.50762 -0.04409 0.02421 0.02967 145 3PZ -0.34468 -0.02732 -1.05236 -0.46895 -0.49339 146 4XX 0.00243 0.00109 -0.00254 -0.00744 -0.01534 147 4YY -0.00923 -0.00057 -0.00494 0.00621 -0.00922 148 4ZZ 0.00301 0.00017 0.00780 -0.00273 0.01753 149 4XY -0.00221 -0.01306 0.00170 -0.00080 -0.00101 150 4XZ -0.00524 -0.00130 -0.00802 -0.00064 0.01127 151 4YZ 0.00171 0.00809 -0.00052 0.00005 -0.00073 152 18 H 1S 0.03982 0.00487 0.06380 -0.01486 0.02449 153 2S 0.42692 0.05968 1.29886 0.48877 0.29375 154 19 H 1S 0.00256 -0.00127 -0.04515 -0.03808 -0.00404 155 2S -0.46604 -0.04691 -1.23526 -0.76250 -0.18003 156 20 C 1S 0.01860 0.04240 -0.02816 0.03230 -0.00662 157 2S -0.01894 -0.05266 0.04718 -0.05577 -0.03730 158 2PX -0.01031 0.02925 0.00676 0.01155 -0.03238 159 2PY 0.03933 0.04982 -0.04237 0.06158 -0.02811 160 2PZ -0.01113 -0.08783 0.00481 -0.01023 0.08069 161 3S -0.30327 -0.86268 0.39351 -0.54163 0.29829 162 3PX 0.02264 0.13492 -0.02185 0.00911 -0.06327 163 3PY 0.21737 -0.02009 -0.16018 0.26027 -0.09418 164 3PZ -0.06506 -0.32451 0.00806 -0.02613 0.08019 165 4XX -0.00109 0.00131 -0.00224 0.00391 0.00207 166 4YY -0.00050 0.00092 0.00395 -0.00480 -0.00487 167 4ZZ 0.00618 0.00281 -0.00622 0.00238 -0.00694 168 4XY 0.00304 -0.00034 0.00386 -0.00892 0.00003 169 4XZ -0.00618 -0.00074 0.00426 -0.00284 0.00090 170 4YZ 0.00251 0.00048 0.00142 0.00327 0.00650 171 21 H 1S 0.02362 0.02002 -0.03323 0.00832 -0.02838 172 2S 0.30699 0.72467 -0.32544 0.44965 -0.33449 173 22 C 1S 0.01426 -0.04910 -0.01541 0.02439 -0.02259 174 2S -0.00681 0.07095 0.02398 -0.04204 -0.00331 175 2PX 0.01588 -0.02262 0.02883 -0.01345 -0.03516 176 2PY -0.03028 0.05806 0.02029 -0.04896 0.05223 177 2PZ -0.00263 0.08229 0.00231 -0.01534 0.09779 178 3S -0.35097 0.94128 0.24169 -0.42301 0.45269 179 3PX 0.04482 -0.12901 0.05321 -0.06054 -0.11273 180 3PY -0.15296 0.02106 0.10148 -0.24840 0.20335 181 3PZ 0.01200 0.31736 -0.06356 -0.00852 0.21250 182 4XX -0.00122 -0.00243 -0.00219 0.00379 0.00246 183 4YY -0.00123 0.00111 0.00353 -0.00405 -0.00468 184 4ZZ 0.00456 -0.00325 -0.00367 0.00091 -0.00937 185 4XY -0.00252 -0.00159 -0.00300 0.00824 -0.00069 186 4XZ -0.00396 0.00164 0.00349 -0.00304 0.00203 187 4YZ -0.00215 0.00167 -0.00091 -0.00373 -0.00625 188 23 H 1S 0.01270 -0.02244 -0.02277 0.00507 -0.04355 189 2S 0.22803 -0.78017 -0.11504 0.33393 -0.61763 56 57 58 59 60 V V V V V Eigenvalues -- 0.19674 0.20308 0.21222 0.23760 0.24444 1 1 C 1S -0.00372 -0.06158 -0.01500 0.00887 -0.01164 2 2S 0.01837 0.11276 0.01728 -0.00115 0.03343 3 2PX -0.01331 -0.01074 0.01857 -0.13781 0.02944 4 2PY 0.09107 0.08451 0.03729 0.09965 -0.10876 5 2PZ 0.04355 0.00639 -0.01040 0.03915 -0.05344 6 3S 0.04934 0.61175 0.29719 -0.21642 -0.12664 7 3PX -0.30024 -0.17605 -0.08746 -0.45890 0.21664 8 3PY 0.40970 0.72123 0.12653 0.57766 -0.43497 9 3PZ 0.02750 0.07841 0.04243 0.08844 -0.51032 10 4XX 0.00415 -0.00388 -0.00345 0.00647 0.00052 11 4YY -0.00053 0.00151 -0.00116 0.00308 -0.00814 12 4ZZ -0.00344 -0.00990 0.00114 -0.00738 0.00526 13 4XY -0.00778 -0.00234 0.00147 -0.00394 0.01314 14 4XZ 0.00205 0.01004 0.00033 0.00242 -0.00288 15 4YZ 0.00303 0.00856 -0.00488 -0.00985 -0.01810 16 2 C 1S 0.00062 0.05167 -0.02152 0.03865 -0.01479 17 2S -0.01528 -0.10339 0.02978 -0.06136 -0.00126 18 2PX -0.01645 0.03147 0.00944 -0.08925 0.07880 19 2PY 0.06151 0.07270 -0.06569 -0.19050 0.04905 20 2PZ -0.04388 -0.00469 0.01029 0.12998 -0.05006 21 3S 0.03009 -0.42234 0.30252 -0.55861 0.57376 22 3PX 0.23795 0.18979 -0.11508 -0.41073 0.25112 23 3PY 0.26470 0.69340 -0.32422 -0.84599 0.31704 24 3PZ 0.00912 -0.05808 0.11846 0.66723 0.07079 25 4XX -0.00368 0.00388 -0.00437 0.00353 -0.00420 26 4YY 0.00031 -0.00311 -0.00349 -0.00331 0.00815 27 4ZZ 0.00337 0.00958 0.00238 0.00509 -0.00551 28 4XY -0.01028 -0.00098 -0.00296 0.00505 0.00710 29 4XZ -0.00151 -0.00926 0.00188 0.00014 0.00273 30 4YZ 0.00465 0.00924 0.00176 -0.01295 -0.01517 31 3 C 1S -0.09208 0.03035 -0.01061 0.01631 0.05018 32 2S 0.06527 -0.07424 0.00907 -0.02710 -0.05539 33 2PX 0.18127 0.00607 0.04598 0.09071 0.13611 34 2PY -0.02435 -0.08121 0.01866 0.10074 0.28584 35 2PZ 0.03391 0.01734 -0.03138 0.13144 -0.10820 36 3S 1.84344 -0.10214 0.22736 -0.17649 -0.87167 37 3PX 0.49209 -0.14085 0.07328 0.27905 0.56017 38 3PY -0.44651 -0.48734 0.04025 0.53402 1.11482 39 3PZ 0.32341 0.19808 -0.03855 0.71348 -0.51878 40 4XX -0.00260 0.00358 0.00443 -0.00783 -0.00557 41 4YY -0.01276 -0.00035 -0.00223 0.01035 0.02286 42 4ZZ -0.00597 0.00660 -0.00537 0.00039 -0.01121 43 4XY 0.00374 -0.00192 -0.00252 0.00950 0.00073 44 4XZ 0.00318 -0.00527 -0.00005 0.01410 -0.01336 45 4YZ 0.00428 0.00277 0.00847 -0.00803 0.00180 46 4 H 1S 0.00062 0.03048 -0.02918 0.06482 -0.08648 47 2S -0.09380 0.46667 -0.19465 0.76153 -0.59417 48 5 H 1S -0.00397 0.01673 0.01398 -0.00714 -0.04401 49 2S -1.15922 0.37485 -0.17453 -0.52532 -0.65101 50 6 C 1S 0.08442 -0.02262 -0.00847 -0.07019 -0.02126 51 2S -0.05474 0.06422 -0.00424 0.05951 0.03888 52 2PX -0.17682 0.01037 0.00486 -0.20434 -0.06465 53 2PY -0.03831 -0.07188 -0.02047 0.05134 0.30399 54 2PZ -0.09132 0.00419 -0.06871 -0.03258 0.03666 55 3S -1.69107 -0.03235 0.27599 1.35107 0.22896 56 3PX -0.53121 0.20445 -0.16165 -1.05016 -0.11265 57 3PY -0.47026 -0.42896 -0.01556 0.27754 1.25778 58 3PZ -0.45774 -0.16371 -0.15147 0.20026 0.00400 59 4XX 0.00378 -0.00376 0.00369 -0.00921 0.01234 60 4YY 0.01301 -0.00049 -0.00115 -0.00878 -0.02436 61 4ZZ 0.00346 -0.00469 -0.00496 0.00473 0.01169 62 4XY 0.00378 0.00028 0.00400 0.00014 0.00601 63 4XZ -0.00059 0.00447 0.00185 0.02275 -0.00560 64 4YZ 0.00243 0.00225 -0.00791 0.00875 -0.00975 65 7 H 1S -0.00346 -0.02582 -0.03712 0.04291 0.01926 66 2S -0.08477 -0.33635 -0.37049 -0.36177 0.43559 67 8 H 1S 0.01495 -0.02361 0.02402 0.05606 0.02720 68 2S 1.19097 -0.37982 0.12948 0.66441 0.49633 69 9 H 1S -0.01231 0.02960 -0.03039 -0.01523 0.05638 70 2S 0.26921 0.93563 -0.50303 -0.70731 0.30063 71 10 H 1S 0.00566 -0.03616 -0.00931 -0.00276 -0.05092 72 2S -0.47433 -1.04590 -0.26488 -0.61105 0.38945 73 11 C 1S -0.04905 -0.00398 0.05193 0.00792 -0.00353 74 2S 0.06719 0.02807 -0.10878 -0.01644 -0.00818 75 2PX -0.05950 0.04487 0.06342 0.00060 0.01655 76 2PY -0.01139 -0.01549 0.14860 -0.03443 0.05008 77 2PZ -0.13203 -0.00179 0.04764 0.09485 -0.04356 78 3S 0.77415 -0.18009 -0.68557 -0.13532 0.22610 79 3PX 0.07988 0.06784 0.05937 -0.00281 0.13205 80 3PY -0.03122 -0.33118 0.28713 -0.03153 0.27694 81 3PZ -0.39267 -0.05830 0.09026 0.27824 -0.14883 82 4XX -0.00319 -0.00253 0.00347 0.00102 0.00060 83 4YY -0.01262 -0.00116 0.00375 0.00371 -0.00626 84 4ZZ -0.00038 0.00156 -0.00039 -0.00247 0.00092 85 4XY 0.00056 -0.00032 0.01268 -0.00749 0.00465 86 4XZ 0.00270 0.00157 -0.00166 -0.00400 -0.00187 87 4YZ 0.00802 0.00004 -0.00940 -0.00123 -0.00156 88 12 H 1S -0.02085 -0.01351 -0.02034 0.01814 -0.00731 89 2S -0.77723 -0.20459 0.67805 0.28839 -0.05577 90 13 C 1S 0.05109 0.00540 0.04113 -0.04507 0.02233 91 2S -0.07020 -0.03473 -0.08224 0.08765 -0.03166 92 2PX 0.04002 -0.03651 0.06285 -0.09002 0.02802 93 2PY -0.01556 -0.02558 -0.13830 0.06630 0.00117 94 2PZ 0.14404 0.00165 0.01662 -0.06122 0.01853 95 3S -0.84764 0.21152 -0.59770 0.62930 -0.47296 96 3PX -0.09204 -0.06201 0.08974 -0.01366 -0.12397 97 3PY -0.09228 -0.29819 -0.19797 0.14549 0.18310 98 3PZ 0.42356 0.02655 -0.03671 -0.27122 0.14525 99 4XX 0.00280 0.00320 0.00120 -0.00450 0.00143 100 4YY 0.01076 0.00324 0.00178 -0.00218 0.00459 101 4ZZ 0.00121 -0.00300 0.00081 -0.00144 0.00093 102 4XY 0.00303 -0.00240 -0.01235 0.00745 -0.00292 103 4XZ -0.00343 0.00101 0.00045 0.00855 -0.00009 104 4YZ 0.00576 0.00366 0.00756 -0.00599 0.00194 105 14 H 1S 0.03485 -0.00876 -0.02782 -0.02709 0.00983 106 2S 0.88736 0.13681 0.46349 -0.69193 0.25380 107 15 O 1S -0.00209 0.00448 0.03459 0.00480 -0.00116 108 2S -0.00343 -0.01059 -0.03047 -0.00892 0.00642 109 2PX -0.01898 -0.02055 0.16755 -0.03356 0.07002 110 2PY -0.00303 -0.02556 -0.21240 0.03160 -0.03455 111 2PZ 0.04759 0.00191 -0.13984 -0.01598 -0.02212 112 3S 0.06896 -0.03161 -0.56696 -0.05670 0.00672 113 3PX -0.01780 -0.03397 0.31942 -0.07327 0.13957 114 3PY 0.03774 -0.02367 -0.48332 0.03205 -0.06320 115 3PZ 0.07297 0.00151 -0.24486 -0.01124 -0.06789 116 4XX -0.00449 0.00063 0.00889 0.00612 0.00101 117 4YY -0.00454 0.00302 0.01421 -0.00096 -0.00020 118 4ZZ 0.00403 -0.00047 0.02020 -0.00236 0.00292 119 4XY 0.00487 -0.00350 -0.00385 -0.00127 0.00313 120 4XZ -0.00460 0.00243 0.01166 -0.00016 -0.00075 121 4YZ -0.00282 0.00249 0.00740 -0.00038 -0.00133 122 16 O 1S -0.00820 0.01610 0.03248 0.00399 -0.00545 123 2S 0.01464 -0.01341 -0.03433 -0.02943 0.01779 124 2PX -0.00529 0.05749 0.14737 -0.09566 -0.00452 125 2PY -0.04322 0.06009 0.21345 -0.02038 -0.01681 126 2PZ -0.04210 -0.02358 -0.11886 0.06384 -0.00143 127 3S 0.08465 -0.26984 -0.50475 0.04859 0.02288 128 3PX -0.02024 0.10415 0.29958 -0.11627 -0.04554 129 3PY -0.04664 0.15952 0.46473 -0.06861 -0.02920 130 3PZ -0.06921 -0.03582 -0.21484 0.10566 0.02035 131 4XX 0.00152 0.00593 0.00690 -0.00162 -0.00374 132 4YY 0.00050 0.00296 0.01238 -0.01006 0.00568 133 4ZZ -0.00938 0.01145 0.01806 -0.00037 -0.00171 134 4XY 0.00229 -0.00062 0.00353 -0.00222 0.00359 135 4XZ 0.00238 0.00082 0.01090 -0.00571 0.00355 136 4YZ -0.00120 -0.00055 -0.00732 0.00318 -0.00297 137 17 C 1S 0.00948 -0.02206 -0.11689 0.01177 -0.00436 138 2S -0.01628 0.03408 0.18708 -0.02946 0.01285 139 2PX -0.03026 0.04893 0.23319 -0.03676 0.01507 140 2PY 0.02360 0.03137 -0.01004 -0.04330 -0.03585 141 2PZ 0.01724 -0.00142 0.01141 0.03591 -0.01664 142 3S -0.10783 0.28629 1.59339 -0.15267 0.05802 143 3PX -0.09149 0.18329 0.92007 -0.08155 0.02656 144 3PY -0.01679 0.21621 -0.03804 -0.08049 -0.19945 145 3PZ 0.06016 -0.03371 -0.09904 0.09185 -0.04166 146 4XX 0.00115 -0.00191 -0.00142 -0.00320 0.00189 147 4YY 0.00261 -0.00428 -0.02742 0.00799 -0.00372 148 4ZZ -0.00331 0.00495 0.02768 -0.00724 0.00329 149 4XY 0.00048 -0.00235 0.00058 0.00251 0.00473 150 4XZ -0.00155 0.00306 0.01318 -0.00163 0.00062 151 4YZ -0.00504 0.00102 -0.00032 0.00264 -0.00224 152 18 H 1S -0.00753 0.00573 0.04612 -0.02656 0.01297 153 2S -0.03405 -0.07257 -0.50015 -0.06800 0.03250 154 19 H 1S -0.00210 0.00604 0.04382 -0.01008 0.00485 155 2S 0.01342 0.00645 0.02252 0.06600 -0.03147 156 20 C 1S -0.00939 -0.07903 0.02114 0.02151 -0.00730 157 2S 0.00737 0.14981 -0.03623 -0.03756 0.00994 158 2PX -0.01901 -0.06061 0.05183 -0.03804 -0.12300 159 2PY 0.03761 -0.03632 0.02365 0.01336 -0.05769 160 2PZ -0.05912 0.07899 -0.05386 -0.04860 0.15289 161 3S -0.02406 0.76729 -0.41124 -0.63423 0.16619 162 3PX -0.06449 -0.45306 0.11965 0.06406 -0.45677 163 3PY 0.08790 -0.38569 0.18367 0.03292 -0.29550 164 3PZ -0.07410 0.68034 -0.18818 -0.17505 0.74049 165 4XX -0.00251 0.00209 0.00236 0.00300 0.00171 166 4YY -0.00790 -0.01573 0.00278 0.01325 -0.00394 167 4ZZ -0.00025 -0.00408 -0.00407 -0.01787 0.00121 168 4XY 0.00097 0.00400 -0.00174 0.00596 0.00276 169 4XZ 0.00296 -0.00062 0.00201 0.00663 -0.00612 170 4YZ -0.00117 -0.00552 0.00251 0.00672 -0.00939 171 21 H 1S 0.00349 -0.04110 -0.00815 -0.03990 0.01344 172 2S 0.15045 -1.31624 0.47582 0.31615 -1.03161 173 22 C 1S 0.01758 0.08210 -0.00253 -0.00101 -0.00224 174 2S -0.02383 -0.15808 0.00558 -0.01644 0.00737 175 2PX 0.02468 0.06757 0.03861 0.08001 0.09292 176 2PY 0.00827 -0.03738 -0.02970 -0.12685 0.01884 177 2PZ 0.01610 -0.07310 -0.01623 -0.08411 -0.08953 178 3S -0.15550 -0.82985 -0.11136 -0.02831 0.19018 179 3PX 0.14071 0.43906 -0.00893 0.32346 0.26599 180 3PY -0.02021 -0.40757 -0.13426 -0.52837 0.01288 181 3PZ -0.03865 -0.66742 0.04193 -0.42494 -0.44256 182 4XX 0.00265 -0.00052 0.00300 0.00061 -0.00353 183 4YY 0.00762 0.01480 -0.00368 -0.00300 -0.00334 184 4ZZ -0.00101 0.00261 -0.00298 -0.00375 0.00993 185 4XY 0.00109 0.00486 0.00072 -0.00164 0.00686 186 4XZ -0.00116 0.00000 0.00059 0.00489 0.00067 187 4YZ -0.00038 -0.00651 0.00029 -0.00617 -0.00206 188 23 H 1S 0.00142 0.03693 -0.01171 -0.00905 0.01571 189 2S 0.13232 1.33356 0.08859 0.79233 0.47293 61 62 63 64 65 V V V V V Eigenvalues -- 0.25239 0.30470 0.31751 0.32881 0.37581 1 1 C 1S -0.04186 0.05535 0.04758 -0.01625 0.00566 2 2S 0.05241 -0.06232 -0.04285 -0.00807 0.06275 3 2PX 0.10607 -0.15903 0.07470 0.05184 0.00562 4 2PY -0.15324 0.03816 0.12788 0.02018 -0.00647 5 2PZ -0.12974 -0.00007 -0.22544 0.02755 0.01691 6 3S 0.88798 -1.40003 -1.39893 0.49268 -0.47042 7 3PX 0.43505 -0.56495 0.46050 -0.00505 0.00742 8 3PY -0.70059 0.13754 0.87939 -0.16422 0.31184 9 3PZ -0.60468 0.13955 -1.40791 0.16613 -0.18879 10 4XX 0.00022 0.00841 -0.00096 0.01085 -0.00641 11 4YY 0.00903 -0.02070 -0.00098 -0.00894 0.00471 12 4ZZ -0.01214 0.01892 0.00789 -0.00557 0.00759 13 4XY -0.00233 -0.00721 0.00505 -0.01091 -0.01071 14 4XZ 0.00445 -0.00960 0.00434 0.00008 -0.00010 15 4YZ -0.00758 0.01381 -0.01869 0.00350 -0.00700 16 2 C 1S -0.00136 -0.05071 0.05628 0.00949 -0.00718 17 2S -0.00571 0.05904 -0.04627 0.01349 -0.06031 18 2PX 0.08049 0.17306 0.04991 -0.05526 -0.00372 19 2PY 0.10103 0.04221 -0.12626 0.03811 0.00203 20 2PZ -0.04039 -0.05130 -0.22675 0.00707 -0.01353 21 3S -0.07798 1.22990 -1.63947 -0.28251 0.50662 22 3PX 0.43512 0.69974 0.34601 -0.02210 0.00314 23 3PY 0.51159 0.07974 -0.87735 -0.05074 0.32799 24 3PZ -0.23208 -0.43371 -1.41023 -0.02009 0.19753 25 4XX -0.00176 -0.00707 -0.00013 -0.01040 0.00675 26 4YY -0.01211 0.01877 -0.00257 0.00848 -0.00476 27 4ZZ 0.01283 -0.01762 0.01125 0.00518 -0.00805 28 4XY -0.01082 -0.01016 -0.00394 -0.00997 -0.01111 29 4XZ -0.00248 0.01181 0.00234 -0.00075 0.00077 30 4YZ -0.00021 0.01908 0.01600 0.00226 -0.00657 31 3 C 1S 0.04988 -0.01470 0.01287 0.00389 0.00419 32 2S -0.03326 0.01911 -0.01109 0.00274 -0.01655 33 2PX 0.22489 -0.08719 -0.00079 -0.06402 0.01155 34 2PY -0.12793 0.13294 -0.08112 -0.04428 -0.02374 35 2PZ 0.09747 0.22940 -0.05965 0.03398 0.02317 36 3S -1.06988 0.18457 -0.50501 -0.19497 0.06627 37 3PX 1.17140 -0.38456 0.10212 -0.03580 0.02593 38 3PY -0.52740 0.46921 -0.33016 -0.21385 -0.13537 39 3PZ 0.08158 0.97728 0.02089 0.03084 0.16668 40 4XX 0.00850 0.00239 -0.00359 -0.01240 0.00483 41 4YY -0.00716 0.00866 0.01213 -0.00318 -0.00134 42 4ZZ 0.00993 -0.01232 -0.00846 0.01203 0.00103 43 4XY -0.00283 -0.00768 -0.02331 -0.00209 -0.00201 44 4XZ -0.01740 0.01085 0.00295 -0.00211 -0.00003 45 4YZ 0.00951 0.00362 0.00470 0.00070 -0.00093 46 4 H 1S 0.00624 0.01105 -0.02382 0.04324 0.00642 47 2S 1.11740 0.56927 0.07136 0.27845 0.18728 48 5 H 1S -0.04540 -0.00748 -0.04545 -0.02956 0.01241 49 2S -0.71995 -0.08618 0.14571 0.23741 -0.02075 50 6 C 1S 0.01400 0.02177 0.00981 -0.00282 -0.00317 51 2S -0.01107 -0.02683 -0.00734 -0.00953 0.01661 52 2PX -0.06238 0.11299 0.01074 0.07406 0.00200 53 2PY -0.07817 0.14878 0.06296 -0.04987 -0.02572 54 2PZ -0.18361 -0.25859 0.00201 -0.01339 -0.02816 55 3S -0.37245 -0.37951 -0.45979 0.19128 -0.08844 56 3PX -0.21499 0.47785 0.10366 0.06564 -0.00779 57 3PY -0.14446 0.57437 0.24525 -0.22937 -0.12219 58 3PZ -0.86348 -1.03432 0.25025 -0.03087 -0.17770 59 4XX 0.00092 -0.00386 -0.00028 0.01211 -0.00433 60 4YY 0.00379 -0.00831 0.01335 0.00106 0.00067 61 4ZZ -0.00472 0.01359 -0.01239 -0.01027 -0.00039 62 4XY 0.01165 0.00234 0.02282 -0.00325 -0.00098 63 4XZ -0.00930 -0.01154 0.00491 0.00384 0.00016 64 4YZ -0.00390 0.00512 -0.00498 0.00208 -0.00065 65 7 H 1S -0.07612 0.01884 -0.04343 -0.04929 0.00180 66 2S -0.99766 -0.64791 0.29975 -0.21497 -0.19074 67 8 H 1S -0.01820 -0.03571 -0.04101 0.02745 -0.01261 68 2S 0.50741 0.20134 -0.00546 -0.25991 0.01932 69 9 H 1S -0.04976 0.07489 -0.02998 0.04064 -0.00434 70 2S 0.53144 -0.10109 -0.40993 0.15146 0.15980 71 10 H 1S 0.05033 -0.08340 -0.02482 -0.03884 0.00389 72 2S 0.55149 0.09792 -0.43739 -0.09800 -0.14461 73 11 C 1S 0.03477 0.01521 -0.00976 -0.01759 -0.10963 74 2S -0.07213 -0.02125 0.03319 -0.02204 0.10578 75 2PX 0.04607 0.03399 0.00032 0.13617 -0.11759 76 2PY -0.00450 -0.00887 0.02846 0.23040 0.16042 77 2PZ 0.06123 0.07558 -0.05128 -0.08953 0.25011 78 3S -0.52123 -0.27599 0.25927 1.24930 2.61313 79 3PX -0.07508 -0.13933 0.10271 0.67479 -1.08711 80 3PY -0.15119 -0.06094 0.03973 1.77070 1.82749 81 3PZ 0.30935 0.23361 -0.05510 -0.34872 1.05837 82 4XX 0.00535 0.00147 0.00129 0.00196 0.01168 83 4YY 0.00440 0.00522 0.00421 -0.02383 -0.02634 84 4ZZ -0.00233 0.00129 -0.00243 0.00677 0.00837 85 4XY 0.00101 0.00037 -0.00623 -0.00515 -0.00287 86 4XZ -0.00538 -0.00263 -0.00562 -0.01558 0.01093 87 4YZ -0.00607 -0.00188 -0.00142 -0.00094 -0.00544 88 12 H 1S 0.01861 0.02244 -0.00082 0.04536 -0.08131 89 2S 0.43698 0.32923 -0.23665 0.28455 1.10642 90 13 C 1S -0.03620 -0.01489 -0.00087 0.01475 0.10903 91 2S 0.06580 0.01729 0.02247 0.02825 -0.10607 92 2PX -0.03948 -0.03741 -0.00423 -0.14599 0.11143 93 2PY 0.01160 -0.01363 0.00001 0.24262 0.16850 94 2PZ -0.11504 -0.08772 -0.02445 0.09895 -0.24625 95 3S 0.66897 0.31503 -0.00441 -1.21060 -2.59685 96 3PX 0.04405 0.13666 0.00290 -0.68213 1.08235 97 3PY -0.05441 -0.03255 0.20656 1.77544 1.85696 98 3PZ -0.38609 -0.23410 0.04316 0.36856 -1.02604 99 4XX -0.00010 0.00058 0.00151 -0.00138 -0.01101 100 4YY -0.00625 -0.00510 0.00785 0.02345 0.02621 101 4ZZ 0.00033 -0.00220 -0.00292 -0.00742 -0.00904 102 4XY -0.00106 0.00132 0.00552 -0.00467 -0.00210 103 4XZ 0.00681 0.00126 -0.00510 0.01694 -0.01071 104 4YZ -0.00071 -0.00042 0.00189 0.00002 -0.00448 105 14 H 1S -0.04080 -0.02347 0.00333 -0.05332 0.07872 106 2S -0.68878 -0.38403 -0.18484 -0.32976 -1.12452 107 15 O 1S -0.00176 0.00159 -0.00044 -0.01982 0.03967 108 2S 0.02502 0.01907 -0.00107 0.05358 -0.02483 109 2PX 0.03628 0.00859 0.01278 0.20687 -0.19669 110 2PY 0.01642 -0.00431 -0.02122 -0.07249 -0.00794 111 2PZ -0.02201 -0.00292 -0.01694 -0.13481 0.12176 112 3S -0.07298 -0.11170 -0.00201 0.19026 -0.93757 113 3PX -0.01414 -0.04083 0.02785 0.50563 -0.38763 114 3PY 0.00953 -0.00163 -0.00916 -0.20255 -0.29709 115 3PZ -0.01485 0.00978 -0.02028 -0.33492 0.26203 116 4XX 0.00199 0.00637 -0.00303 0.00378 0.01622 117 4YY 0.01015 0.00817 -0.00014 -0.00994 0.00167 118 4ZZ 0.00126 0.00454 0.00141 0.00272 0.02696 119 4XY -0.00476 0.00128 0.00223 0.02195 0.02839 120 4XZ 0.00393 0.00167 0.00080 0.00137 0.01172 121 4YZ 0.00333 0.00503 -0.00188 -0.01372 -0.00931 122 16 O 1S 0.00026 -0.00151 0.00161 0.02123 -0.03918 123 2S -0.00435 -0.01452 -0.00099 -0.05754 0.02433 124 2PX 0.00435 -0.00247 -0.00420 -0.21297 0.19551 125 2PY 0.02750 -0.00059 0.01114 -0.07607 -0.00453 126 2PZ 0.04788 0.00208 -0.00598 0.14176 -0.11917 127 3S 0.02353 0.09144 -0.04265 -0.20060 0.92997 128 3PX 0.04025 0.03859 -0.03537 -0.51182 0.38548 129 3PY 0.01157 0.00010 -0.01824 -0.20955 -0.28978 130 3PZ 0.05163 -0.00489 0.01567 0.33992 -0.26443 131 4XX -0.00174 -0.00661 -0.00219 -0.00302 -0.01610 132 4YY -0.00345 -0.00631 0.00351 0.00939 -0.00130 133 4ZZ 0.00525 -0.00257 0.00172 -0.00275 -0.02670 134 4XY -0.00333 0.00133 0.00055 0.02200 0.02844 135 4XZ -0.00442 -0.00094 0.00145 -0.00219 -0.01150 136 4YZ 0.00213 0.00497 -0.00091 -0.01315 -0.00858 137 17 C 1S -0.00018 -0.00031 -0.00291 0.00007 -0.00003 138 2S 0.00255 -0.00027 -0.00446 -0.00124 -0.00102 139 2PX 0.00979 0.00006 0.00358 -0.00036 -0.00129 140 2PY -0.02693 0.00239 0.00063 -0.03270 0.34498 141 2PZ -0.01985 -0.00051 -0.00950 0.00138 0.00412 142 3S -0.00758 0.00453 0.02486 -0.00030 0.00208 143 3PX 0.00091 0.00348 0.04915 0.00245 0.00242 144 3PY 0.03143 0.01282 -0.05479 -0.93990 -0.13202 145 3PZ -0.06412 -0.00474 -0.02445 -0.01215 -0.00352 146 4XX 0.00006 0.00013 -0.00102 -0.00057 -0.00011 147 4YY -0.00251 -0.00082 -0.00497 0.00059 -0.00007 148 4ZZ 0.00236 0.00037 0.00102 -0.00020 0.00003 149 4XY -0.00008 0.00073 0.00049 0.01228 -0.02167 150 4XZ 0.00096 0.00006 0.00177 0.00022 -0.00017 151 4YZ 0.00351 -0.00090 0.00014 0.00452 0.00611 152 18 H 1S 0.00948 0.00127 0.00406 -0.00129 -0.00025 153 2S 0.07747 0.00256 0.02527 0.00132 0.00075 154 19 H 1S 0.00148 0.00087 0.00938 -0.00091 -0.00006 155 2S -0.03978 -0.00285 0.00398 0.00058 -0.00034 156 20 C 1S 0.00964 -0.04968 -0.05835 -0.01205 0.01569 157 2S -0.00890 0.04831 0.03842 0.03136 -0.00961 158 2PX -0.02408 -0.07009 0.04231 0.02945 0.00941 159 2PY -0.12685 0.17984 -0.05395 0.01299 0.02129 160 2PZ -0.01248 -0.02647 -0.14273 -0.03328 0.04548 161 3S -0.11087 1.47461 1.91801 0.26768 -0.67856 162 3PX -0.05763 -0.22840 0.31610 0.06645 -0.06973 163 3PY -0.53399 1.20909 -0.82278 0.20391 -0.24271 164 3PZ -0.02837 0.01309 -1.20210 -0.12750 0.44936 165 4XX -0.00188 0.00447 0.00268 -0.00289 0.00744 166 4YY 0.00304 -0.02327 0.01064 -0.00226 -0.00717 167 4ZZ 0.00222 0.01432 -0.02256 0.00819 -0.00136 168 4XY -0.00411 -0.00120 0.01172 -0.00235 -0.00146 169 4XZ -0.00059 -0.01655 -0.00033 0.00095 0.01011 170 4YZ -0.00267 -0.00512 -0.03068 0.00159 -0.00196 171 21 H 1S 0.00573 0.07718 0.08173 -0.00785 -0.02663 172 2S -0.23620 0.15416 0.18624 0.11217 -0.19509 173 22 C 1S -0.02474 0.03937 -0.06382 0.01935 -0.01472 174 2S 0.02587 -0.05195 0.04378 -0.03225 0.00658 175 2PX -0.03792 0.06073 0.02877 -0.03092 -0.01233 176 2PY -0.00419 0.19871 0.02957 0.01000 0.02513 177 2PZ 0.10585 0.01145 -0.14485 0.04911 -0.04322 178 3S 0.76109 -1.10264 2.07412 -0.50666 0.66115 179 3PX -0.25611 0.26033 0.26690 -0.10956 0.06238 180 3PY -0.04329 1.35177 0.65061 0.11032 -0.24407 181 3PZ 0.46011 -0.15603 -1.16017 0.27650 -0.43304 182 4XX 0.00050 -0.00436 0.00347 0.00255 -0.00742 183 4YY -0.01800 0.02112 0.00644 0.00140 0.00613 184 4ZZ 0.01520 -0.01633 -0.01999 -0.00490 0.00228 185 4XY 0.00347 -0.00221 -0.01163 -0.00075 -0.00064 186 4XZ -0.01054 0.01555 -0.00271 -0.00150 -0.01071 187 4YZ 0.00958 0.00139 0.03141 -0.00249 -0.00236 188 23 H 1S 0.04960 -0.05819 0.09170 -0.00220 0.02636 189 2S -0.63954 -0.16927 0.21114 -0.13835 0.18452 66 67 68 69 70 V V V V V Eigenvalues -- 0.43331 0.47126 0.48258 0.48746 0.50610 1 1 C 1S -0.07302 0.01565 0.04747 0.01148 -0.00911 2 2S 0.05436 -0.11941 0.00706 0.03541 -0.02499 3 2PX 0.09409 0.10394 0.13363 -0.14173 0.00159 4 2PY -0.11587 0.07995 0.06794 -0.04915 -0.03859 5 2PZ -0.17183 -0.08229 -0.11877 0.08528 -0.29351 6 3S 2.10714 -0.28017 -2.35196 -0.32040 0.07130 7 3PX 0.71560 -0.14825 0.78810 0.34620 -0.03704 8 3PY -1.77426 0.14456 1.10034 0.27655 -0.01773 9 3PZ -0.25653 0.19219 -2.27444 -0.27572 0.52595 10 4XX -0.00471 -0.00963 -0.01408 -0.00344 0.02589 11 4YY -0.00259 0.00736 -0.00791 -0.00019 -0.00458 12 4ZZ 0.01460 -0.00814 0.02147 0.01598 -0.01471 13 4XY 0.00594 0.00590 0.00471 0.01640 -0.01395 14 4XZ -0.00888 0.01522 0.01302 0.01718 0.00287 15 4YZ 0.01700 0.01713 -0.01271 -0.02491 0.02815 16 2 C 1S 0.07595 -0.00252 -0.04821 0.00962 0.00535 17 2S -0.07022 -0.11008 -0.00567 0.03966 -0.02849 18 2PX -0.08283 0.10373 -0.12590 -0.13928 0.03201 19 2PY -0.13223 -0.05060 0.06388 0.04613 0.02580 20 2PZ 0.16210 -0.10757 0.10385 0.09554 -0.30804 21 3S -2.12201 0.25568 2.31490 -0.23452 -0.45656 22 3PX -0.68350 0.04566 -0.79087 0.34263 -0.15953 23 3PY -1.77739 0.23531 1.03642 -0.21672 -0.30513 24 3PZ 0.23504 0.13867 2.29197 -0.25227 0.44097 25 4XX 0.00261 -0.00978 0.01252 -0.00340 0.02759 26 4YY 0.00237 0.00763 0.01182 0.00002 -0.00554 27 4ZZ -0.01203 -0.00867 -0.02523 0.01708 -0.01516 28 4XY 0.00362 -0.00813 0.00499 -0.01476 0.01605 29 4XZ 0.01036 0.01497 -0.00921 0.01575 0.00289 30 4YZ 0.01630 -0.01942 -0.01261 0.02446 -0.02422 31 3 C 1S 0.05442 -0.00700 -0.00967 0.00228 0.00291 32 2S 0.01871 -0.05971 0.00079 -0.03150 -0.02508 33 2PX 0.11215 0.10821 0.11346 0.08601 -0.10900 34 2PY -0.02948 0.15390 -0.20250 -0.17919 0.16027 35 2PZ -0.02425 0.07737 -0.08316 -0.09616 -0.07310 36 3S -1.74823 0.32835 0.09546 0.01197 0.03103 37 3PX 1.16644 -0.25442 0.32458 -0.11636 0.16427 38 3PY 0.30240 -0.15465 -1.16778 0.14487 -0.13040 39 3PZ -1.28699 0.02957 0.01093 0.14514 -0.01438 40 4XX 0.01530 0.02734 0.02092 -0.00475 -0.00455 41 4YY -0.00266 -0.02758 -0.01013 0.02714 -0.04167 42 4ZZ -0.00716 -0.01057 -0.01108 -0.02169 0.04342 43 4XY 0.00822 0.01341 -0.00834 0.00391 -0.02224 44 4XZ -0.02732 0.00200 0.00579 0.01436 -0.02167 45 4YZ 0.00747 0.01497 -0.00006 -0.00426 -0.00366 46 4 H 1S -0.11866 -0.06400 -0.03504 -0.02056 0.11108 47 2S -0.14902 -0.01765 0.18657 0.02515 -0.04249 48 5 H 1S 0.00253 0.11280 0.06884 0.00423 -0.10849 49 2S -0.37385 -0.05275 -0.02482 0.00586 -0.00114 50 6 C 1S -0.05449 0.00484 0.01216 0.00276 -0.00278 51 2S -0.02284 -0.06128 -0.00464 -0.02943 -0.02253 52 2PX -0.07685 0.14684 -0.10989 0.09955 -0.11004 53 2PY -0.03821 -0.12545 -0.20637 0.18642 -0.20930 54 2PZ 0.06186 0.06972 0.04317 -0.06161 -0.07077 55 3S 1.74278 -0.07457 -0.09799 -0.02692 0.33040 56 3PX -1.19454 0.01323 -0.32777 -0.08561 -0.02828 57 3PY 0.28388 0.09427 -1.14754 -0.17970 0.27216 58 3PZ 1.25981 -0.27918 0.00478 0.11603 0.20742 59 4XX -0.00869 0.02803 -0.01954 -0.00478 -0.00714 60 4YY 0.00170 -0.03076 0.00673 0.02602 -0.03399 61 4ZZ 0.00113 -0.00971 0.01378 -0.02130 0.04474 62 4XY -0.00414 -0.01383 -0.00884 -0.00468 0.02457 63 4XZ 0.02926 0.00175 -0.00883 0.01468 -0.02710 64 4YZ -0.00519 -0.01526 0.00240 0.00525 0.00132 65 7 H 1S 0.01683 -0.06915 0.08305 -0.03148 0.13773 66 2S 0.34548 -0.07530 -0.22771 0.08552 -0.03550 67 8 H 1S 0.09281 0.10067 -0.05641 0.00983 -0.10989 68 2S 0.18605 -0.11169 0.03534 -0.06560 0.07677 69 9 H 1S 0.08849 0.04335 0.04454 -0.01416 -0.04269 70 2S -0.72419 0.07393 0.26323 -0.03525 -0.10160 71 10 H 1S -0.08540 0.06016 -0.03343 -0.01763 -0.04983 72 2S 0.72809 -0.07049 -0.28050 -0.04934 -0.00149 73 11 C 1S -0.01697 -0.00703 0.01319 0.00988 0.01935 74 2S 0.02900 -0.19721 -0.08592 0.04866 -0.10267 75 2PX -0.07710 -0.08414 0.13686 -0.15290 0.05555 76 2PY -0.04584 -0.31323 0.03538 0.02786 0.17162 77 2PZ 0.02502 0.19374 -0.03276 -0.18247 -0.25783 78 3S 0.25081 0.02236 0.02858 -0.01967 0.07589 79 3PX 0.08776 0.08850 -0.13634 0.27278 -0.01716 80 3PY 0.02696 0.39346 0.15260 -0.12523 -0.15152 81 3PZ -0.02550 -0.27419 0.05216 0.12690 0.28156 82 4XX 0.00210 0.01253 -0.01035 0.01250 -0.01008 83 4YY -0.00308 -0.06761 -0.00229 0.00024 -0.00373 84 4ZZ -0.00109 0.01003 0.00962 0.00734 0.02034 85 4XY -0.00334 0.00125 0.00419 -0.00689 0.01608 86 4XZ 0.00669 0.03408 -0.00274 -0.01390 -0.01468 87 4YZ 0.00120 0.00165 -0.00320 0.01011 -0.00158 88 12 H 1S -0.03502 -0.12502 0.04617 0.07911 0.12143 89 2S -0.16704 0.01664 0.22565 -0.15727 0.07845 90 13 C 1S 0.01124 -0.00829 -0.01209 0.01021 0.01761 91 2S -0.03509 -0.19403 0.07745 0.03852 -0.09514 92 2PX 0.03340 -0.08184 -0.13556 -0.14852 0.02553 93 2PY 0.01472 0.30518 0.02986 -0.03309 -0.14711 94 2PZ 0.00662 0.20191 0.02837 -0.18206 -0.25143 95 3S -0.20544 0.05581 -0.02473 0.01354 0.07846 96 3PX -0.04708 0.09892 0.12885 0.26108 0.01783 97 3PY -0.00962 -0.40800 0.15353 0.10100 0.14209 98 3PZ -0.02402 -0.29224 -0.03747 0.15067 0.28733 99 4XX 0.00053 0.01301 0.01033 0.01260 -0.01342 100 4YY -0.00407 -0.06810 0.00167 -0.00068 -0.00075 101 4ZZ -0.00074 0.01094 -0.00905 0.00715 0.01771 102 4XY 0.00102 -0.00077 0.00343 0.00736 -0.01783 103 4XZ -0.00085 0.03355 0.00232 -0.01462 -0.01172 104 4YZ 0.00020 -0.00345 -0.00360 -0.01048 0.00150 105 14 H 1S 0.00714 -0.12319 -0.03834 0.08370 0.11330 106 2S 0.11101 -0.00030 -0.22023 -0.13491 0.09356 107 15 O 1S 0.00648 0.01202 -0.00563 -0.00031 -0.00894 108 2S -0.03951 0.00236 0.01412 0.08457 0.06013 109 2PX -0.07452 -0.09739 0.05585 -0.06174 -0.02912 110 2PY 0.00801 0.06383 -0.01661 0.04784 0.11777 111 2PZ 0.01574 0.03007 -0.03978 -0.07896 -0.15003 112 3S -0.01053 -0.31948 0.07566 -0.40607 -0.21568 113 3PX -0.04151 0.06949 0.01247 -0.03208 -0.01360 114 3PY -0.01611 -0.27851 0.00137 -0.14227 -0.05272 115 3PZ 0.02835 0.02833 -0.01556 -0.09280 -0.03454 116 4XX -0.00312 0.03561 0.00562 0.01488 -0.00972 117 4YY -0.01501 -0.05931 0.00744 -0.01640 -0.00585 118 4ZZ -0.00051 0.03853 -0.01256 0.04776 0.01011 119 4XY 0.00656 0.02712 -0.02224 0.02580 0.00471 120 4XZ -0.00101 0.00402 0.00775 0.01159 0.04002 121 4YZ -0.00573 -0.01185 0.01192 -0.00657 0.00223 122 16 O 1S -0.00252 0.01219 0.00549 -0.00025 -0.00833 123 2S 0.02400 -0.00344 -0.01130 0.08737 0.05746 124 2PX 0.05242 -0.10850 -0.05328 -0.06016 -0.02645 125 2PY 0.01120 -0.07207 -0.01702 -0.05066 -0.09293 126 2PZ 0.00087 0.02249 0.03682 -0.08348 -0.13631 127 3S -0.01682 -0.31735 -0.08429 -0.42850 -0.17376 128 3PX 0.04334 0.07512 -0.01592 -0.03248 -0.03515 129 3PY 0.01605 0.28217 0.00166 0.14981 0.04182 130 3PZ -0.02134 0.03380 0.01590 -0.08951 -0.03353 131 4XX 0.00622 0.03410 -0.00558 0.01464 -0.00620 132 4YY 0.00554 -0.06282 -0.00665 -0.01617 -0.00405 133 4ZZ 0.00360 0.03726 0.01355 0.04853 0.01060 134 4XY 0.00280 -0.02874 -0.02213 -0.02694 -0.00134 135 4XZ -0.00271 0.00572 -0.00698 0.01280 0.03274 136 4YZ -0.00320 0.01104 0.01128 0.00545 -0.00427 137 17 C 1S -0.00060 0.00541 0.00014 0.00321 0.01367 138 2S -0.01620 -0.28671 -0.00034 -0.24526 -0.10909 139 2PX -0.01603 -0.37577 -0.00051 -0.46976 -0.22396 140 2PY 0.07937 -0.01527 -0.21545 -0.00658 0.03049 141 2PZ 0.00972 0.16388 -0.00340 -0.04432 -0.08323 142 3S 0.04862 0.77192 -0.00085 0.57261 0.12699 143 3PX 0.04701 0.80356 -0.00131 1.07424 0.32106 144 3PY -0.00376 0.02024 0.25548 0.01235 -0.05462 145 3PZ -0.02531 -0.35742 0.00560 0.13281 0.28322 146 4XX -0.00246 -0.02703 0.00027 0.00508 0.01946 147 4YY 0.00245 0.04087 -0.00054 0.01699 0.01000 148 4ZZ -0.00073 -0.00145 0.00024 -0.02063 -0.01402 149 4XY -0.00511 0.00099 0.01079 0.00021 -0.00283 150 4XZ 0.00080 0.00187 -0.00004 0.03192 0.00226 151 4YZ 0.00270 -0.00066 0.00304 -0.00005 0.00276 152 18 H 1S -0.00172 0.03751 0.00091 -0.06122 -0.03283 153 2S 0.00565 0.01894 -0.00195 -0.03731 -0.12376 154 19 H 1S -0.00025 -0.00398 0.00018 0.19751 0.08150 155 2S 0.00017 0.02661 -0.00005 0.20520 0.12773 156 20 C 1S -0.09109 0.00106 0.03866 -0.01017 -0.01114 157 2S 0.03510 -0.06620 -0.02398 -0.15881 -0.29461 158 2PX 0.10369 0.16346 -0.02527 0.18327 -0.00536 159 2PY 0.18256 0.03224 0.21419 -0.25659 0.11136 160 2PZ -0.06034 0.13403 0.20228 -0.06870 0.16884 161 3S 3.38724 -0.17920 -1.72488 0.37591 0.57043 162 3PX 0.57656 -0.20701 -0.48753 -0.21437 0.08888 163 3PY 2.38779 -0.37469 1.50493 0.29892 -0.10449 164 3PZ -1.25561 -0.01117 2.37649 0.06521 -0.35950 165 4XX 0.00376 0.00004 0.00015 0.00895 0.00868 166 4YY -0.00839 0.00442 -0.02269 -0.05232 -0.02552 167 4ZZ 0.00654 -0.02128 0.01134 0.00057 -0.04854 168 4XY -0.00206 0.00817 0.00235 -0.00481 0.00517 169 4XZ -0.00354 0.00331 0.00679 0.00911 0.02662 170 4YZ 0.00899 -0.01777 -0.00806 0.02046 -0.00540 171 21 H 1S -0.03995 0.00898 0.03979 -0.10684 -0.11592 172 2S 0.98283 -0.17934 -0.48728 -0.03876 0.03365 173 22 C 1S 0.08905 -0.01746 -0.03867 -0.01278 0.00469 174 2S -0.01775 -0.05879 0.00537 -0.16144 -0.29978 175 2PX -0.06757 0.18832 0.01151 0.17921 -0.03216 176 2PY 0.17430 -0.06358 0.21866 0.25234 -0.10526 177 2PZ 0.06598 0.12084 -0.18628 -0.06843 0.17853 178 3S -3.37892 0.48062 1.77308 0.46286 0.06175 179 3PX -0.61396 -0.07851 0.49364 -0.19151 -0.02334 180 3PY 2.39082 -0.04104 1.56432 -0.29628 0.24201 181 3PZ 1.27972 -0.29878 -2.37345 -0.00264 -0.00719 182 4XX -0.00307 0.00219 0.00067 0.00965 0.00558 183 4YY 0.01215 0.00184 0.02020 -0.05338 -0.02363 184 4ZZ -0.00791 -0.02147 -0.01209 -0.00047 -0.04478 185 4XY -0.00342 -0.00769 0.00228 0.00473 -0.00596 186 4XZ 0.00433 0.00263 -0.00854 0.00989 0.02646 187 4YZ 0.01224 0.01655 -0.00429 -0.02164 0.00627 188 23 H 1S 0.04073 -0.00799 -0.02915 -0.11186 -0.09247 189 2S -0.98509 0.01599 0.47377 -0.02008 -0.11333 71 72 73 74 75 V V V V V Eigenvalues -- 0.53100 0.53447 0.54712 0.57034 0.57337 1 1 C 1S 0.00383 0.01416 -0.01553 -0.03075 0.00528 2 2S 0.08096 0.08380 -0.00412 -0.02479 -0.08916 3 2PX 0.16854 0.00209 0.06038 -0.04671 -0.05877 4 2PY 0.00551 -0.03850 -0.00568 -0.17433 -0.06563 5 2PZ 0.08886 -0.06116 0.01062 -0.15025 -0.29444 6 3S 0.10470 -0.34083 0.44044 -0.42236 -0.89920 7 3PX -0.23226 0.07859 -0.15809 0.10294 0.15252 8 3PY -0.18810 0.15626 -0.20940 0.41180 0.72429 9 3PZ -0.15686 0.18482 0.24833 0.30953 0.18613 10 4XX 0.01314 0.00563 0.00765 0.03413 0.03008 11 4YY -0.03856 -0.00346 -0.00570 -0.06255 -0.02733 12 4ZZ 0.04302 0.02747 -0.00743 -0.02075 -0.03113 13 4XY -0.02953 -0.01137 -0.01430 0.04348 0.03169 14 4XZ -0.03753 -0.01699 0.00452 0.05138 0.03104 15 4YZ -0.00113 0.02136 0.00166 0.01155 -0.00875 16 2 C 1S -0.00243 -0.00154 0.01146 -0.04024 0.01139 17 2S 0.07290 0.08694 -0.02968 0.03288 0.09126 18 2PX 0.13522 -0.06632 -0.06473 -0.05626 0.08269 19 2PY 0.00857 0.07588 -0.00363 0.18464 -0.09462 20 2PZ 0.09903 -0.05131 -0.03045 -0.00773 0.34211 21 3S 0.35814 0.14932 -0.43540 0.18511 0.96362 22 3PX -0.21024 0.30420 0.12477 0.10779 -0.19381 23 3PY 0.30602 0.13380 -0.25228 -0.02265 0.70246 24 3PZ -0.06050 0.19814 -0.23008 0.35882 -0.37113 25 4XX 0.00884 0.00276 -0.00356 0.02588 -0.03814 26 4YY -0.03737 -0.00143 0.00330 -0.05079 0.03948 27 4ZZ 0.04317 0.02465 -0.00481 -0.01040 0.04668 28 4XY 0.02360 0.00100 -0.01883 -0.03091 0.04967 29 4XZ -0.03515 -0.01339 0.00397 0.03885 -0.05371 30 4YZ -0.00547 -0.02524 0.00633 -0.01577 -0.00733 31 3 C 1S -0.00401 -0.00491 0.00849 0.00754 0.00026 32 2S 0.16823 0.05008 -0.03718 -0.12950 -0.16891 33 2PX -0.19450 0.00818 -0.03877 0.26362 0.15975 34 2PY -0.06353 0.13871 0.02767 -0.25664 0.13393 35 2PZ 0.34351 0.26580 -0.01209 -0.14424 -0.23933 36 3S -0.17873 0.06785 -0.05114 0.55378 0.71626 37 3PX 0.22116 -0.14482 0.12055 -0.42710 -0.44795 38 3PY 0.04831 -0.22476 0.11301 0.24987 -0.51746 39 3PZ -0.32860 -0.21350 -0.03898 0.18647 0.62267 40 4XX -0.00149 0.04429 -0.01713 -0.00282 -0.00905 41 4YY 0.04212 -0.01050 0.00197 0.02596 -0.01310 42 4ZZ -0.01281 -0.02233 0.01115 -0.01685 0.01196 43 4XY -0.00860 0.01492 -0.00335 -0.01423 -0.00945 44 4XZ -0.02269 -0.00615 -0.00842 -0.00400 0.00352 45 4YZ 0.01598 0.03227 -0.00290 0.04015 0.00404 46 4 H 1S -0.12443 -0.15771 0.03310 -0.09672 0.10611 47 2S 0.12162 0.09235 0.02010 -0.00923 0.12555 48 5 H 1S -0.03356 0.13819 -0.04558 -0.02826 -0.05944 49 2S 0.03245 -0.04068 0.01280 0.07563 0.08496 50 6 C 1S -0.00303 0.00113 -0.00754 0.01133 -0.00830 51 2S 0.15979 0.04577 0.00461 -0.06810 0.18876 52 2PX -0.27847 0.03472 0.06462 0.27410 -0.31272 53 2PY 0.08244 -0.08785 0.05016 0.25283 -0.08252 54 2PZ 0.24537 0.20552 -0.07547 -0.01793 0.24268 55 3S -0.25859 -0.24426 0.11760 0.15309 -0.89896 56 3PX 0.33873 0.02311 -0.13752 -0.27950 0.66706 57 3PY -0.14249 0.10924 0.07640 -0.44447 -0.18899 58 3PZ -0.31398 -0.42014 0.15700 -0.13769 -0.62508 59 4XX 0.00625 0.04948 0.00197 0.00255 0.01881 60 4YY 0.03795 -0.01759 -0.00273 0.02697 -0.01822 61 4ZZ -0.02141 -0.02620 0.00099 -0.01916 -0.00578 62 4XY 0.00734 -0.01649 0.00410 0.01047 -0.00375 63 4XZ -0.01806 0.00446 0.00940 0.00061 0.00701 64 4YZ -0.01465 -0.03128 0.00329 -0.03603 0.01000 65 7 H 1S -0.14071 -0.16941 0.00482 -0.11938 -0.08414 66 2S 0.03686 -0.00346 0.00361 -0.04530 -0.12640 67 8 H 1S -0.02745 0.14991 0.00373 -0.00237 0.03473 68 2S 0.06215 -0.10717 -0.01705 -0.01201 -0.05870 69 9 H 1S -0.12832 -0.04300 0.01066 -0.30567 0.22636 70 2S 0.21827 0.15895 -0.07652 0.11905 0.19068 71 10 H 1S -0.12167 -0.02863 -0.02233 -0.35513 -0.12498 72 2S 0.18570 0.04623 0.02979 -0.01815 -0.22335 73 11 C 1S 0.01494 -0.01201 -0.05235 0.00056 0.01081 74 2S 0.03591 0.24208 0.08220 -0.10528 0.25935 75 2PX 0.22708 -0.40759 -0.12081 -0.13509 0.05309 76 2PY 0.15068 0.01007 0.04693 0.03138 -0.11535 77 2PZ 0.01986 -0.05328 0.08291 0.02676 0.25911 78 3S 0.09430 -0.16760 1.19950 0.20484 -0.83794 79 3PX -0.18592 0.49383 -0.18928 0.26455 0.02671 80 3PY -0.24157 0.08717 0.88367 -0.34751 -0.01627 81 3PZ -0.11456 0.09057 0.37030 -0.14111 -0.70893 82 4XX 0.00384 -0.01775 -0.00834 0.01806 -0.01145 83 4YY 0.01686 0.04103 -0.00385 -0.00400 0.03186 84 4ZZ 0.00557 -0.01055 -0.00150 -0.03508 0.01097 85 4XY 0.01835 -0.03776 0.01964 -0.02128 -0.00691 86 4XZ -0.01228 -0.00520 0.02174 0.00492 0.00245 87 4YZ -0.01568 0.03052 -0.01876 -0.03464 0.00580 88 12 H 1S -0.02990 0.10622 -0.08323 -0.14159 0.04386 89 2S -0.10138 -0.02492 0.44619 -0.17626 -0.14619 90 13 C 1S 0.01702 -0.00058 0.05313 -0.00940 -0.00766 91 2S 0.04985 0.22242 -0.16486 -0.18395 -0.15235 92 2PX 0.24992 -0.33257 0.20477 -0.10169 -0.06321 93 2PY -0.15358 -0.02537 0.03734 -0.11983 -0.10920 94 2PZ -0.00478 -0.08647 -0.09579 -0.05608 -0.21137 95 3S -0.01511 -0.42122 -1.05478 0.67251 0.64525 96 3PX -0.22135 0.45562 0.06955 0.09884 0.04187 97 3PY 0.34510 0.11299 0.92380 0.19952 -0.04674 98 3PZ -0.13189 -0.00454 -0.31557 0.15414 0.62252 99 4XX 0.01067 -0.01142 0.01235 0.02156 0.00564 100 4YY 0.01498 0.03837 -0.00663 -0.02058 -0.01924 101 4ZZ 0.00834 -0.00695 0.00054 -0.03196 -0.00643 102 4XY -0.01630 0.04283 0.01009 0.01854 -0.00308 103 4XZ -0.01527 -0.01136 -0.01961 0.00298 -0.00839 104 4YZ 0.01571 -0.03176 -0.00714 0.03685 -0.00938 105 14 H 1S -0.03514 0.12225 0.04878 -0.15333 0.00479 106 2S -0.17367 -0.15003 -0.42564 -0.05063 0.11119 107 15 O 1S -0.00665 0.00202 0.01246 0.00342 -0.00439 108 2S 0.09066 -0.16763 -0.07175 0.01646 0.01113 109 2PX -0.01035 -0.06919 0.01589 0.00082 -0.02408 110 2PY 0.16556 -0.20642 -0.25706 0.08441 -0.05743 111 2PZ -0.03496 -0.02172 0.05124 0.06777 0.06431 112 3S -0.29457 0.64141 0.30817 -0.10990 0.26215 113 3PX 0.02620 -0.00806 -0.31738 0.00018 0.15174 114 3PY -0.08897 0.20151 0.00999 -0.02770 0.05240 115 3PZ 0.06106 -0.14411 0.13353 0.04323 -0.06855 116 4XX 0.01989 -0.03858 0.03076 0.00293 0.03248 117 4YY -0.01413 -0.00330 0.00486 -0.00182 -0.00372 118 4ZZ 0.01934 -0.05100 -0.01488 0.01423 -0.00180 119 4XY -0.00150 -0.00113 -0.06288 0.00272 0.01886 120 4XZ 0.02825 -0.05021 -0.03946 -0.00725 -0.02792 121 4YZ 0.00257 -0.00575 0.02104 -0.00852 -0.00024 122 16 O 1S -0.00695 -0.00120 -0.01221 0.00559 0.00286 123 2S 0.09368 -0.15617 0.11299 -0.00089 0.00518 124 2PX -0.01005 -0.07593 0.00777 0.01419 0.00511 125 2PY -0.18339 0.13270 -0.30590 -0.08271 -0.04060 126 2PZ -0.04476 -0.04869 -0.04965 0.02960 -0.05593 127 3S -0.32881 0.55346 -0.47582 -0.19187 -0.26397 128 3PX 0.04147 0.07646 0.29253 -0.07825 -0.11585 129 3PY 0.08808 -0.18487 0.05906 0.05534 0.06077 130 3PZ 0.06577 -0.16248 -0.08756 0.09485 0.03237 131 4XX 0.01646 -0.04895 -0.02236 -0.00873 -0.02278 132 4YY -0.01475 -0.00865 -0.00180 -0.00284 0.00187 133 4ZZ 0.02044 -0.05077 0.02824 0.00751 0.00687 134 4XY -0.00210 -0.01186 -0.06041 0.01219 0.01109 135 4XZ 0.03287 -0.03318 0.05073 0.00702 0.02067 136 4YZ -0.00202 0.01152 0.01791 0.00399 0.00275 137 17 C 1S 0.01661 -0.02246 0.00318 0.00471 0.00019 138 2S -0.13829 0.13417 -0.01453 -0.04171 -0.00921 139 2PX -0.26647 0.21383 -0.01831 0.00955 -0.03389 140 2PY -0.02718 -0.09673 -0.83603 0.05365 0.00926 141 2PZ 0.14167 -0.26043 0.02428 0.17540 0.00105 142 3S 0.21598 -0.23739 0.01807 0.05940 0.02379 143 3PX 0.43691 -0.18101 -0.00221 0.02050 0.13005 144 3PY 0.04454 0.16620 1.44672 -0.09315 -0.04986 145 3PZ -0.25354 0.54480 -0.05535 -0.49427 -0.02135 146 4XX -0.00586 0.01267 -0.00067 -0.00462 -0.00278 147 4YY 0.03380 -0.02547 0.00356 0.01568 0.00241 148 4ZZ 0.00220 -0.02528 0.00219 0.00237 0.00200 149 4XY 0.00237 0.00951 0.07729 -0.00208 0.00739 150 4XZ -0.00937 0.03243 -0.00445 -0.01430 0.00554 151 4YZ -0.00096 -0.00627 -0.03666 -0.00242 -0.01153 152 18 H 1S 0.05888 -0.16310 0.02044 0.05758 0.01215 153 2S 0.05630 -0.07597 0.01098 0.22252 0.02370 154 19 H 1S -0.00214 0.13556 -0.02055 -0.04700 0.02772 155 2S 0.05600 0.09457 -0.01709 -0.11179 0.03162 156 20 C 1S -0.00203 0.01133 -0.00261 0.02860 0.03087 157 2S 0.22588 0.13340 -0.01775 -0.06620 0.14299 158 2PX 0.21297 0.11006 -0.12110 -0.15561 0.15484 159 2PY 0.09915 0.12435 -0.02535 0.18963 -0.32290 160 2PZ -0.05471 0.01892 -0.08407 0.04849 -0.07736 161 3S -0.39626 -0.39527 0.22846 -0.23106 -0.66699 162 3PX -0.17307 -0.18442 0.25065 0.00306 -0.22488 163 3PY -0.12528 -0.30458 -0.13241 -0.20768 0.31686 164 3PZ 0.25461 0.15594 -0.27385 0.25616 0.57546 165 4XX -0.00096 -0.00876 0.00156 -0.01478 -0.02533 166 4YY 0.04094 0.03791 -0.00521 0.03076 0.06539 167 4ZZ -0.01395 0.00398 0.00414 0.00134 0.00954 168 4XY 0.00336 0.00243 0.00063 -0.02945 -0.00116 169 4XZ 0.00785 0.01281 0.00542 0.00850 -0.03091 170 4YZ 0.03596 0.01012 -0.00198 0.03096 0.00521 171 21 H 1S -0.11971 -0.04251 0.01328 -0.08415 0.16092 172 2S 0.05499 -0.05053 0.11595 -0.03345 -0.08151 173 22 C 1S -0.00873 -0.00811 0.00337 0.00311 -0.03614 174 2S 0.23260 0.14201 -0.07039 -0.09625 -0.10734 175 2PX 0.24395 0.17499 0.03747 -0.18691 -0.17848 176 2PY -0.07310 -0.13619 -0.00778 -0.30086 -0.25390 177 2PZ -0.05646 0.02576 0.08930 0.03846 0.00436 178 3S -0.18600 0.14212 -0.15252 0.30471 0.71813 179 3PX -0.13524 -0.10585 -0.17751 0.17014 0.26722 180 3PY 0.11611 0.06818 -0.17723 0.32009 0.25937 181 3PZ 0.03469 -0.18654 0.26178 -0.21217 -0.54552 182 4XX -0.00105 -0.00406 0.00072 -0.00032 0.02695 183 4YY 0.04626 0.03649 -0.01003 0.00487 -0.06963 184 4ZZ -0.01838 -0.00423 -0.00721 -0.00957 -0.00899 185 4XY -0.00343 -0.00182 0.00384 0.02814 -0.00580 186 4XZ 0.00703 0.01181 -0.00512 0.02132 0.02398 187 4YZ -0.03435 -0.00956 0.00177 -0.02792 0.00947 188 23 H 1S -0.12759 -0.07690 -0.00888 -0.16529 -0.14564 189 2S 0.13116 0.11585 -0.12616 0.11207 0.07863 76 77 78 79 80 V V V V V Eigenvalues -- 0.58246 0.58342 0.60625 0.62638 0.64592 1 1 C 1S 0.00293 0.01340 0.03184 0.02089 -0.02903 2 2S 0.11823 -0.03284 -0.18550 0.05608 0.05921 3 2PX -0.12856 0.29051 0.00045 0.34549 -0.14509 4 2PY -0.12961 0.11726 0.07207 -0.16152 -0.11164 5 2PZ 0.13140 -0.03151 -0.13086 0.12877 0.37133 6 3S 0.08219 -0.26245 0.33758 -0.50080 -0.07760 7 3PX 0.15080 -0.26029 -0.05347 -0.36113 0.11204 8 3PY 0.13358 0.07921 -0.03968 0.98734 0.15977 9 3PZ -0.08396 -0.60352 -0.07762 -0.43418 -0.17831 10 4XX -0.00573 -0.00230 0.00391 0.00836 0.01720 11 4YY 0.00862 -0.00044 -0.03004 -0.01884 -0.04287 12 4ZZ 0.01611 0.00744 0.04188 0.02781 -0.00990 13 4XY -0.01627 -0.03096 0.01958 -0.01502 0.01130 14 4XZ -0.01304 -0.01243 -0.05451 0.02293 0.04637 15 4YZ 0.00801 -0.01078 -0.01291 -0.02390 0.00922 16 2 C 1S 0.01005 -0.00196 0.02605 0.02107 0.02605 17 2S 0.05063 0.06666 -0.18111 0.01462 -0.02017 18 2PX 0.06776 -0.29999 0.02559 0.29826 0.15312 19 2PY 0.04840 0.12967 -0.04911 0.12585 -0.01916 20 2PZ 0.00088 0.07334 -0.14713 0.12638 -0.34630 21 3S -0.38576 0.16878 0.36732 -0.43698 -0.01074 22 3PX 0.00948 0.28511 -0.09181 -0.25367 -0.15848 23 3PY -0.35758 -0.09595 0.02273 -0.93817 -0.03579 24 3PZ -0.34632 0.41661 0.05425 -0.37421 0.08322 25 4XX 0.00589 -0.00125 0.00849 0.01660 -0.01342 26 4YY -0.00666 0.01646 -0.03440 -0.02293 0.02581 27 4ZZ 0.00837 -0.00565 0.03786 0.02062 0.02057 28 4XY 0.02251 -0.00959 -0.02276 0.01616 0.01087 29 4XZ -0.00626 0.00072 -0.04829 0.02443 -0.04453 30 4YZ 0.00090 -0.00649 0.01090 0.02037 0.00688 31 3 C 1S -0.00558 0.00140 -0.01304 0.00237 -0.01780 32 2S 0.04162 -0.02748 0.08772 -0.08862 0.03536 33 2PX -0.01256 -0.11848 -0.15822 0.08268 0.18125 34 2PY 0.23815 0.13773 0.08200 0.33043 -0.22674 35 2PZ -0.04058 0.03246 0.16001 -0.20595 -0.17406 36 3S -0.36948 -0.03397 -0.09325 -0.00480 -0.28824 37 3PX 0.02265 0.33291 0.31057 -0.24665 -0.49638 38 3PY -0.29246 -0.49875 -0.05636 -0.76992 0.42384 39 3PZ 0.08325 -0.06383 -0.26671 0.60788 0.47990 40 4XX 0.02761 -0.01158 0.00632 0.02751 -0.00661 41 4YY -0.04976 -0.01502 0.01278 -0.05926 -0.02668 42 4ZZ 0.01128 0.01251 -0.01321 0.01058 0.01143 43 4XY -0.00598 -0.01169 -0.01553 -0.03503 -0.00193 44 4XZ 0.02421 -0.01024 -0.00379 0.02714 0.03421 45 4YZ -0.00017 0.00004 0.01456 0.03260 -0.00442 46 4 H 1S 0.03794 0.02666 -0.14684 0.06664 0.04893 47 2S -0.00732 0.12488 -0.02427 0.24400 -0.04900 48 5 H 1S 0.05351 0.01254 -0.09633 0.12371 -0.05830 49 2S -0.04611 0.05398 -0.10032 0.15151 0.11307 50 6 C 1S -0.00433 -0.00537 -0.01013 -0.00761 0.01529 51 2S -0.02538 0.03192 0.05475 -0.03762 -0.02915 52 2PX 0.01582 0.08868 -0.10761 0.15589 -0.19084 53 2PY -0.24800 -0.08915 -0.11283 -0.20499 -0.24230 54 2PZ -0.01254 -0.07542 0.13312 -0.10651 0.13676 55 3S -0.07046 -0.16855 0.01292 -0.17926 0.30967 56 3PX -0.01992 -0.28090 0.21704 -0.37910 0.52205 57 3PY 0.59167 -0.10526 0.09442 0.49458 0.47418 58 3PZ 0.07966 0.18661 -0.21288 0.33785 -0.39086 59 4XX 0.01013 0.01497 0.00889 0.02190 0.01041 60 4YY -0.04522 -0.02952 0.01557 -0.07019 0.02785 61 4ZZ 0.01749 0.01409 -0.01741 0.02086 -0.01522 62 4XY 0.01420 -0.00492 0.01610 0.03433 0.02032 63 4XZ 0.01129 0.02333 -0.00462 0.03066 -0.03193 64 4YZ -0.00732 0.01127 -0.01579 -0.03281 -0.00699 65 7 H 1S 0.04158 0.04834 -0.15183 0.01651 -0.02028 66 2S 0.09090 -0.03165 -0.01384 0.20325 -0.02441 67 8 H 1S 0.03078 0.02780 -0.09412 0.08142 -0.03506 68 2S 0.04592 -0.10420 -0.06795 0.13094 -0.01313 69 9 H 1S 0.01200 0.02885 -0.07518 -0.05785 0.11709 70 2S -0.12378 -0.02019 0.07995 -0.41884 -0.06692 71 10 H 1S 0.04623 0.07100 -0.05015 -0.02567 -0.17710 72 2S -0.02061 -0.09044 0.08151 -0.41332 0.04344 73 11 C 1S 0.00793 0.02416 -0.01742 -0.00754 0.01978 74 2S 0.22591 0.14128 -0.04904 -0.12919 0.02448 75 2PX -0.02589 -0.40269 -0.02608 -0.04605 -0.10168 76 2PY 0.28129 -0.23515 -0.17569 0.13283 -0.36001 77 2PZ 0.05559 0.14237 0.01444 -0.09494 0.17292 78 3S 0.06488 -0.35988 -0.12167 0.39412 0.11549 79 3PX 0.07706 1.07445 0.01534 -0.04384 0.29718 80 3PY -0.47599 -0.09440 0.36527 -0.34869 0.82805 81 3PZ -0.11321 -0.12936 0.05974 0.02416 -0.16562 82 4XX 0.02982 -0.02189 -0.00891 0.01339 -0.04758 83 4YY 0.02339 0.06517 -0.02842 0.00826 0.06306 84 4ZZ -0.01258 -0.03224 -0.00213 -0.04095 -0.00360 85 4XY -0.03281 -0.00539 -0.00222 0.00537 -0.00356 86 4XZ -0.02873 -0.00667 0.00301 0.00939 -0.00215 87 4YZ 0.01780 0.02122 -0.01014 -0.05855 0.00836 88 12 H 1S 0.02620 0.14102 -0.05700 -0.30878 0.17270 89 2S -0.28871 -0.17825 0.18465 -0.03706 0.15862 90 13 C 1S 0.02340 -0.01081 -0.01695 -0.00567 -0.02380 91 2S 0.31546 0.04021 -0.02845 -0.10201 0.00735 92 2PX -0.28806 0.36848 -0.01553 -0.06790 0.03796 93 2PY -0.03986 -0.36087 0.19649 -0.11271 -0.30385 94 2PZ 0.21612 -0.08986 0.05221 -0.04110 -0.09636 95 3S -0.35650 0.28361 -0.13152 0.32930 -0.24378 96 3PX 0.79323 -0.88756 -0.00580 0.03839 -0.16616 97 3PY 0.41071 0.23162 -0.42344 0.27599 0.71358 98 3PZ -0.37360 0.02595 0.01906 -0.11781 0.02765 99 4XX 0.00454 0.03344 -0.01095 0.00704 0.04323 100 4YY 0.06716 -0.03306 -0.02370 0.01134 -0.06588 101 4ZZ -0.03101 0.02276 -0.00063 -0.03820 0.00421 102 4XY 0.03401 0.00749 0.00242 -0.00452 0.00680 103 4XZ -0.02315 -0.01429 0.00187 0.01135 0.00718 104 4YZ -0.02459 0.00308 0.00945 0.05937 0.01150 105 14 H 1S 0.11360 -0.06895 -0.04299 -0.28677 -0.21834 106 2S -0.36835 -0.03704 0.19974 -0.05971 -0.14648 107 15 O 1S 0.00041 -0.00110 0.00393 0.00327 -0.00550 108 2S 0.10483 0.13095 -0.03027 -0.12692 -0.00536 109 2PX -0.00572 -0.06431 -0.01934 -0.01821 -0.10171 110 2PY 0.06735 -0.00634 -0.03282 0.13191 -0.07101 111 2PZ 0.07751 0.11300 -0.00165 -0.04022 -0.06703 112 3S -0.45899 -0.08031 0.06275 0.18533 0.30173 113 3PX -0.01421 0.05545 0.02927 -0.00931 0.15842 114 3PY -0.10945 0.00690 -0.06863 0.03693 0.01712 115 3PZ 0.01990 -0.16174 -0.01148 0.04942 -0.03783 116 4XX 0.02250 0.05420 0.00288 -0.04390 0.03487 117 4YY 0.00529 0.01919 -0.01055 -0.03520 -0.02407 118 4ZZ 0.03956 0.06000 -0.00591 -0.04065 -0.00730 119 4XY 0.00801 0.04008 -0.00008 -0.02476 0.00519 120 4XZ 0.00123 -0.05673 -0.00985 0.00485 -0.03080 121 4YZ -0.00948 -0.02450 -0.00467 0.00834 -0.00438 122 16 O 1S -0.00137 0.00009 0.00402 0.00219 0.00528 123 2S 0.15810 -0.00846 -0.02126 -0.12967 -0.03487 124 2PX -0.05348 0.06046 -0.01682 -0.02916 0.06475 125 2PY -0.03110 -0.05745 0.04498 -0.11456 -0.04073 126 2PZ 0.15004 -0.03882 0.00512 -0.03779 0.04944 127 3S -0.30033 -0.29231 0.06223 0.27653 -0.11702 128 3PX 0.07171 -0.05988 0.03012 0.02801 -0.09401 129 3PY 0.06370 0.08152 0.06589 -0.04747 -0.00834 130 3PZ -0.10846 0.14533 -0.01191 0.03090 0.01409 131 4XX 0.05938 -0.02157 0.00962 -0.03697 -0.03491 132 4YY 0.01316 -0.00543 -0.00803 -0.03696 0.01130 133 4ZZ 0.06644 -0.01638 -0.00372 -0.04304 -0.00399 134 4XY -0.03620 0.02533 -0.00104 0.02136 0.00137 135 4XZ -0.04600 0.05151 -0.01333 -0.00164 0.01594 136 4YZ 0.02280 -0.01601 0.00347 -0.00589 -0.00036 137 17 C 1S 0.01203 0.00614 -0.00408 -0.00909 -0.00278 138 2S -0.12465 -0.04833 0.01511 0.00614 0.00923 139 2PX -0.29471 -0.11895 0.04859 0.11422 0.01257 140 2PY -0.09797 0.25737 0.00327 0.00377 0.00550 141 2PZ 0.26466 0.09563 -0.03526 -0.08463 -0.01795 142 3S 0.19299 0.06295 0.07421 0.04371 0.01032 143 3PX 1.15204 0.40853 -0.09055 -0.44080 0.00916 144 3PY 0.17420 -0.41927 -0.00380 -0.00041 -0.04137 145 3PZ -0.90395 -0.31248 0.10049 0.31158 0.04366 146 4XX -0.02584 -0.00814 -0.00275 0.01225 -0.00112 147 4YY 0.02919 0.01019 0.00317 0.02409 0.00221 148 4ZZ 0.03109 0.01208 -0.00091 -0.05045 -0.00374 149 4XY -0.00110 -0.00139 -0.00129 -0.00145 0.00868 150 4XZ 0.02994 0.00888 -0.00669 -0.01375 0.00506 151 4YZ 0.00841 -0.01858 0.00106 0.00180 0.00064 152 18 H 1S 0.22114 0.08645 -0.02405 -0.21896 -0.02632 153 2S 0.53718 0.17560 -0.08172 -0.10715 -0.00290 154 19 H 1S 0.19181 0.06236 -0.03815 -0.10305 0.01567 155 2S 0.09929 0.03914 0.00782 -0.05198 0.00980 156 20 C 1S -0.01132 0.02984 -0.03167 -0.01545 -0.05753 157 2S 0.12598 -0.01691 -0.26259 -0.06508 0.19993 158 2PX -0.20084 -0.32395 -0.28589 0.07030 0.05381 159 2PY 0.10346 0.00129 -0.14224 -0.13521 0.22837 160 2PZ -0.08154 -0.07069 -0.36483 -0.05161 -0.10674 161 3S 0.34305 -0.32248 0.34659 0.56953 -0.20425 162 3PX 0.25296 0.14244 0.25386 0.02741 0.06686 163 3PY -0.17868 0.23436 0.10371 0.26637 -0.45323 164 3PZ -0.34333 0.60103 0.47030 -0.26166 -0.22424 165 4XX 0.00258 -0.01779 0.01070 0.02714 0.03638 166 4YY 0.01082 0.00333 -0.05315 -0.03227 -0.04640 167 4ZZ 0.00638 0.03274 -0.06174 -0.00731 -0.02562 168 4XY -0.00995 0.00444 -0.03313 -0.00783 0.00315 169 4XZ -0.02019 -0.00591 0.07215 -0.02468 0.02790 170 4YZ 0.00103 -0.00418 -0.00699 0.02273 -0.00721 171 21 H 1S -0.00597 0.09896 -0.32391 -0.10372 -0.20610 172 2S 0.12023 -0.18990 -0.02341 0.14569 0.15307 173 22 C 1S 0.02397 -0.02907 -0.03193 -0.00880 0.05775 174 2S 0.13405 0.05175 -0.24388 -0.04782 -0.15364 175 2PX -0.31238 0.10331 -0.27217 0.08818 -0.00573 176 2PY -0.02502 0.02825 0.19796 0.16795 0.19729 177 2PZ -0.11872 -0.01033 -0.38563 -0.06108 0.12530 178 3S -0.20754 0.43011 0.39621 0.49298 0.26549 179 3PX 0.19439 0.06620 0.27595 0.00294 -0.10087 180 3PY -0.00370 0.21996 -0.11103 -0.18663 -0.42377 181 3PZ 0.32224 -0.62105 0.39412 -0.21972 0.15605 182 4XX -0.01798 0.01675 0.00744 0.02634 -0.03896 183 4YY 0.03326 -0.00471 -0.04371 -0.02704 0.05632 184 4ZZ 0.03066 -0.02212 -0.06216 -0.00401 0.02704 185 4XY 0.00739 0.00642 0.03130 0.00846 0.00565 186 4XZ -0.02701 -0.01278 0.07273 -0.03297 -0.03295 187 4YZ -0.00404 0.00746 0.00668 -0.02055 -0.02682 188 23 H 1S 0.09561 -0.03295 -0.31192 -0.07387 0.16222 189 2S -0.08361 0.18596 0.02035 0.08321 -0.10341 81 82 83 84 85 V V V V V Eigenvalues -- 0.65128 0.67931 0.69320 0.72473 0.73613 1 1 C 1S -0.01583 -0.00372 0.01685 0.00477 -0.00163 2 2S 0.21974 -0.01531 -0.18682 -0.20330 0.04640 3 2PX 0.28656 -0.03484 0.02010 -0.62234 0.18276 4 2PY -0.16468 0.04425 0.28472 -0.03422 0.08131 5 2PZ 0.01681 -0.01312 0.12987 0.02676 0.05255 6 3S -0.71327 -0.22148 0.28062 0.48416 0.51301 7 3PX -0.43388 0.21022 0.23197 1.32939 -0.40965 8 3PY 0.49535 0.00497 -0.51133 0.17480 -0.39139 9 3PZ 0.31610 0.40227 0.08877 -0.58159 0.29556 10 4XX -0.00131 0.01001 -0.00641 0.00998 0.00622 11 4YY -0.01035 -0.00373 0.02696 -0.03772 -0.00836 12 4ZZ 0.01283 -0.00524 -0.01736 0.00334 0.02394 13 4XY -0.00149 -0.01900 0.01844 0.00414 -0.02260 14 4XZ 0.03441 0.02419 0.00584 -0.00347 -0.01587 15 4YZ -0.01050 0.02586 0.00500 0.00797 0.00261 16 2 C 1S 0.00894 0.01269 0.01089 0.00040 -0.00359 17 2S -0.20772 -0.06239 -0.19363 -0.21500 -0.00244 18 2PX -0.26970 0.00183 -0.00286 -0.55993 -0.40580 19 2PY -0.18793 -0.04219 -0.29264 -0.03170 0.14794 20 2PZ -0.05877 0.00978 -0.04311 0.11493 -0.32545 21 3S 0.70660 0.40161 0.53498 0.82641 -0.26573 22 3PX 0.35442 0.00226 0.49151 1.22840 0.68243 23 3PY 0.68029 0.14576 0.78920 0.12954 -0.34566 24 3PZ -0.19510 -0.38064 0.08194 -0.35871 0.12073 25 4XX -0.00254 -0.01304 -0.01481 0.01398 -0.01937 26 4YY 0.01604 0.01063 0.03821 -0.03715 0.00527 27 4ZZ -0.01802 0.00549 -0.01432 0.00450 -0.00249 28 4XY -0.00749 -0.02234 -0.01271 -0.00193 -0.01617 29 4XZ -0.03552 -0.02538 0.00020 -0.00656 0.00741 30 4YZ -0.01632 0.03036 -0.00668 -0.02316 0.02399 31 3 C 1S 0.03754 -0.01408 -0.00112 -0.01903 0.00177 32 2S -0.35892 0.13292 -0.08270 0.02286 0.06201 33 2PX 0.17062 -0.01516 0.16313 -0.02166 -0.15148 34 2PY 0.40108 -0.34596 0.07361 0.33828 -0.06000 35 2PZ -0.16491 0.03175 0.23312 0.10320 0.08249 36 3S 1.41398 -0.50999 0.02845 -0.69537 -0.08499 37 3PX -0.67250 0.03935 -0.43282 0.19745 0.42299 38 3PY -1.04633 1.09900 -0.12821 -0.89899 0.44410 39 3PZ 0.63932 -0.24285 -0.39742 -0.29883 -0.39459 40 4XX -0.00622 0.02434 0.02053 -0.03201 0.01601 41 4YY 0.04600 -0.03974 -0.01316 -0.01052 -0.00304 42 4ZZ -0.02367 0.01254 -0.03106 0.00515 -0.00555 43 4XY -0.00717 0.02228 0.07855 -0.00226 0.00198 44 4XZ -0.01440 -0.01275 0.02102 0.05095 -0.01935 45 4YZ 0.00307 0.00769 0.00996 -0.02243 0.00894 46 4 H 1S 0.10420 -0.13001 -0.10318 0.04339 -0.13224 47 2S 0.23249 -0.24855 -0.08700 -0.05005 -0.15040 48 5 H 1S 0.16197 -0.02784 0.26838 -0.17623 0.06090 49 2S 0.28472 -0.22515 0.01926 0.15577 -0.25799 50 6 C 1S -0.03211 0.01314 0.00624 -0.02284 0.00591 51 2S 0.36752 -0.12889 -0.03770 0.11923 0.03773 52 2PX -0.17928 0.07227 0.07550 -0.03582 0.16325 53 2PY 0.49965 -0.40491 0.00440 -0.21201 -0.02678 54 2PZ 0.18113 0.02878 0.19957 0.19642 -0.11764 55 3S -1.30342 0.33010 -0.39790 -1.06353 -0.13170 56 3PX 0.72910 -0.18403 0.07440 0.20596 -0.57631 57 3PY -1.23414 1.21602 -0.08329 0.31060 0.48618 58 3PZ -0.66657 0.06622 -0.68290 -0.67966 0.40475 59 4XX 0.01019 -0.01771 0.02548 -0.01040 -0.01735 60 4YY -0.02934 0.03018 -0.01842 -0.02174 0.01019 61 4ZZ 0.01613 -0.01750 -0.02636 -0.00212 0.01970 62 4XY -0.00607 -0.00998 -0.07737 -0.00241 0.00006 63 4XZ -0.00097 0.02588 0.01389 0.04185 0.01759 64 4YZ 0.01510 -0.00709 -0.01267 0.02134 -0.00082 65 7 H 1S -0.06631 0.06345 -0.10453 -0.07383 0.17812 66 2S -0.32317 0.27184 -0.17391 -0.21304 0.24847 67 8 H 1S -0.17785 0.15528 0.23845 -0.12294 0.05539 68 2S -0.29745 0.21427 -0.13542 0.01091 0.24865 69 9 H 1S -0.00703 0.14435 0.10404 -0.12123 0.11911 70 2S 0.12599 -0.00381 0.22938 0.08212 -0.11386 71 10 H 1S -0.00028 -0.10609 0.07124 -0.04561 -0.09222 72 2S -0.03813 0.01805 0.12808 -0.01155 0.13375 73 11 C 1S -0.00374 -0.00982 0.01797 -0.01605 -0.01098 74 2S -0.12907 -0.04909 -0.27780 -0.16824 -0.21630 75 2PX 0.24655 0.26929 0.01049 0.04117 0.38111 76 2PY -0.09059 0.05942 0.09967 0.09060 -0.30846 77 2PZ -0.01665 -0.00377 -0.25606 0.05061 0.22274 78 3S 0.73854 0.36710 0.76312 0.55025 1.73833 79 3PX -0.68337 -0.74825 -0.22090 -0.00760 -0.94503 80 3PY 0.47100 -0.16644 -0.15325 -0.44303 0.83915 81 3PZ 0.48594 0.14204 0.49551 0.04604 0.20334 82 4XX -0.01421 0.02279 0.01325 0.01132 -0.03355 83 4YY 0.01254 0.00051 0.01192 -0.02002 0.06063 84 4ZZ 0.00331 -0.01574 -0.02901 -0.02353 -0.01493 85 4XY 0.00294 0.00611 0.01262 0.03620 0.04266 86 4XZ -0.01711 -0.01381 -0.00904 -0.00378 -0.00434 87 4YZ 0.00667 -0.00795 0.01548 -0.01611 -0.01374 88 12 H 1S 0.05718 -0.13043 0.14866 -0.14390 -0.08019 89 2S 0.31223 0.04132 -0.00703 -0.12095 0.26386 90 13 C 1S 0.00509 0.01219 0.00638 -0.01590 -0.00567 91 2S 0.15719 -0.04820 -0.18992 -0.21551 0.34541 92 2PX -0.25211 -0.24624 -0.02486 0.12273 -0.22565 93 2PY -0.04673 -0.03285 -0.26842 -0.02246 -0.33218 94 2PZ 0.01058 -0.07901 -0.32901 0.11763 0.01688 95 3S -0.87618 -0.06240 0.33951 0.89885 -1.53507 96 3PX 0.69508 0.65110 -0.14672 -0.20277 0.80500 97 3PY 0.35515 0.06421 0.64224 0.20294 1.07468 98 3PZ -0.45753 0.02067 0.51181 0.02559 -0.44733 99 4XX 0.01176 -0.01286 0.04245 0.00255 0.01862 100 4YY -0.01665 0.00111 -0.01853 -0.00863 -0.03985 101 4ZZ 0.00633 -0.00051 -0.03226 -0.02218 0.01132 102 4XY 0.00767 -0.00496 -0.00860 -0.03812 -0.01545 103 4XZ 0.01629 0.00905 -0.01001 -0.00542 0.00061 104 4YZ -0.00407 -0.00646 -0.00940 0.01617 0.01198 105 14 H 1S 0.00422 0.12742 0.02743 -0.11890 -0.10785 106 2S -0.27832 -0.07980 -0.09909 -0.08907 -0.28263 107 15 O 1S 0.00284 0.00621 0.00115 0.00913 0.01037 108 2S 0.09664 0.09305 0.02410 -0.04735 0.04641 109 2PX 0.07744 0.14632 0.10998 0.12559 0.07409 110 2PY 0.01691 0.08158 0.07944 0.07340 0.06224 111 2PZ 0.01543 0.14827 0.05846 0.01763 -0.01889 112 3S -0.52217 -0.55051 -0.33581 -0.16576 -0.53216 113 3PX -0.13294 -0.17077 -0.18480 -0.20316 -0.22538 114 3PY -0.08644 -0.07486 -0.05833 -0.04669 -0.14076 115 3PZ 0.05695 0.01640 0.06901 0.04537 0.12827 116 4XX 0.01759 0.00524 -0.02674 -0.02672 0.02407 117 4YY 0.02804 0.04077 0.01513 -0.01137 -0.01265 118 4ZZ 0.02159 0.02457 0.00750 0.00008 0.02837 119 4XY -0.00727 -0.00502 -0.01194 -0.00130 -0.02411 120 4XZ 0.01920 0.01330 0.04083 0.00155 0.01016 121 4YZ 0.01987 0.02088 0.00587 0.01764 0.05115 122 16 O 1S -0.00382 -0.00404 0.00367 0.01006 -0.00034 123 2S -0.07788 -0.08472 0.03154 -0.02623 -0.05055 124 2PX -0.08508 -0.08929 0.14932 0.14283 -0.04571 125 2PY 0.04841 0.02825 -0.10879 -0.06391 -0.03646 126 2PZ -0.01498 -0.11369 0.12872 0.02143 -0.03350 127 3S 0.51356 0.38569 -0.39921 -0.25444 0.38554 128 3PX 0.14913 0.07464 -0.22883 -0.23046 0.12858 129 3PY -0.07564 -0.05202 0.05137 0.05771 -0.05076 130 3PZ -0.07209 0.01332 0.02333 0.06850 -0.11280 131 4XX -0.01005 -0.01804 -0.03828 -0.01523 -0.01025 132 4YY -0.02368 -0.03388 0.03230 -0.00721 -0.01070 133 4ZZ -0.01524 -0.02053 0.01189 0.00512 -0.01341 134 4XY -0.01131 0.00127 0.00649 0.00283 -0.01522 135 4XZ -0.02021 0.00091 0.03772 0.00442 -0.03497 136 4YZ 0.02356 0.01546 0.00056 -0.02579 0.02067 137 17 C 1S 0.00121 0.00036 0.00566 -0.01957 -0.00507 138 2S -0.00100 -0.01241 -0.08927 -0.01895 0.04741 139 2PX -0.00660 0.00263 0.02137 -0.02968 -0.05012 140 2PY 0.01358 0.05671 -0.01965 0.00595 -0.03758 141 2PZ 0.00465 0.02339 0.14956 -0.02857 -0.09190 142 3S -0.00290 0.00791 0.06446 0.10955 -0.03998 143 3PX 0.03507 -0.06039 -0.29804 -0.07562 0.20229 144 3PY -0.00852 -0.09081 0.03568 -0.01674 0.16124 145 3PZ -0.02239 -0.05321 -0.40026 0.18616 0.29793 146 4XX -0.00143 0.00187 0.00357 0.00973 0.00927 147 4YY -0.00277 -0.00125 -0.01943 0.00327 0.02122 148 4ZZ 0.00573 -0.00166 0.01054 -0.04106 -0.02524 149 4XY -0.00676 -0.01319 0.00314 -0.00112 -0.00437 150 4XZ 0.00047 -0.00828 -0.05022 0.00354 0.03216 151 4YZ 0.00603 -0.00290 0.00183 0.00057 0.00588 152 18 H 1S 0.02541 0.00448 0.12854 -0.23849 -0.16333 153 2S 0.00194 0.00791 0.03770 -0.00614 0.00888 154 19 H 1S 0.01139 -0.03948 -0.19431 -0.13769 0.06316 155 2S 0.00647 -0.02801 -0.16827 0.01972 0.12382 156 20 C 1S -0.02251 0.00800 -0.00171 0.00044 0.00622 157 2S -0.00772 0.08256 -0.08903 0.04992 0.07019 158 2PX -0.23988 -0.40251 0.09994 0.06311 0.25995 159 2PY 0.12174 -0.04144 -0.03470 0.09665 -0.22531 160 2PZ -0.16426 -0.35723 -0.05504 0.04276 0.00036 161 3S -0.24399 -0.42471 -0.20510 0.09932 0.06042 162 3PX 0.36432 0.61635 -0.29006 -0.27526 -0.54130 163 3PY -0.37620 -0.41933 -0.21555 -0.12721 0.06382 164 3PZ 0.27953 0.70065 0.18155 0.01729 -0.46479 165 4XX 0.00069 -0.00197 0.00974 -0.00117 -0.00578 166 4YY -0.02039 -0.00483 -0.01241 0.00389 0.03119 167 4ZZ -0.01707 0.01065 -0.00974 0.00620 -0.00088 168 4XY 0.00086 0.00645 -0.00945 -0.00025 0.01258 169 4XZ 0.05089 0.00624 0.02882 0.00207 -0.00997 170 4YZ 0.00823 -0.01532 -0.05691 0.02605 -0.02415 171 21 H 1S -0.12287 0.05426 0.05842 -0.02223 0.10246 172 2S 0.05821 -0.24055 -0.23502 -0.01488 -0.00969 173 22 C 1S 0.02370 -0.00988 0.00706 0.00679 -0.01602 174 2S -0.04337 -0.08595 -0.12537 0.05083 0.08520 175 2PX 0.17491 0.41208 -0.17620 0.14852 -0.27404 176 2PY 0.07903 -0.00125 0.02592 0.04895 -0.17504 177 2PZ 0.16343 0.29856 -0.14611 0.03578 -0.10090 178 3S 0.23162 0.38497 0.09289 0.37198 -0.44784 179 3PX -0.30357 -0.66665 0.20510 -0.33870 0.41385 180 3PY -0.29424 -0.44591 -0.08189 0.12866 -0.07804 181 3PZ -0.20630 -0.61543 0.42434 -0.34222 0.63512 182 4XX -0.00562 0.00760 0.00028 -0.00671 0.01181 183 4YY 0.01964 0.00007 -0.00985 0.02392 -0.02186 184 4ZZ 0.01127 -0.01132 0.00386 0.00663 -0.01197 185 4XY 0.00780 0.00631 0.00881 -0.00459 0.00014 186 4XZ -0.04015 -0.00002 0.02315 -0.00711 -0.00003 187 4YZ 0.01149 0.00484 0.04814 -0.01622 -0.00653 188 23 H 1S 0.10018 -0.02680 0.08042 0.04609 -0.10750 189 2S -0.09289 0.17631 -0.21044 0.03562 -0.04761 86 87 88 89 90 V V V V V Eigenvalues -- 0.74683 0.76615 0.80465 0.81345 0.82451 1 1 C 1S -0.01305 0.00239 0.01516 -0.00800 -0.00204 2 2S -0.04692 0.11440 -0.19700 0.23763 -0.12059 3 2PX -0.02177 -0.10338 -0.32884 -0.03868 -0.06773 4 2PY 0.27557 -0.13024 0.06255 -0.11301 0.01187 5 2PZ 0.05976 -0.55797 -0.25594 0.14207 -0.06619 6 3S 0.19676 -0.08832 0.65816 -0.62772 0.38488 7 3PX 0.05071 -0.05456 1.07393 0.18408 0.04639 8 3PY -0.94993 0.14727 0.10442 0.15520 0.00751 9 3PZ 0.12516 1.24864 0.30939 -0.73464 0.14606 10 4XX -0.01049 -0.03793 0.02127 -0.00539 0.00589 11 4YY 0.03051 0.03286 -0.02979 0.01369 -0.01917 12 4ZZ -0.02464 0.02448 0.01227 0.00010 0.00166 13 4XY 0.00394 0.01211 -0.01260 -0.00658 0.00124 14 4XZ 0.00756 0.00146 -0.01603 -0.00448 0.00323 15 4YZ 0.00801 -0.04396 -0.00641 0.01754 -0.00929 16 2 C 1S -0.01204 0.00417 -0.00929 -0.01232 -0.00845 17 2S -0.02960 0.12686 0.11040 0.29857 -0.11680 18 2PX 0.11189 0.05819 0.34850 0.10702 -0.08791 19 2PY -0.31554 0.01758 0.09991 0.13726 -0.06661 20 2PZ 0.11620 -0.49912 0.05688 0.19615 -0.07043 21 3S 0.31279 0.38198 -0.44736 -0.81853 0.64328 22 3PX -0.24415 -0.19846 -1.31584 -0.27696 0.22278 23 3PY 1.10172 0.29590 -0.09896 -0.13239 0.33426 24 3PZ 0.01740 1.21767 0.46043 -0.67870 0.36256 25 4XX -0.00711 -0.02395 -0.02549 -0.01374 -0.00300 26 4YY 0.02892 0.02372 0.03604 0.02592 -0.01322 27 4ZZ -0.01845 0.04076 -0.01718 -0.00469 0.00738 28 4XY 0.00560 0.01042 -0.01105 0.00273 -0.00645 29 4XZ 0.00049 -0.01829 0.01760 0.00187 0.00762 30 4YZ -0.00976 0.03860 0.01625 -0.01168 0.00772 31 3 C 1S 0.00257 0.01842 -0.00414 0.00549 -0.00248 32 2S -0.07817 0.03959 -0.04002 0.05641 0.05023 33 2PX 0.03221 0.26464 0.02514 0.00897 -0.09715 34 2PY -0.12703 -0.11909 0.21935 0.03105 0.04245 35 2PZ 0.10165 -0.07452 0.32674 -0.01257 -0.10404 36 3S 0.24911 0.29003 0.34089 -0.33270 -0.06731 37 3PX -0.04738 -0.95211 0.09856 0.06547 0.22634 38 3PY 0.37041 0.00700 -0.96297 -0.31302 -0.13794 39 3PZ -0.39587 0.41986 -1.16086 0.00379 0.23536 40 4XX -0.01092 0.02945 -0.04851 0.02015 0.00085 41 4YY 0.01626 0.00189 0.01948 -0.00673 0.00844 42 4ZZ -0.01422 0.00330 0.02062 -0.00533 -0.00185 43 4XY 0.04615 0.00280 -0.00006 -0.00460 0.01173 44 4XZ -0.01177 0.00123 0.01257 0.00688 0.00890 45 4YZ -0.02994 0.03531 0.00611 0.00596 0.01919 46 4 H 1S 0.00349 0.11303 0.11309 0.02342 -0.05668 47 2S -0.31807 0.25587 -0.44943 0.14281 0.23718 48 5 H 1S 0.04682 0.24941 -0.18570 0.09325 0.02454 49 2S -0.09107 0.32775 0.34138 0.01463 -0.13863 50 6 C 1S 0.00273 0.02222 -0.00238 0.00463 -0.00087 51 2S -0.07437 0.08602 -0.00826 0.04499 0.04629 52 2PX -0.13293 0.11868 0.00357 0.03564 0.03375 53 2PY 0.13041 0.15148 0.23777 0.03412 -0.01210 54 2PZ 0.03050 0.06568 -0.41942 -0.14058 0.03808 55 3S 0.24260 0.05618 0.14436 -0.28378 -0.24749 56 3PX 0.53297 -0.30780 -0.32597 -0.09550 -0.13673 57 3PY -0.48824 -0.32796 -1.15950 -0.01519 -0.03880 58 3PZ -0.25903 -0.23502 1.35319 0.41026 -0.28939 59 4XX -0.00489 0.02356 0.04347 0.03188 0.00802 60 4YY 0.01411 0.00041 -0.01749 -0.01206 0.00624 61 4ZZ -0.01733 0.01253 -0.02037 -0.01114 -0.01140 62 4XY -0.04626 -0.00110 -0.00386 0.00564 -0.01009 63 4XZ -0.02156 -0.01323 -0.01373 0.00430 0.01618 64 4YZ 0.02776 -0.03758 -0.02640 -0.01123 -0.01791 65 7 H 1S -0.04399 0.08299 -0.23058 -0.05208 -0.05692 66 2S -0.26153 -0.07418 0.59033 0.31672 -0.05550 67 8 H 1S 0.01593 0.19829 0.17792 0.14224 0.04649 68 2S -0.30017 0.11504 -0.37575 -0.05623 0.04435 69 9 H 1S 0.00959 0.10129 0.04680 0.05830 -0.07705 70 2S 0.45415 0.07941 -0.18760 -0.02220 0.14036 71 10 H 1S 0.03411 0.16824 0.00710 0.04697 -0.04107 72 2S 0.40326 -0.12675 -0.01353 0.00616 -0.01871 73 11 C 1S -0.00285 -0.00161 0.00716 0.00418 -0.02096 74 2S 0.17112 0.25066 -0.03852 0.03888 0.00134 75 2PX -0.08449 0.01709 0.12939 0.11281 0.03412 76 2PY 0.09116 0.24934 -0.39755 -0.18274 0.03868 77 2PZ 0.00061 0.18180 -0.13063 -0.04883 0.03439 78 3S -0.43220 -0.48605 0.98128 0.00246 -0.03781 79 3PX 0.06325 0.27922 -0.51412 -0.31055 0.00078 80 3PY -0.26513 -0.80195 1.52700 0.56651 -0.31160 81 3PZ -0.13557 -0.34095 0.26336 0.18701 -0.23618 82 4XX 0.01613 -0.01332 -0.02571 0.02176 -0.04335 83 4YY 0.01117 0.00696 0.08586 -0.00248 0.01107 84 4ZZ -0.01569 0.01277 -0.02614 0.02235 -0.01797 85 4XY 0.06307 0.03209 0.00362 0.00201 0.00373 86 4XZ 0.02863 -0.02829 0.02454 -0.05325 0.05446 87 4YZ -0.04984 0.01604 -0.01969 0.01823 -0.02795 88 12 H 1S -0.28720 0.07911 -0.16617 0.08377 -0.23202 89 2S 0.25337 -0.38223 0.67929 0.15920 -0.01786 90 13 C 1S -0.00557 -0.00770 -0.00909 0.00058 -0.02260 91 2S 0.04863 0.01218 0.08018 0.04694 0.05238 92 2PX 0.02816 0.25791 -0.15159 0.07252 0.04411 93 2PY 0.03156 0.04873 -0.47611 0.02911 0.01905 94 2PZ 0.02389 0.19126 0.18023 0.01326 -0.07767 95 3S 0.20893 0.96511 -0.93149 -0.26179 0.11869 96 3PX -0.27626 -0.44842 0.64751 -0.13488 -0.12449 97 3PY -0.02778 -0.13114 1.72785 -0.00971 -0.11612 98 3PZ 0.04206 -0.01685 -0.38011 0.08249 0.16261 99 4XX 0.01290 -0.02752 -0.00135 0.02366 -0.04629 100 4YY 0.02613 0.05327 -0.06679 -0.02841 0.02449 101 4ZZ -0.02404 -0.01038 0.02061 0.03075 -0.00965 102 4XY -0.07048 -0.04349 0.00139 -0.00016 -0.00399 103 4XZ 0.02680 -0.02423 -0.00792 -0.05984 0.05332 104 4YZ 0.05221 -0.00845 -0.01338 -0.02603 0.03132 105 14 H 1S -0.31712 -0.01212 0.12927 0.14648 -0.23223 106 2S 0.36895 -0.07100 -0.76265 -0.10985 0.31662 107 15 O 1S 0.00897 0.00383 -0.00581 0.00697 -0.00399 108 2S 0.02589 -0.03955 0.05645 -0.17565 0.16706 109 2PX -0.05498 0.05283 -0.05804 0.18423 -0.17017 110 2PY 0.15150 0.06752 0.01675 0.05018 -0.02259 111 2PZ -0.07688 -0.00360 0.01809 -0.07157 0.20994 112 3S -0.15427 0.10787 -0.09551 0.00217 -0.10070 113 3PX -0.00627 -0.04745 0.16176 -0.23529 0.12222 114 3PY -0.16731 0.01139 -0.07598 -0.24679 0.14780 115 3PZ -0.07585 -0.00968 -0.02863 -0.07810 -0.31197 116 4XX 0.00439 0.00288 0.03217 -0.04216 0.06669 117 4YY -0.01965 -0.01349 -0.02240 -0.06688 0.06020 118 4ZZ 0.04116 -0.01988 0.02080 -0.05344 0.03490 119 4XY -0.00812 0.00276 -0.03631 0.01573 -0.03133 120 4XZ -0.03436 -0.01581 -0.00481 0.03471 0.00629 121 4YZ 0.02906 -0.00140 0.01302 -0.03269 -0.02078 122 16 O 1S 0.01192 0.00734 0.00255 0.00873 -0.00324 123 2S 0.03725 -0.01513 -0.00214 -0.18530 0.19287 124 2PX -0.02603 0.10438 -0.02011 0.19407 -0.18191 125 2PY -0.16526 -0.09895 0.00536 -0.04463 0.02550 126 2PZ -0.06671 0.02991 0.02203 -0.07288 0.18207 127 3S -0.34944 -0.24640 0.14448 0.02469 -0.22508 128 3PX -0.10125 -0.18104 -0.04657 -0.28468 0.11301 129 3PY 0.20823 0.09115 -0.15673 0.20949 -0.10754 130 3PZ -0.02356 0.05465 0.02304 -0.05705 -0.31083 131 4XX 0.00448 0.00740 -0.00566 -0.04859 0.07773 132 4YY -0.01968 -0.02269 0.03470 -0.05757 0.06226 133 4ZZ 0.04897 -0.00306 -0.01113 -0.05819 0.04210 134 4XY 0.01795 0.01988 -0.02202 -0.02656 0.03740 135 4XZ -0.02476 0.00233 -0.01037 0.03485 0.00962 136 4YZ -0.04631 -0.02844 0.00534 0.03469 0.02326 137 17 C 1S 0.00998 -0.01333 0.00647 -0.03590 0.04914 138 2S 0.05128 0.09284 0.08065 -0.28145 0.16551 139 2PX -0.09736 -0.06935 0.04252 -0.33827 -0.10507 140 2PY 0.00827 0.01020 0.00309 0.00663 0.00595 141 2PZ -0.24135 -0.03825 0.06725 -0.54564 -0.67089 142 3S -0.00162 -0.14458 -0.17173 0.65359 -0.42543 143 3PX 0.62933 0.19925 -0.04684 0.62414 0.33357 144 3PY -0.04583 -0.05600 -0.07790 -0.03141 -0.00263 145 3PZ 0.74280 0.11217 -0.19887 1.31916 1.39430 146 4XX 0.05366 -0.01402 0.00097 -0.05545 -0.04098 147 4YY 0.05100 0.03158 0.01377 -0.02335 0.01182 148 4ZZ -0.05963 -0.01836 0.00328 0.01130 0.10903 149 4XY 0.00092 0.00498 -0.01093 -0.00140 -0.00020 150 4XZ 0.10970 0.00740 0.00678 -0.06883 -0.07222 151 4YZ 0.00084 -0.00271 0.01347 0.00164 -0.00370 152 18 H 1S -0.31948 -0.13721 0.02574 0.01462 0.74741 153 2S 0.03879 0.08340 0.16230 -1.05955 -1.29580 154 19 H 1S 0.41716 -0.11060 0.05997 -0.54181 -0.07678 155 2S 0.16916 0.22265 -0.08505 1.04907 1.04158 156 20 C 1S 0.01245 -0.02477 0.01541 0.01710 0.00191 157 2S -0.04178 0.22392 -0.02612 -0.07537 0.00926 158 2PX -0.26901 0.01288 -0.03637 -0.18631 0.12299 159 2PY 0.14494 -0.12371 0.10224 0.25720 0.08232 160 2PZ -0.05172 -0.21565 -0.01667 -0.06761 -0.07780 161 3S -0.23742 -1.04416 -0.93739 0.77664 -0.54791 162 3PX 0.28664 -0.12445 0.23818 0.30085 -0.33554 163 3PY -0.33426 0.43949 -0.39668 -0.72541 -0.11195 164 3PZ 0.44638 0.59714 0.68035 0.08957 0.37588 165 4XX -0.02226 0.02552 0.01286 -0.04346 0.01056 166 4YY 0.01294 -0.00508 -0.03822 0.00977 -0.01406 167 4ZZ 0.00037 -0.02898 0.02134 0.03112 -0.00561 168 4XY -0.00176 0.01814 0.01037 -0.02038 0.01059 169 4XZ -0.00158 0.00425 -0.02056 -0.01202 -0.01015 170 4YZ -0.04392 -0.05183 -0.01506 0.02299 -0.02793 171 21 H 1S 0.14457 -0.06820 0.02386 0.03626 0.09239 172 2S -0.32425 -0.09391 -0.37892 -0.29257 -0.29840 173 22 C 1S 0.01402 -0.01296 -0.02311 0.01037 0.00707 174 2S -0.03394 0.19495 0.06574 -0.06926 -0.08472 175 2PX -0.17099 0.12724 0.09703 -0.16261 0.07487 176 2PY -0.09699 0.18407 0.24826 -0.19211 0.06181 177 2PZ -0.02306 -0.17795 0.03727 -0.05273 -0.06681 178 3S -0.15877 -0.84177 0.25567 1.03709 0.10386 179 3PX 0.06261 -0.33085 -0.32138 0.20074 -0.06313 180 3PY 0.22847 -0.42284 -0.89202 0.49101 -0.26295 181 3PZ 0.26981 0.33007 -0.65255 -0.17679 0.10958 182 4XX -0.02477 0.02092 0.01430 -0.04369 0.00313 183 4YY 0.01915 -0.00082 0.01823 0.02125 0.00328 184 4ZZ 0.00570 -0.01253 -0.02914 0.02110 -0.01045 185 4XY 0.00081 -0.02119 -0.01528 0.01953 -0.01319 186 4XZ -0.00139 -0.00587 0.01043 -0.00503 -0.00931 187 4YZ 0.04834 0.06078 0.01465 -0.02452 0.02852 188 23 H 1S 0.17135 0.00692 0.00701 0.03078 0.09696 189 2S -0.29515 -0.14944 0.47865 -0.12234 -0.11861 91 92 93 94 95 V V V V V Eigenvalues -- 0.83389 0.84636 0.85414 0.85970 0.86705 1 1 C 1S 0.00957 0.00226 -0.01110 0.00847 0.02163 2 2S -0.01411 -0.07294 -0.04829 0.05415 -0.19817 3 2PX -0.11611 -0.15299 -0.26584 0.08047 0.03872 4 2PY -0.03317 0.30972 -0.03679 -0.01701 -0.12724 5 2PZ -0.00458 0.12263 0.13401 -0.10132 -0.13541 6 3S 0.18652 1.17864 0.87085 0.06814 0.80176 7 3PX 0.31914 1.08065 1.13361 -0.13225 -0.42730 8 3PY 0.30256 -1.11538 -0.39727 -0.15699 -0.05791 9 3PZ -0.65614 -0.36707 -0.74042 0.02114 0.63413 10 4XX 0.03426 0.01030 -0.02560 0.00789 -0.04925 11 4YY -0.03227 -0.01179 0.00465 0.01782 0.08064 12 4ZZ 0.00895 0.03151 0.01622 -0.00674 -0.03031 13 4XY -0.00052 0.01890 0.02674 0.00685 -0.00803 14 4XZ -0.03385 -0.00900 0.01159 -0.01284 0.00020 15 4YZ 0.00525 -0.00047 0.00290 -0.03180 -0.04354 16 2 C 1S -0.01795 0.01282 -0.00511 -0.00190 -0.02448 17 2S 0.10873 0.03298 0.08062 0.15521 0.22436 18 2PX 0.10811 0.26882 0.03942 0.08037 -0.02782 19 2PY -0.02375 0.11549 0.24948 -0.08794 -0.31172 20 2PZ -0.00970 -0.10613 -0.07212 0.08847 0.06495 21 3S -0.08355 -1.42388 -0.60639 -0.23492 -0.63248 22 3PX -0.37614 -1.32564 -0.41062 0.13995 0.19396 23 3PY 0.53469 -0.90124 -0.88654 0.25796 0.53482 24 3PZ 0.69389 0.63389 -0.18276 -0.14052 -0.10318 25 4XX -0.03693 0.00155 0.01166 0.02323 0.04937 26 4YY 0.03889 0.01503 -0.02534 -0.01182 -0.07655 27 4ZZ -0.00406 -0.03242 -0.00277 0.01321 0.04247 28 4XY -0.00785 0.03345 0.00606 -0.01330 -0.00966 29 4XZ 0.01990 0.01375 -0.00809 -0.00824 -0.01179 30 4YZ 0.00635 0.00207 -0.00623 -0.00496 -0.04636 31 3 C 1S -0.00475 -0.01024 0.00136 0.00871 -0.00437 32 2S 0.19058 0.00803 0.23498 0.10351 -0.05652 33 2PX -0.44785 -0.02831 0.01631 0.23755 -0.28864 34 2PY 0.19622 0.14546 0.15682 -0.03827 -0.15198 35 2PZ -0.33262 0.22060 -0.01829 0.15472 -0.26576 36 3S -0.18726 -0.32320 -1.34104 -0.34728 0.24759 37 3PX 1.37423 0.51822 -0.02053 -0.08463 0.53965 38 3PY -0.98529 -0.70632 -0.88492 0.04838 0.66894 39 3PZ 0.62330 -1.11847 -0.37973 0.10739 0.85318 40 4XX 0.00206 -0.00992 0.06173 -0.04484 0.01529 41 4YY 0.03002 0.01927 0.00800 0.00467 -0.00041 42 4ZZ -0.00313 -0.03076 -0.05575 0.06286 -0.02311 43 4XY 0.02121 -0.01407 0.01638 -0.07205 0.03188 44 4XZ -0.00630 0.01385 0.05736 0.01595 -0.01448 45 4YZ 0.03722 -0.03939 0.04118 -0.04678 0.01325 46 4 H 1S -0.19200 -0.02170 -0.11456 0.36992 -0.14327 47 2S 0.93035 -0.36485 0.36982 -0.25963 0.56982 48 5 H 1S 0.05009 -0.10290 0.30252 -0.26339 0.09971 49 2S -0.58902 0.07137 0.09256 0.45043 -0.71815 50 6 C 1S 0.00734 0.00604 0.01038 0.00864 -0.00332 51 2S -0.06420 -0.27890 0.21769 0.12557 0.04891 52 2PX 0.28048 0.14977 -0.02242 0.50898 0.00402 53 2PY 0.19350 0.23166 -0.02034 -0.04337 -0.12526 54 2PZ 0.13558 0.10763 -0.24477 0.49145 0.03086 55 3S -0.13500 1.25634 -0.50963 -0.43026 0.10756 56 3PX -1.10174 -0.59702 -0.08857 -1.03728 -0.01146 57 3PY -0.95284 -1.15235 0.02477 0.26698 0.35634 58 3PZ -0.40952 0.62031 0.80544 -1.00871 -0.58963 59 4XX 0.02939 -0.05581 0.01952 -0.03953 0.00689 60 4YY -0.01391 -0.02969 -0.00367 0.00940 0.02692 61 4ZZ -0.02394 0.06997 0.02947 0.05309 -0.02445 62 4XY -0.01110 0.01937 -0.00611 0.07550 -0.00370 63 4XZ 0.01115 -0.05275 0.00201 0.01232 -0.01025 64 4YZ -0.02542 0.05871 -0.04426 0.05220 -0.02602 65 7 H 1S -0.05207 0.31089 -0.02408 0.37511 -0.16618 66 2S -0.33571 -0.53634 0.56601 -0.87521 -0.13870 67 8 H 1S 0.15782 -0.27107 0.12749 -0.25482 -0.04424 68 2S 0.30240 0.19120 -0.07694 1.23279 0.19514 69 9 H 1S -0.00249 0.11374 0.07086 -0.07335 -0.29147 70 2S 0.17519 -0.46976 -0.40117 0.31144 0.82918 71 10 H 1S 0.02547 -0.16123 -0.05102 0.08163 0.22565 72 2S -0.05253 0.64967 0.12578 0.02604 -0.46590 73 11 C 1S 0.00963 0.02026 -0.01107 -0.00209 0.00197 74 2S -0.11233 -0.14430 0.06053 -0.18975 0.12616 75 2PX 0.10368 -0.13833 0.23996 0.09661 -0.01598 76 2PY 0.01680 0.18566 -0.12456 -0.19430 -0.25144 77 2PZ 0.31726 0.38989 -0.13220 -0.11742 -0.15562 78 3S -0.35963 0.18871 -0.13026 0.55378 0.21746 79 3PX 0.12333 0.37523 -0.43951 -0.40987 -0.09355 80 3PY -0.68742 -0.45203 0.47199 0.51380 0.77863 81 3PZ -1.31706 -1.27770 0.35146 0.38145 0.42565 82 4XX 0.00415 -0.03191 -0.00090 0.04819 0.00600 83 4YY -0.02670 -0.00729 -0.00951 0.00267 0.04859 84 4ZZ -0.01127 0.00993 0.02303 -0.03635 -0.01927 85 4XY 0.00516 -0.01466 -0.00493 0.00553 0.01898 86 4XZ 0.00659 -0.00891 0.01157 0.00535 0.01421 87 4YZ 0.00213 0.01098 0.00059 0.02173 -0.03495 88 12 H 1S 0.02403 0.20850 0.03590 -0.12352 -0.21254 89 2S -0.88283 -0.99631 0.38205 0.37246 0.67649 90 13 C 1S -0.01120 -0.00101 -0.02216 0.00171 0.00599 91 2S 0.24882 0.02082 -0.01673 -0.12295 0.17947 92 2PX 0.06163 -0.20299 0.24011 0.01968 -0.12322 93 2PY 0.14364 -0.01909 0.17169 -0.16027 -0.24543 94 2PZ -0.45408 -0.17121 -0.17456 0.06271 0.09760 95 3S 0.03870 0.14452 -0.11240 -0.14384 -0.77681 96 3PX -0.40177 0.18003 -0.39576 -0.04640 0.38490 97 3PY -1.00128 -0.02210 -0.11386 0.44700 0.72377 98 3PZ 1.61737 0.73058 0.45271 -0.12400 -0.41045 99 4XX 0.01308 0.02190 0.03227 0.01635 -0.02111 100 4YY 0.02353 0.01673 -0.01552 -0.04322 -0.01853 101 4ZZ 0.03049 -0.02542 -0.02380 0.01384 0.03448 102 4XY -0.00725 -0.00436 -0.00765 0.00744 0.00008 103 4XZ -0.01178 -0.00953 0.02074 -0.01499 -0.01392 104 4YZ 0.00494 0.00248 0.00709 -0.04715 0.00541 105 14 H 1S -0.00400 -0.12577 -0.20761 0.21091 0.16420 106 2S 1.17041 0.42645 0.41629 -0.36381 -0.47665 107 15 O 1S -0.00368 -0.00452 0.00087 0.00072 0.00062 108 2S -0.06216 -0.03047 0.11926 0.02071 0.04076 109 2PX 0.03830 0.03159 -0.08007 -0.00165 0.07327 110 2PY 0.01353 -0.01884 -0.06009 0.00849 0.00547 111 2PZ 0.05040 0.05042 -0.03634 0.03454 0.05335 112 3S 0.33710 0.39550 -0.36777 -0.27594 -0.08521 113 3PX 0.11344 0.12262 0.07291 -0.06926 -0.06603 114 3PY 0.03047 0.11223 -0.04373 -0.08019 -0.05121 115 3PZ 0.03340 -0.06196 0.03761 -0.03677 -0.05030 116 4XX -0.02700 0.03307 0.01008 -0.04570 0.03263 117 4YY -0.01642 -0.01317 0.05714 0.02344 -0.02963 118 4ZZ -0.01104 -0.03717 0.03656 0.02912 0.02646 119 4XY 0.02468 0.00015 0.02618 0.01380 -0.03137 120 4XZ -0.00472 -0.01344 0.02312 0.01630 -0.02421 121 4YZ 0.01786 -0.02310 0.01183 0.00996 0.01093 122 16 O 1S 0.00653 0.00244 0.00156 0.00111 0.00128 123 2S 0.05227 -0.05745 0.04139 0.00182 -0.09014 124 2PX -0.01770 0.03551 -0.03792 -0.04008 -0.00359 125 2PY -0.00270 -0.04428 0.01330 0.00480 -0.03842 126 2PZ -0.14207 -0.00175 0.03205 -0.03804 -0.04239 127 3S -0.49580 0.00313 -0.29438 -0.11047 0.32542 128 3PX -0.13182 -0.15320 -0.04404 0.00067 0.05316 129 3PY 0.15803 0.00889 0.04372 0.01613 -0.00343 130 3PZ 0.11282 -0.03138 0.01819 0.01787 0.04314 131 4XX 0.00226 -0.01723 -0.04141 -0.03712 0.00801 132 4YY 0.00912 -0.02724 0.03374 0.04370 -0.03305 133 4ZZ 0.02449 -0.00875 0.04037 -0.00505 -0.04314 134 4XY 0.00572 0.02699 -0.01984 -0.04107 0.00247 135 4XZ 0.01224 -0.01100 0.02185 0.02261 -0.00493 136 4YZ -0.00913 0.01068 -0.02769 0.00926 0.01388 137 17 C 1S 0.00003 -0.01424 0.02582 0.01722 -0.01232 138 2S -0.10366 0.21003 -0.39261 -0.43481 0.26327 139 2PX 0.06721 -0.12026 0.19541 0.13785 -0.08864 140 2PY -0.00155 -0.00158 -0.00078 0.00421 0.00712 141 2PZ 0.17289 -0.12265 0.08081 -0.12523 0.08909 142 3S 0.21927 -0.41460 0.77953 0.91339 -0.53751 143 3PX -0.16668 0.31661 -0.52232 -0.28291 0.23368 144 3PY -0.00219 -0.07098 -0.06041 0.01160 -0.00238 145 3PZ -0.33055 0.17052 -0.00947 0.43475 -0.32474 146 4XX 0.02582 -0.04279 0.06462 0.04888 -0.03478 147 4YY -0.01368 0.03949 -0.07830 -0.07655 0.05313 148 4ZZ -0.02287 0.01183 -0.00582 -0.00135 0.00047 149 4XY -0.00351 0.00730 0.00556 -0.00478 -0.00071 150 4XZ 0.03100 -0.03195 0.03398 0.01606 -0.00578 151 4YZ -0.00965 0.00306 0.00492 -0.00277 -0.00403 152 18 H 1S -0.13209 0.01533 0.08630 0.12819 -0.08738 153 2S 0.25992 -0.01971 -0.26451 -0.59753 0.41613 154 19 H 1S 0.14524 -0.26667 0.40638 0.31195 -0.20293 155 2S -0.42905 0.58376 -0.83274 -0.48038 0.30355 156 20 C 1S -0.00423 -0.02319 0.00081 -0.00328 -0.01392 157 2S 0.23397 0.08391 -0.11988 0.16094 0.16037 158 2PX 0.04675 -0.25538 -0.19222 0.00362 -0.14087 159 2PY 0.40229 -0.33677 -0.20707 0.10769 -0.12342 160 2PZ -0.01368 0.30072 0.05428 -0.04181 0.42725 161 3S -1.54201 0.56047 1.67774 -0.04572 -0.04975 162 3PX -0.30349 1.09970 0.78747 0.01882 0.47088 163 3PY -0.94637 1.46774 1.11305 -0.21249 0.67855 164 3PZ 0.51801 -1.32206 -0.73195 0.00134 -1.20701 165 4XX 0.00855 0.00683 -0.02411 -0.02513 0.02207 166 4YY -0.04264 0.03945 0.05368 0.01937 0.03301 167 4ZZ 0.03392 -0.01723 -0.00820 0.02277 -0.01022 168 4XY 0.00415 0.00511 -0.00876 -0.01741 -0.00129 169 4XZ -0.02167 0.00124 0.00893 0.02492 0.02372 170 4YZ -0.01556 0.00186 0.00447 0.00032 0.02902 171 21 H 1S 0.05764 -0.19303 -0.10848 -0.04524 -0.23859 172 2S -0.45025 1.28893 0.67391 0.01326 1.10530 173 22 C 1S 0.01808 0.00498 0.01869 0.00508 0.02271 174 2S -0.24554 0.03512 -0.02678 0.01956 -0.17622 175 2PX -0.04700 0.23091 0.26066 0.02958 0.21809 176 2PY 0.30114 -0.14340 -0.48385 0.00071 -0.09896 177 2PZ -0.04441 -0.15806 -0.30629 -0.27826 -0.40575 178 3S 1.52505 -1.10771 -0.43092 0.16318 -0.51752 179 3PX 0.26453 -0.98000 -1.01067 -0.04707 -0.61742 180 3PY -0.77605 1.06677 1.84415 0.15362 0.48478 181 3PZ -0.27013 1.06728 1.03699 0.55596 1.49591 182 4XX -0.02453 0.01501 -0.00924 -0.03682 -0.01085 183 4YY 0.04693 -0.03467 -0.04707 0.01647 -0.03886 184 4ZZ -0.01634 -0.00825 0.03372 0.00881 0.00664 185 4XY -0.00906 0.00908 0.01439 0.00280 -0.03156 186 4XZ 0.01645 0.01351 -0.01895 0.01614 -0.03486 187 4YZ 0.00449 -0.01495 -0.00183 0.03066 0.05954 188 23 H 1S 0.06156 0.05587 0.19190 0.10665 0.35492 189 2S 0.16343 -0.80960 -1.29250 -0.42899 -1.28966 96 97 98 99 100 V V V V V Eigenvalues -- 0.88100 0.88707 0.89398 0.89863 0.90400 1 1 C 1S 0.01985 0.01008 0.01699 0.00504 0.01482 2 2S -0.30379 0.11781 -0.25706 -0.11123 -0.00717 3 2PX 0.03527 0.19597 0.04385 -0.01576 -0.02152 4 2PY -0.46986 0.13716 -0.43084 -0.05494 -0.23916 5 2PZ 0.06406 -0.23376 0.17968 0.00139 -0.01484 6 3S 0.28041 0.79266 0.35834 0.05209 -0.26894 7 3PX -0.03695 -0.87359 0.36493 -0.35538 -0.16794 8 3PY 1.45535 -0.63179 1.25911 0.30777 0.83224 9 3PZ -0.22530 1.92841 -0.80757 0.45222 0.19204 10 4XX -0.02893 0.02190 -0.00458 0.01175 -0.00539 11 4YY 0.04823 0.00248 0.04970 -0.00082 0.03347 12 4ZZ -0.06546 0.01997 -0.06339 -0.02703 -0.03892 13 4XY -0.03206 0.01693 -0.01371 -0.01246 -0.00203 14 4XZ 0.01685 -0.03845 -0.01135 -0.00729 -0.02852 15 4YZ 0.00628 -0.07425 0.02932 -0.02200 0.01840 16 2 C 1S -0.01684 -0.00348 -0.01080 0.01218 0.01679 17 2S 0.05078 -0.17727 0.33307 -0.14234 -0.02698 18 2PX -0.06324 -0.18489 -0.00063 0.02787 0.01376 19 2PY -0.05438 0.26692 -0.50345 0.09484 0.24475 20 2PZ 0.07311 0.16447 -0.22807 -0.10489 -0.02469 21 3S -0.60574 -0.54313 -0.27806 0.63078 0.08470 22 3PX 0.15121 0.61988 -0.53239 -0.48916 -0.17330 23 3PY -0.01315 -0.95759 1.43453 -0.36369 -0.75427 24 3PZ -0.50921 -1.36499 1.20754 1.10936 0.30907 25 4XX -0.00032 -0.01367 0.03145 0.02263 -0.00008 26 4YY -0.03435 0.01151 -0.05819 0.00069 0.03690 27 4ZZ 0.00405 -0.04466 0.07296 -0.02560 -0.04078 28 4XY 0.01196 0.00759 -0.03413 0.00865 0.00642 29 4XZ 0.02812 0.01902 -0.01737 -0.02770 -0.03767 30 4YZ -0.02043 -0.04840 0.04984 0.03901 -0.01309 31 3 C 1S 0.00114 -0.01202 -0.00833 -0.02381 -0.00613 32 2S -0.30529 0.30370 0.22339 -0.14786 0.15678 33 2PX 0.05014 0.47714 0.19187 -0.21112 0.04711 34 2PY -0.10618 -0.06374 0.13137 0.02083 -0.00074 35 2PZ 0.27009 0.08401 0.28426 -0.13148 0.04803 36 3S 0.76954 -0.35278 -0.15549 0.88483 0.16792 37 3PX -0.36018 -1.61078 -0.16213 0.31550 -0.28544 38 3PY 0.06799 0.93751 -0.69497 0.18027 0.07495 39 3PZ -0.49751 0.02808 -1.02843 0.38404 0.00134 40 4XX -0.00818 -0.04310 -0.03916 -0.02253 -0.01527 41 4YY -0.05875 0.02893 0.04089 0.02420 0.03490 42 4ZZ 0.01936 0.05455 0.03656 -0.03757 0.01314 43 4XY 0.05782 -0.05211 -0.02863 0.02583 0.01825 44 4XZ -0.01272 -0.01990 -0.02776 -0.02441 -0.04569 45 4YZ -0.02239 0.03264 -0.03101 0.05503 0.01774 46 4 H 1S 0.08977 0.06554 0.03587 -0.36778 -0.15451 47 2S -0.59286 -0.38846 -0.64019 0.45966 -0.00006 48 5 H 1S 0.12719 -0.37318 -0.35182 -0.06537 -0.07129 49 2S -0.03584 1.18422 0.73886 -0.41916 0.21907 50 6 C 1S 0.00629 -0.00677 -0.00402 -0.02404 -0.00464 51 2S -0.35495 -0.02424 0.21411 -0.02598 0.18134 52 2PX -0.14331 -0.32267 0.04280 -0.00264 0.13161 53 2PY 0.04691 -0.15927 0.00191 0.00664 -0.00078 54 2PZ -0.03095 -0.20643 -0.34462 0.03773 0.18712 55 3S 0.43096 0.20772 -0.49643 0.73081 0.07683 56 3PX 0.34391 1.17287 -0.25753 -0.25182 -0.39080 57 3PY 0.00438 0.96025 -0.59099 -0.44557 -0.11423 58 3PZ 0.11102 0.35005 1.25444 -0.04053 -0.44939 59 4XX 0.01537 0.02021 -0.00415 -0.03337 -0.02295 60 4YY -0.05550 0.02658 0.03655 0.03009 0.03625 61 4ZZ -0.02115 -0.04830 -0.00332 -0.01356 0.02265 62 4XY -0.04716 -0.01200 0.06417 -0.01182 -0.01152 63 4XZ 0.02459 0.01107 0.01830 -0.03929 -0.05349 64 4YZ -0.00868 -0.01100 -0.03032 -0.05076 -0.01279 65 7 H 1S -0.02714 -0.24379 -0.01989 -0.26344 -0.09445 66 2S 0.06446 0.67310 0.77115 0.00552 -0.31054 67 8 H 1S 0.31047 0.09911 -0.08709 -0.24242 -0.16901 68 2S -0.60687 -0.72742 0.00516 0.10512 0.48785 69 9 H 1S -0.08421 0.11711 -0.31180 0.04312 0.28414 70 2S 0.16063 -0.66621 1.30078 -0.34831 -0.71302 71 10 H 1S 0.31546 -0.02518 0.25116 0.00285 0.26860 72 2S -1.26963 0.32879 -1.10307 -0.25966 -0.70632 73 11 C 1S -0.00069 -0.00404 0.00868 0.00833 -0.00566 74 2S -0.38294 -0.09629 0.13921 -0.22558 0.34728 75 2PX 0.14255 0.00227 -0.08946 -0.15112 0.00401 76 2PY 0.14663 0.08067 0.04636 0.14003 -0.16980 77 2PZ 0.34447 0.14640 0.12187 0.15359 -0.26482 78 3S 0.69431 0.16458 -0.77902 0.61839 -0.77100 79 3PX -0.03678 0.14433 0.37165 0.30530 -0.11427 80 3PY -0.66406 -0.29850 -0.46966 -0.17384 0.49362 81 3PZ -0.93345 -0.53721 -0.58984 -0.23123 0.64280 82 4XX -0.03968 -0.00899 -0.00117 -0.02489 0.02737 83 4YY -0.02816 -0.01528 -0.01855 -0.01166 0.02271 84 4ZZ -0.00321 -0.00170 0.01994 0.02291 0.00483 85 4XY -0.02455 -0.00341 0.00480 -0.04204 0.04765 86 4XZ 0.00284 -0.00374 -0.01765 -0.05790 0.00246 87 4YZ 0.05097 -0.00699 -0.00705 0.02404 -0.05029 88 12 H 1S 0.16295 0.02127 0.09947 0.18617 -0.22089 89 2S -1.08328 -0.48221 -0.39092 -0.57382 0.95017 90 13 C 1S -0.00704 0.00584 -0.00244 0.00976 -0.00631 91 2S -0.32108 0.19861 0.12087 -0.26798 0.34050 92 2PX 0.09967 -0.09085 -0.09527 -0.11855 0.01283 93 2PY -0.10053 0.12414 0.16394 -0.16022 0.14383 94 2PZ 0.05522 -0.20899 -0.28301 0.27483 -0.21148 95 3S 0.97217 -0.44555 0.04542 0.56166 -0.79804 96 3PX -0.26850 0.02094 -0.12356 0.37840 -0.07166 97 3PY -0.00639 -0.45939 -0.82822 0.44098 -0.36122 98 3PZ 0.19127 0.66112 0.89348 -0.77276 0.47088 99 4XX -0.02333 0.02160 0.04226 -0.02791 0.02433 100 4YY -0.00763 0.01786 0.02460 -0.01657 0.01583 101 4ZZ -0.00278 0.00802 -0.01788 0.01408 0.00838 102 4XY 0.02549 -0.00067 -0.00727 0.04460 -0.04658 103 4XZ -0.00121 -0.02054 0.00070 -0.04985 0.00048 104 4YZ -0.04212 0.01614 0.03769 -0.02474 0.04821 105 14 H 1S 0.09359 -0.05926 -0.20745 0.17488 -0.19866 106 2S -0.21933 0.70296 0.98926 -0.97220 0.78401 107 15 O 1S -0.00781 -0.00061 0.00103 -0.00211 0.00855 108 2S 0.07293 -0.05413 -0.05229 -0.22352 -0.03844 109 2PX -0.04841 0.06344 0.03891 -0.05454 0.06608 110 2PY -0.07898 0.03071 0.05481 0.20255 0.16468 111 2PZ 0.00271 0.06596 0.03258 -0.13656 0.06850 112 3S 0.02319 0.10610 0.24415 0.24148 -0.15518 113 3PX 0.09344 -0.00808 0.05751 0.15633 -0.12027 114 3PY 0.23029 -0.04005 -0.07968 -0.26419 -0.36153 115 3PZ 0.00063 -0.03778 -0.03872 0.10344 -0.11533 116 4XX -0.00441 -0.01401 0.00111 -0.07713 -0.00877 117 4YY 0.05954 -0.02027 -0.01731 -0.05565 -0.03769 118 4ZZ 0.00629 -0.01677 -0.02712 -0.09737 0.00340 119 4XY 0.02356 0.01595 0.01932 0.03289 -0.00436 120 4XZ 0.01124 0.00765 -0.01386 0.02045 -0.00602 121 4YZ 0.00602 0.00086 -0.01011 -0.03343 0.00834 122 16 O 1S -0.00318 0.00387 0.00452 -0.00478 0.00849 123 2S 0.02755 -0.07129 -0.05419 -0.20595 -0.03061 124 2PX -0.10762 -0.04406 0.03022 -0.01929 0.08212 125 2PY 0.04009 -0.10169 -0.04840 -0.17379 -0.16138 126 2PZ -0.09618 -0.07751 -0.00630 -0.06967 0.09058 127 3S -0.16552 -0.01242 -0.12301 0.33529 -0.14063 128 3PX 0.02490 0.03652 -0.09193 0.18928 -0.12770 129 3PY -0.10952 0.21111 0.17122 0.19274 0.34631 130 3PZ 0.07948 0.03274 0.00521 0.04417 -0.13036 131 4XX -0.02097 -0.01883 -0.01322 -0.06936 -0.00460 132 4YY 0.04208 -0.03013 -0.04250 -0.05356 -0.03197 133 4ZZ -0.00216 -0.02246 0.00296 -0.08919 0.00306 134 4XY -0.00391 0.00257 0.01785 -0.03956 0.00053 135 4XZ 0.02665 -0.00407 0.00110 0.01550 -0.00655 136 4YZ 0.00064 0.01287 0.00431 0.03138 -0.00945 137 17 C 1S 0.01278 -0.00141 -0.00541 -0.00445 0.01180 138 2S -0.14684 -0.17975 -0.06345 -0.75461 -0.13990 139 2PX 0.02121 0.06830 0.03498 0.26306 0.07834 140 2PY 0.00943 -0.00040 0.00216 -0.00399 -0.00072 141 2PZ -0.18285 0.00944 0.05415 -0.15604 -0.03928 142 3S 0.23462 0.48916 0.22262 1.98352 0.45854 143 3PX -0.18753 -0.02585 0.04957 -0.22954 0.13746 144 3PY -0.03716 0.02785 -0.04195 0.01546 0.00289 145 3PZ 0.65013 -0.12683 -0.26979 0.12742 -0.03990 146 4XX 0.04790 -0.01194 -0.02479 -0.01980 -0.01677 147 4YY -0.05090 -0.00064 0.01374 -0.03621 0.01639 148 4ZZ -0.00768 0.00269 0.00674 0.00071 0.02512 149 4XY 0.00449 0.01068 -0.00021 -0.00323 -0.00148 150 4XZ -0.00061 -0.00111 -0.00230 -0.01760 0.01415 151 4YZ -0.00644 -0.00301 -0.00248 0.00143 -0.00019 152 18 H 1S 0.03230 0.06193 0.03890 0.22068 0.19639 153 2S -0.50356 -0.09264 0.08284 -0.78408 -0.21303 154 19 H 1S 0.18991 0.01956 -0.05356 0.16378 0.06464 155 2S -0.07272 -0.18422 -0.07225 -0.63071 -0.09717 156 20 C 1S -0.02607 0.00025 0.00443 0.00486 -0.00795 157 2S 0.16362 0.02068 0.10150 -0.08352 0.30669 158 2PX -0.21491 -0.05812 0.14087 -0.00300 -0.19405 159 2PY -0.04521 0.23154 -0.05162 -0.18200 -0.23469 160 2PZ 0.33999 0.31240 -0.28773 -0.11521 0.34381 161 3S -0.41177 0.22101 -0.91030 -0.47720 -0.90631 162 3PX 0.35266 0.33714 -0.43890 0.00687 0.47824 163 3PY -0.16417 -1.18023 0.47802 1.13682 0.78195 164 3PZ -1.04789 -1.94608 1.36356 0.45187 -0.74777 165 4XX 0.03957 0.00748 -0.00421 -0.00463 0.01940 166 4YY -0.01336 -0.03694 0.01649 -0.02292 0.00901 167 4ZZ -0.01820 0.05500 -0.02505 0.00872 0.02338 168 4XY -0.02904 0.01612 0.02241 0.06633 -0.01632 169 4XZ 0.00025 -0.03307 0.00622 -0.02419 0.04424 170 4YZ 0.07557 -0.01148 -0.02702 -0.04658 0.04513 171 21 H 1S -0.27539 0.08478 0.17203 0.27548 -0.18555 172 2S 0.92687 0.42180 -0.56149 -0.10723 1.13449 173 22 C 1S -0.01043 0.01114 0.01152 0.00408 -0.00759 174 2S -0.15148 -0.07621 -0.10796 0.02605 0.34492 175 2PX -0.16951 0.11106 0.01407 -0.00324 -0.20874 176 2PY 0.17557 0.21185 -0.13017 -0.01648 0.18777 177 2PZ 0.10472 -0.44914 0.06827 0.01860 0.39253 178 3S 0.86726 -0.50783 0.73336 -0.92620 -0.97897 179 3PX 0.34710 -0.40219 0.21237 0.06809 0.54003 180 3PY -0.53910 -1.46855 0.51874 -0.09929 -0.54993 181 3PZ -0.47209 2.23266 -0.77841 -0.25640 -1.03234 182 4XX 0.00622 -0.02289 -0.02394 0.00957 0.02390 183 4YY -0.00993 0.01404 -0.01617 -0.04649 0.00706 184 4ZZ -0.00941 -0.02061 0.05516 0.03157 0.02891 185 4XY 0.02198 -0.02599 -0.00997 -0.06527 0.01518 186 4XZ -0.00150 0.01718 -0.00591 -0.04766 0.03727 187 4YZ -0.04117 0.04501 0.02774 0.03688 -0.04721 188 23 H 1S -0.15067 0.17496 0.07537 0.30113 -0.17598 189 2S 0.48611 -0.78138 -0.02252 -0.04499 1.20727 101 102 103 104 105 V V V V V Eigenvalues -- 0.91944 0.95009 0.96227 0.97355 0.98664 1 1 C 1S -0.00317 -0.00665 0.00473 -0.01100 -0.00960 2 2S 0.28890 -0.32079 0.07769 0.17533 -0.12995 3 2PX -0.03099 -0.04497 0.04717 0.03982 -0.01299 4 2PY 0.36881 -0.29443 0.02894 0.20347 -0.04452 5 2PZ -0.10425 0.00910 0.04898 0.26119 0.20362 6 3S -0.41039 0.95862 -0.67831 -1.62772 0.73514 7 3PX 0.14038 0.24280 -0.21729 0.18823 0.19006 8 3PY -0.79852 0.38720 0.06922 -0.33549 0.24824 9 3PZ 0.14910 -0.31757 -0.52251 -1.98829 -0.44252 10 4XX -0.00559 -0.03149 0.03020 0.07494 0.00828 11 4YY -0.02867 0.01763 0.00262 -0.01913 -0.06150 12 4ZZ 0.08886 -0.03868 -0.02318 -0.07026 0.03131 13 4XY 0.01702 -0.00757 -0.05117 -0.03784 0.02961 14 4XZ 0.00621 0.01708 -0.02841 0.02357 -0.00652 15 4YZ 0.00911 0.00419 -0.01871 -0.02377 0.02426 16 2 C 1S -0.00615 -0.00500 -0.00597 0.00750 0.01243 17 2S 0.32831 -0.28824 0.01316 -0.13010 0.15575 18 2PX -0.06076 -0.04744 -0.01372 -0.00610 0.00065 19 2PY -0.39837 0.25439 -0.04870 0.17150 -0.06331 20 2PZ -0.05026 -0.02032 -0.06673 -0.30730 -0.19449 21 3S -0.91264 0.74398 0.48002 1.59254 -0.81210 22 3PX 0.22620 0.16020 0.07089 -0.31050 -0.21487 23 3PY 0.80018 -0.31358 0.18307 -0.19930 0.16784 24 3PZ -0.29444 -0.04529 0.70233 2.20010 0.51376 25 4XX -0.00299 -0.03828 -0.01093 -0.07719 0.00613 26 4YY -0.02940 0.02483 -0.01158 0.02654 0.05105 27 4ZZ 0.08005 -0.03700 0.02613 0.06881 -0.02823 28 4XY -0.01500 0.00084 -0.05378 -0.04925 0.03345 29 4XZ 0.01804 0.03147 0.02074 -0.02683 -0.00221 30 4YZ -0.01315 0.00371 -0.01282 -0.02469 0.02881 31 3 C 1S 0.01185 0.00503 -0.02560 0.00818 -0.01243 32 2S -0.16644 -0.25531 0.66305 -0.27173 0.28205 33 2PX -0.09041 -0.27082 0.19522 -0.04497 0.13089 34 2PY -0.00602 -0.15082 0.22009 -0.00959 0.20658 35 2PZ -0.13140 0.17451 -0.27892 0.09784 -0.06692 36 3S 0.08765 0.46312 -1.52719 0.25182 -0.67037 37 3PX 0.23518 0.63056 -0.10217 0.75715 -0.15456 38 3PY 0.09137 0.04042 -0.42508 -0.48991 -0.92634 39 3PZ 0.05606 -0.35099 0.80472 0.05481 -0.08537 40 4XX 0.03565 0.00482 -0.04566 -0.09874 0.03109 41 4YY -0.03831 -0.05913 0.04527 -0.01689 0.03601 42 4ZZ -0.01560 0.00774 0.06280 0.08253 -0.03955 43 4XY -0.01548 0.00013 -0.01532 -0.02243 0.00218 44 4XZ 0.01518 0.01970 -0.05673 0.05324 -0.01230 45 4YZ -0.03424 -0.06251 0.02778 -0.02327 0.02655 46 4 H 1S 0.10947 0.29798 -0.33956 0.46226 -0.35196 47 2S -0.02660 -0.56574 1.08082 -0.45632 0.69377 48 5 H 1S 0.11725 0.12581 -0.54658 -0.10269 -0.09988 49 2S -0.31426 -0.54619 0.92594 -0.09866 0.45623 50 6 C 1S 0.01129 0.01083 0.02371 -0.00731 0.00878 51 2S -0.23691 -0.51910 -0.70250 0.10126 -0.11797 52 2PX -0.18782 -0.33907 -0.19177 0.03571 -0.08978 53 2PY 0.00494 0.23751 0.19755 0.04976 0.13818 54 2PZ -0.23450 0.21535 0.20632 -0.07533 0.00591 55 3S 0.21188 1.14146 1.66917 0.23154 0.34756 56 3PX 0.51703 0.53274 0.08884 -0.70984 0.04051 57 3PY 0.05133 -0.30495 -0.46632 -0.68091 -0.83329 58 3PZ 0.42547 -0.28896 -0.69959 -0.15124 0.20503 59 4XX 0.02812 -0.01345 0.01896 0.10835 -0.04224 60 4YY -0.04216 -0.07993 -0.04613 -0.00179 -0.00726 61 4ZZ -0.01516 0.01779 -0.04027 -0.09493 0.04292 62 4XY 0.01063 -0.00735 -0.02447 -0.00639 -0.01107 63 4XZ 0.02889 0.03762 0.06754 -0.02325 -0.01014 64 4YZ 0.03360 0.06439 -0.01437 -0.03483 -0.00147 65 7 H 1S 0.12716 0.46065 0.25241 -0.43398 0.21337 66 2S 0.14562 -0.91769 -0.95205 0.28060 -0.41054 67 8 H 1S 0.18519 0.27385 0.54403 0.15216 0.03456 68 2S -0.58336 -0.76560 -0.92254 -0.07285 -0.26845 69 9 H 1S -0.31020 0.17822 -0.07134 0.08959 0.06272 70 2S 0.96723 -0.56029 0.21829 -0.40466 0.03273 71 10 H 1S -0.28703 0.19034 0.00579 -0.08738 -0.10153 72 2S 0.89860 -0.62761 -0.03288 0.52154 -0.01336 73 11 C 1S 0.00385 0.00108 -0.01122 -0.01229 0.00000 74 2S 0.13989 0.27345 -0.24150 0.11340 0.58625 75 2PX -0.08740 -0.14864 -0.00856 -0.05760 0.04360 76 2PY -0.04634 -0.09844 -0.07068 0.05911 0.06103 77 2PZ 0.04471 -0.09774 -0.08212 -0.01923 -0.26588 78 3S -0.23245 -0.73765 1.18901 -0.44166 -2.35984 79 3PX 0.14088 0.32325 -0.13027 0.64818 0.34762 80 3PY 0.09257 0.33638 0.61730 -0.32903 -0.64766 81 3PZ -0.03091 0.24195 0.49330 -0.14455 0.70380 82 4XX 0.03008 0.01065 -0.00002 0.00780 0.00532 83 4YY -0.00126 0.01240 0.00512 -0.00986 -0.00177 84 4ZZ 0.00252 0.00375 -0.01388 -0.01093 0.02033 85 4XY 0.02289 -0.01126 0.01104 0.00958 -0.01223 86 4XZ -0.02470 -0.01495 0.00035 -0.00949 0.01419 87 4YZ 0.01325 -0.08278 0.00731 -0.00379 -0.00428 88 12 H 1S 0.00525 -0.20138 -0.03333 -0.17320 -0.16554 89 2S 0.06855 0.69173 0.32332 -0.02507 0.78523 90 13 C 1S 0.00333 0.00351 0.00886 0.01301 -0.00252 91 2S 0.11773 0.20564 0.16285 -0.08730 -0.66544 92 2PX -0.10054 -0.14845 0.07597 0.05277 -0.00263 93 2PY 0.04018 0.05272 -0.07708 0.06518 0.04030 94 2PZ 0.03455 -0.02759 0.07381 0.02113 0.26510 95 3S -0.16200 -0.56849 -0.98946 0.37238 2.55908 96 3PX 0.15985 0.27439 -0.01161 -0.65885 -0.40363 97 3PY -0.10368 -0.24571 0.68363 -0.38590 -0.54945 98 3PZ 0.00447 0.03700 -0.47842 0.16248 -0.74158 99 4XX 0.03021 -0.00086 -0.00013 -0.01895 -0.00430 100 4YY -0.00173 0.00494 -0.01095 0.00987 -0.00077 101 4ZZ 0.00173 0.01539 0.01382 0.02286 -0.02686 102 4XY -0.02303 0.01377 0.01162 -0.01050 -0.00139 103 4XZ -0.02714 -0.01905 0.00597 0.01384 -0.01296 104 4YZ -0.01351 0.07494 -0.01315 -0.01327 -0.01532 105 14 H 1S 0.00600 -0.10094 0.06806 0.20027 0.17853 106 2S 0.07700 0.42643 -0.47303 0.08575 -0.94688 107 15 O 1S 0.00308 0.00320 0.00165 -0.00077 0.00169 108 2S -0.06251 -0.07987 -0.09484 -0.17541 0.23330 109 2PX 0.12338 0.03405 -0.03092 0.05787 0.03979 110 2PY 0.13509 0.10484 0.07477 0.24625 -0.10185 111 2PZ 0.06306 0.00073 -0.11431 0.16804 0.30965 112 3S -0.00973 0.14800 0.00763 0.52069 -0.34369 113 3PX -0.07404 0.05681 -0.11006 -0.02881 0.04730 114 3PY -0.25524 -0.22146 -0.15674 -0.31077 0.21405 115 3PZ -0.07574 -0.01032 0.16010 -0.28683 -0.58129 116 4XX -0.03257 0.01647 -0.05285 -0.06288 0.10670 117 4YY -0.02451 -0.05902 -0.01917 -0.01732 0.08006 118 4ZZ -0.01524 -0.03036 -0.02075 -0.07597 0.04366 119 4XY 0.02947 -0.00262 -0.01338 0.00118 0.01163 120 4XZ -0.01043 -0.01442 0.01257 -0.01451 -0.01436 121 4YZ -0.01989 -0.01940 0.00913 0.00213 -0.00542 122 16 O 1S 0.00324 0.00258 -0.00206 0.00147 -0.00281 123 2S -0.09478 -0.09900 0.12547 0.17711 -0.22796 124 2PX 0.10819 0.01659 0.01245 -0.03989 -0.06520 125 2PY -0.16095 -0.09670 0.11536 0.21030 -0.06139 126 2PZ 0.03696 -0.05549 0.11063 -0.15937 -0.30887 127 3S 0.03652 0.18658 -0.08308 -0.52319 0.31941 128 3PX -0.06833 0.07942 0.08216 0.00131 -0.03659 129 3PY 0.29229 0.21012 -0.22551 -0.25294 0.13626 130 3PZ -0.04335 0.08248 -0.16319 0.26654 0.57844 131 4XX -0.04508 0.00957 0.04876 0.06582 -0.11652 132 4YY -0.03290 -0.06429 0.04134 0.01372 -0.06629 133 4ZZ -0.02510 -0.03770 0.03280 0.07501 -0.04092 134 4XY -0.02716 -0.00028 -0.01337 0.00321 0.00872 135 4XZ -0.00909 -0.00920 -0.00578 0.01053 0.02209 136 4YZ 0.01981 0.01973 0.00227 -0.00374 -0.00926 137 17 C 1S -0.00192 -0.00915 0.00198 0.00197 0.00036 138 2S -0.62793 -0.21922 0.05367 0.03209 0.00758 139 2PX 0.30984 0.17168 -0.04768 0.00243 -0.02747 140 2PY 0.00703 0.00558 -0.05640 -0.06139 0.11483 141 2PZ -0.09281 0.10371 -0.02145 -0.00638 -0.00775 142 3S 1.68494 0.73188 -0.17862 -0.05639 -0.05316 143 3PX -0.25137 -0.09318 0.03919 0.03296 0.00498 144 3PY -0.01384 -0.01179 0.19412 0.06735 -0.43801 145 3PZ 0.01669 -0.60886 0.12260 0.00863 0.06238 146 4XX -0.03731 -0.07081 0.01510 0.00019 0.01085 147 4YY -0.04354 0.02725 -0.00466 0.00567 -0.00661 148 4ZZ 0.02591 0.02239 -0.00421 0.00224 -0.00392 149 4XY 0.00376 -0.00002 -0.02656 -0.05095 0.03745 150 4XZ 0.00282 -0.00597 0.00042 0.00331 -0.00199 151 4YZ -0.00145 0.00224 -0.00036 0.03404 0.04198 152 18 H 1S 0.30252 0.14984 -0.03503 0.00673 -0.02334 153 2S -0.71476 0.05074 0.00382 0.01320 -0.00915 154 19 H 1S 0.18514 -0.04104 -0.00102 0.01081 -0.00464 155 2S -0.64980 -0.36333 0.09826 0.02474 0.03715 156 20 C 1S -0.00206 -0.00067 -0.00116 0.00092 0.01048 157 2S 0.29850 -0.18022 -0.08277 0.48646 0.45083 158 2PX 0.04280 0.13675 -0.09778 0.01880 0.05432 159 2PY -0.04954 0.12633 -0.22657 -0.22073 0.07451 160 2PZ 0.10366 -0.16513 -0.04064 -0.00506 0.07366 161 3S -0.47212 0.41584 0.35995 -1.61948 -1.95154 162 3PX -0.10010 -0.22083 -0.05118 -0.39973 0.13166 163 3PY -0.41163 -0.26065 1.15951 1.88449 -0.67890 164 3PZ -0.18409 0.27688 0.63666 1.11205 -0.60531 165 4XX 0.03066 -0.00413 -0.00577 0.02064 0.03106 166 4YY 0.04298 -0.02432 0.02750 0.03758 -0.00126 167 4ZZ -0.02800 0.00908 -0.02135 -0.00047 0.03505 168 4XY -0.03083 -0.00999 -0.01271 -0.00488 0.03041 169 4XZ 0.00079 -0.00349 0.03207 0.02255 -0.03013 170 4YZ 0.04760 -0.03207 0.00842 -0.01300 -0.02909 171 21 H 1S -0.26696 0.10943 -0.14461 -0.16446 0.19088 172 2S 0.31195 -0.47885 0.14396 0.46415 0.27542 173 22 C 1S -0.00418 -0.00246 0.00319 -0.00029 -0.00889 174 2S 0.27570 -0.27063 0.19122 -0.41289 -0.41752 175 2PX 0.04660 0.12692 0.01104 -0.04760 -0.09537 176 2PY 0.14681 -0.11603 -0.18059 -0.19081 0.10383 177 2PZ 0.05674 -0.15292 0.09509 0.04442 -0.04630 178 3S -0.35238 0.81066 -0.74939 1.27884 1.79978 179 3PX -0.17406 -0.20051 0.18654 0.44196 -0.06157 180 3PY -0.24301 0.23061 1.02029 1.80953 -0.81410 181 3PZ 0.21224 0.21458 -0.68230 -1.06044 0.51127 182 4XX 0.02594 -0.01163 0.00612 -0.02102 -0.02901 183 4YY 0.05627 -0.02766 -0.01733 -0.03150 0.00269 184 4ZZ -0.04277 0.00467 0.02674 0.00699 -0.03494 185 4XY 0.03172 0.01169 -0.02057 -0.00426 0.01802 186 4XZ 0.01295 0.00038 -0.02721 -0.01271 0.02617 187 4YZ -0.04277 0.02696 0.00276 -0.01039 -0.03123 188 23 H 1S -0.30299 0.09017 0.12356 0.12973 -0.16420 189 2S 0.33254 -0.48549 0.06344 -0.34699 -0.17400 106 107 108 109 110 V V V V V Eigenvalues -- 1.01157 1.05382 1.07609 1.12041 1.12886 1 1 C 1S -0.00501 -0.00327 0.01612 -0.00723 -0.00711 2 2S -0.48655 -0.22467 0.05680 -0.61162 -0.49295 3 2PX 0.11255 0.03243 0.11381 0.15003 0.03046 4 2PY -0.04944 -0.00964 0.04954 -0.01471 0.00078 5 2PZ -0.07902 0.13189 0.12722 -0.13260 -0.03073 6 3S 1.97531 0.04459 -0.87618 2.06442 1.72625 7 3PX -0.26853 0.38044 0.10174 -0.44327 0.03574 8 3PY 0.17866 -0.64859 0.30211 -0.49328 -0.69003 9 3PZ 0.98779 -1.03010 -0.69800 0.96567 0.01334 10 4XX 0.01605 -0.09252 0.05157 -0.03190 -0.07305 11 4YY -0.08445 0.08154 -0.01389 -0.03053 -0.00455 12 4ZZ 0.02828 -0.01803 -0.01858 0.01744 0.02593 13 4XY 0.02247 -0.03898 0.01914 -0.00516 0.05841 14 4XZ 0.01946 0.03101 -0.00040 0.03724 0.02752 15 4YZ 0.00583 0.04235 0.00511 0.00980 0.00335 16 2 C 1S 0.00663 -0.00301 -0.01682 -0.00841 -0.00614 17 2S 0.48424 -0.27063 -0.05819 -0.64423 -0.28048 18 2PX -0.10730 0.04072 -0.11688 0.13840 -0.01617 19 2PY -0.04393 -0.00324 0.05000 0.04115 0.09133 20 2PZ 0.09060 0.10906 -0.12756 -0.13236 0.01120 21 3S -1.95893 0.28472 0.90560 2.24188 1.37105 22 3PX 0.26355 0.27751 -0.09573 -0.46144 0.28607 23 3PY 0.14651 0.69209 0.26531 0.36696 0.44403 24 3PZ -1.01578 -0.72359 0.71713 1.05745 -0.08882 25 4XX -0.01012 -0.10081 -0.04691 -0.03390 -0.09218 26 4YY 0.07930 0.07903 0.00964 -0.03918 0.01542 27 4ZZ -0.02861 -0.01021 0.01784 0.02440 0.04136 28 4XY 0.02293 0.02860 0.01483 -0.00178 -0.08186 29 4XZ -0.02172 0.04026 -0.00138 0.03527 -0.00091 30 4YZ 0.01045 -0.03878 0.00616 -0.01248 -0.01653 31 3 C 1S -0.00800 0.00367 0.00012 -0.00363 0.00095 32 2S -0.08177 0.37120 0.01318 -0.04409 0.04739 33 2PX -0.04615 0.11792 0.00440 -0.12641 -0.12217 34 2PY 0.01545 0.03486 0.04147 -0.05729 -0.01805 35 2PZ 0.04270 -0.20662 0.06251 -0.13213 -0.18427 36 3S 0.54289 -1.47248 0.08441 0.31173 -0.44850 37 3PX 0.07152 0.23136 0.07496 0.36902 0.75496 38 3PY -0.09593 -0.15074 -0.38328 0.28804 -0.04728 39 3PZ -0.27498 0.15592 -0.09220 0.10792 0.19586 40 4XX 0.01383 0.02979 -0.00972 -0.00451 0.02533 41 4YY 0.00068 0.05303 0.00626 0.00953 0.02197 42 4ZZ -0.02684 -0.03734 0.01500 -0.01449 -0.04240 43 4XY 0.00578 0.02692 -0.00914 0.01132 -0.02533 44 4XZ 0.00295 -0.06595 0.00767 -0.01677 0.02768 45 4YZ 0.01840 -0.08959 0.00289 -0.03899 -0.05853 46 4 H 1S -0.11939 -0.19130 0.04278 -0.04150 0.00892 47 2S -0.04589 0.62310 -0.06066 0.10459 0.32422 48 5 H 1S -0.00182 -0.13260 -0.03133 -0.05771 -0.09627 49 2S -0.14054 0.22765 0.11463 -0.31114 -0.34060 50 6 C 1S 0.00839 -0.00100 0.00088 -0.00444 0.01513 51 2S 0.11691 0.21368 0.00831 0.00991 0.22852 52 2PX 0.04858 0.13540 -0.00399 -0.11458 -0.02263 53 2PY 0.00857 -0.00157 0.04089 0.05522 0.02786 54 2PZ -0.02606 -0.13601 -0.06178 -0.15127 -0.17308 55 3S -0.61713 -0.92915 -0.12084 0.23795 -1.03494 56 3PX -0.09614 0.13161 -0.07856 0.30816 0.14744 57 3PY -0.06879 0.06219 -0.37291 -0.25438 0.11639 58 3PZ 0.25312 0.01171 0.08819 0.24548 0.20429 59 4XX -0.02314 0.03430 0.00828 0.00395 0.06075 60 4YY 0.00299 0.04246 -0.00249 0.01188 0.02576 61 4ZZ 0.03655 -0.05045 -0.01305 -0.02171 -0.05266 62 4XY 0.00338 -0.02504 -0.00394 -0.00883 0.03197 63 4XZ -0.00908 -0.05727 -0.00262 -0.02018 0.03019 64 4YZ 0.01668 0.09555 -0.00171 0.03676 0.05831 65 7 H 1S 0.13276 -0.12169 -0.03659 -0.03850 0.04069 66 2S 0.03736 0.28783 0.06026 0.16388 0.42008 67 8 H 1S -0.01347 -0.15611 0.03428 -0.07388 0.06181 68 2S 0.19331 0.21869 -0.11164 -0.26601 -0.06311 69 9 H 1S 0.12560 0.33991 0.01255 0.05396 0.18835 70 2S 0.18792 -0.07621 -0.07252 -0.26975 -0.15132 71 10 H 1S -0.13361 0.35828 -0.02894 0.08607 0.19727 72 2S -0.21095 -0.07954 0.07564 -0.21163 -0.08324 73 11 C 1S 0.01203 0.01869 0.00209 0.01209 -0.01078 74 2S 0.49479 0.15942 0.41595 -0.12533 -0.28314 75 2PX 0.00872 -0.03905 0.16028 -0.03241 -0.06434 76 2PY -0.03002 0.12239 0.09950 0.05903 0.00000 77 2PZ -0.02160 0.22764 0.07974 -0.08840 -0.09477 78 3S -0.72272 0.17186 -2.25678 0.08574 -0.05586 79 3PX -0.41603 0.01473 0.13028 0.27253 -0.16659 80 3PY 0.10948 -0.22704 -1.59357 -0.22755 0.16326 81 3PZ 0.67838 -0.45414 -1.18765 -0.07179 0.44413 82 4XX 0.05723 0.03705 0.06393 0.09596 -0.01099 83 4YY 0.01331 0.04105 -0.01414 -0.00586 -0.05377 84 4ZZ 0.04775 -0.04927 -0.05391 -0.07008 0.04632 85 4XY 0.00295 0.04703 0.03778 -0.07010 -0.02684 86 4XZ -0.09779 0.01023 0.02876 0.02274 0.01685 87 4YZ 0.01881 0.00526 -0.03323 -0.02455 0.07738 88 12 H 1S 0.12809 0.06159 -0.39030 -0.14821 0.20585 89 2S 0.44713 -0.37404 -0.30447 0.03064 0.01593 90 13 C 1S -0.01219 0.02017 -0.00280 0.01366 -0.00830 91 2S -0.50529 0.18041 -0.43306 -0.11226 -0.43236 92 2PX -0.01805 -0.00592 -0.17037 -0.02975 -0.13479 93 2PY -0.02116 -0.18517 0.10513 -0.06236 0.08601 94 2PZ 0.00479 0.22741 -0.07921 -0.10222 -0.04091 95 3S 0.70725 0.02387 2.27561 0.01464 0.42593 96 3PX 0.42727 -0.20130 -0.11888 0.21262 0.21163 97 3PY 0.10222 0.47989 -1.63345 0.26491 -0.52623 98 3PZ -0.65095 -0.29800 1.16491 0.02168 -0.16710 99 4XX -0.05233 0.02343 -0.06780 0.09367 0.00981 100 4YY -0.01670 0.03760 0.01209 -0.00642 -0.05175 101 4ZZ -0.04846 -0.03025 0.05820 -0.06323 0.01627 102 4XY 0.00664 -0.04360 0.03767 0.07001 0.02618 103 4XZ 0.09679 0.00600 -0.02801 0.02271 0.03144 104 4YZ 0.02479 -0.01664 -0.03325 0.02201 -0.05526 105 14 H 1S -0.14248 0.19102 0.39506 -0.11849 0.04708 106 2S -0.40969 -0.52452 0.30639 0.04561 -0.10018 107 15 O 1S 0.01102 0.00287 0.00337 -0.00451 -0.00570 108 2S -0.21312 0.10733 0.25900 0.02047 -0.14818 109 2PX 0.08008 0.13778 -0.24494 0.17002 -0.11720 110 2PY 0.30814 0.07731 -0.11355 -0.27074 0.19252 111 2PZ -0.23214 0.04157 -0.32777 0.12690 0.04418 112 3S 0.27467 -0.10719 -0.26707 -0.10825 0.34363 113 3PX -0.35420 -0.10776 0.57794 -0.21556 0.03369 114 3PY -0.53877 -0.04086 0.32830 0.44202 -0.29046 115 3PZ 0.38324 0.00594 0.41878 -0.32216 -0.11243 116 4XX -0.10088 0.03798 0.01168 -0.01249 -0.10711 117 4YY 0.00737 -0.01452 0.06254 -0.01850 0.07021 118 4ZZ -0.09352 0.05860 0.15766 0.07470 -0.10079 119 4XY 0.02828 -0.03361 -0.01362 0.04571 0.01229 120 4XZ -0.03399 -0.04339 -0.11678 0.02045 0.02613 121 4YZ -0.01408 -0.00439 0.02594 0.00836 0.00298 122 16 O 1S -0.01098 0.00494 -0.00315 -0.00400 -0.01045 123 2S 0.20887 0.15771 -0.26194 0.02327 -0.20878 124 2PX -0.08556 0.13472 0.23955 0.16935 -0.10810 125 2PY 0.31328 -0.00652 -0.12951 0.27785 -0.28762 126 2PZ 0.23311 0.04664 0.31721 0.13096 0.02844 127 3S -0.27014 -0.32357 0.27332 -0.14736 0.71118 128 3PX 0.35744 -0.15072 -0.57663 -0.23211 0.14667 129 3PY -0.53797 -0.07514 0.35415 -0.45160 0.45027 130 3PZ -0.38906 0.02648 -0.39975 -0.32493 -0.12649 131 4XX 0.09923 0.06381 -0.01144 -0.00848 -0.14378 132 4YY -0.00646 -0.00429 -0.06236 -0.01819 0.05744 133 4ZZ 0.09195 0.07197 -0.16107 0.07412 -0.11385 134 4XY 0.02658 0.03108 -0.01523 -0.04705 -0.00807 135 4XZ 0.03607 -0.02752 0.11638 0.02432 0.00151 136 4YZ -0.01429 0.00112 0.02903 -0.01054 0.00737 137 17 C 1S -0.00043 -0.00550 0.00102 -0.05068 0.05224 138 2S -0.00250 -0.09197 0.01722 -0.79204 0.80954 139 2PX -0.00634 0.21804 -0.00110 -0.17138 -0.09293 140 2PY -0.16770 -0.01299 0.12346 -0.00156 0.02070 141 2PZ 0.00040 -0.07425 0.00130 -0.07380 -0.01471 142 3S -0.00319 0.41415 -0.03510 1.34864 -1.69935 143 3PX 0.00277 -0.15250 0.00718 0.16724 0.24230 144 3PY 0.56451 0.00838 -0.52609 -0.00878 0.00189 145 3PZ 0.00011 0.13335 -0.01264 0.58307 0.18017 146 4XX 0.00081 -0.08601 0.00141 -0.02247 0.19598 147 4YY -0.00105 0.02446 0.00512 -0.10847 0.01088 148 4ZZ -0.00056 0.02262 -0.00269 -0.02986 -0.02687 149 4XY -0.06168 -0.01171 -0.05616 -0.00287 0.01806 150 4XZ -0.00180 0.04255 -0.00141 0.07335 -0.08577 151 4YZ -0.02579 -0.00208 -0.19716 -0.00218 0.00658 152 18 H 1S -0.00292 0.09524 0.00294 -0.20781 0.01505 153 2S 0.00517 -0.27914 0.01218 -0.52400 0.38039 154 19 H 1S -0.00688 0.14421 0.00025 -0.09254 0.09910 155 2S 0.00630 -0.23411 0.01095 -0.06312 0.55317 156 20 C 1S 0.01268 -0.01739 0.00122 0.01858 0.01754 157 2S 0.26653 -0.42900 0.26906 0.59984 0.51494 158 2PX -0.10756 0.18753 -0.04005 0.01475 0.02403 159 2PY 0.17024 0.18304 -0.00191 -0.03409 0.09640 160 2PZ 0.16302 0.00412 0.00157 -0.09607 -0.12744 161 3S -0.96304 1.47478 -1.29934 -2.17143 -0.76959 162 3PX 0.48709 -0.46460 -0.21020 -0.17112 -0.27370 163 3PY -1.84478 -0.96928 0.15486 0.52408 -0.30772 164 3PZ -1.17706 0.32879 0.56122 0.86843 0.82677 165 4XX -0.01350 0.01999 0.00528 -0.01942 -0.07820 166 4YY -0.01700 -0.00935 0.00309 0.09181 0.08895 167 4ZZ 0.06992 -0.06254 0.00146 -0.00349 0.04388 168 4XY 0.00674 -0.08286 0.00387 -0.01298 -0.09628 169 4XZ -0.02090 -0.00273 -0.01793 -0.01369 0.03957 170 4YZ -0.00105 0.00517 -0.00342 -0.06627 -0.02477 171 21 H 1S 0.06004 -0.31169 -0.05334 -0.02639 -0.19883 172 2S 0.17201 -0.56959 0.01590 0.06656 -0.18357 173 22 C 1S -0.01200 -0.01819 -0.00048 0.01842 0.01780 174 2S -0.24156 -0.51290 -0.25526 0.57637 0.58566 175 2PX 0.10574 0.17404 0.02883 0.00431 0.01488 176 2PY 0.17562 -0.20572 0.00748 0.03151 -0.07732 177 2PZ -0.17005 0.02459 0.00467 -0.07950 -0.13009 178 3S 0.94489 1.77431 1.24020 -2.16173 -1.21653 179 3PX -0.46460 -0.39449 0.23092 -0.10083 -0.09821 180 3PY -1.88609 1.18015 0.12385 -0.40664 0.21377 181 3PZ 1.13118 0.12608 -0.57679 0.70825 0.62085 182 4XX 0.01076 0.01502 -0.00599 -0.01947 -0.06038 183 4YY 0.01916 -0.01337 -0.00363 0.08776 0.09003 184 4ZZ -0.06695 -0.06299 0.00234 -0.00165 0.03204 185 4XY 0.00455 0.08288 0.00145 0.01157 0.08214 186 4XZ 0.02301 0.00116 0.02007 -0.01565 0.01800 187 4YZ 0.00010 -0.00621 -0.00246 0.07173 0.04583 188 23 H 1S -0.04405 -0.31080 0.06290 -0.00657 -0.05400 189 2S -0.15982 -0.57643 0.01547 0.08713 -0.06721 111 112 113 114 115 V V V V V Eigenvalues -- 1.13917 1.14845 1.19743 1.20342 1.25231 1 1 C 1S 0.00452 -0.02903 -0.01485 -0.01650 -0.01820 2 2S 0.51127 -0.42518 -0.20832 -0.10521 -0.37221 3 2PX -0.12311 -0.07532 0.12621 0.00357 0.08151 4 2PY -0.24303 0.08505 -0.36422 -0.17253 0.02253 5 2PZ 0.03812 0.00410 0.06608 -0.00327 0.03900 6 3S -0.41320 1.82578 1.67448 1.12037 0.69181 7 3PX 0.57931 0.44617 -0.38631 -0.49861 -0.51953 8 3PY 0.45688 -0.48326 1.52469 0.78960 -0.29525 9 3PZ -0.14083 -0.11734 -0.07352 0.16386 0.48501 10 4XX -0.06802 -0.03434 0.09850 -0.02833 -0.05426 11 4YY 0.04911 -0.01984 -0.14053 -0.03930 0.02985 12 4ZZ 0.06335 -0.00128 0.01096 0.01981 -0.03204 13 4XY 0.04809 0.02458 0.06089 -0.03656 0.02220 14 4XZ -0.07139 0.03098 -0.07271 -0.03912 -0.03257 15 4YZ 0.03327 0.00154 -0.04147 -0.05357 -0.00549 16 2 C 1S 0.00502 -0.03074 0.00790 0.01026 -0.02613 17 2S -0.39201 -0.64685 -0.16786 0.18995 -0.50791 18 2PX 0.04616 -0.01125 0.08686 -0.12102 0.10756 19 2PY -0.19066 -0.13556 -0.18689 -0.35537 0.07699 20 2PZ -0.09612 -0.00358 -0.00469 -0.07695 -0.02534 21 3S 0.16457 2.35082 -0.48734 -1.50946 0.98051 22 3PX -0.50888 0.21333 0.15400 0.34279 -0.89339 23 3PY 0.31857 0.61152 0.85807 1.73844 -0.70554 24 3PZ 0.33327 -0.01795 0.04741 0.27711 0.57923 25 4XX 0.02749 -0.01679 0.04351 -0.12801 0.00154 26 4YY -0.03852 -0.04343 0.01994 0.16405 -0.04685 27 4ZZ -0.01838 -0.01046 -0.04603 -0.01437 -0.04015 28 4XY 0.03908 -0.01457 -0.04409 0.03678 0.00202 29 4XZ 0.07117 0.05184 0.04259 0.05721 -0.04627 30 4YZ 0.02277 0.00702 -0.03194 -0.04544 0.04996 31 3 C 1S 0.02722 0.02648 0.00884 -0.03424 -0.04396 32 2S 0.33242 0.43234 0.12983 -0.55580 -0.95636 33 2PX 0.09887 0.15754 -0.15274 -0.03764 0.21470 34 2PY -0.00491 0.05281 -0.04363 -0.02852 0.10654 35 2PZ -0.01260 -0.02050 0.02697 -0.00147 -0.06190 36 3S -1.10033 -1.72235 0.35710 2.05519 1.62181 37 3PX -0.71918 -0.16938 0.47011 0.46181 -0.50375 38 3PY -0.21682 -0.41552 -0.96523 -0.48378 0.38412 39 3PZ -0.06292 -0.24383 0.33996 0.15994 0.10682 40 4XX 0.10497 0.02672 -0.03819 -0.06721 -0.02892 41 4YY 0.01201 0.03382 0.02982 -0.02653 -0.08575 42 4ZZ -0.06362 0.00985 0.03704 0.01405 -0.03947 43 4XY -0.03532 0.06985 -0.07101 -0.01819 0.00710 44 4XZ -0.01766 0.01585 0.06744 -0.04105 0.04137 45 4YZ -0.01778 -0.02367 0.11170 -0.02367 0.04707 46 4 H 1S -0.00926 0.05691 0.18326 0.02058 -0.17598 47 2S 0.35440 0.26734 0.31905 -0.27542 -0.35709 48 5 H 1S 0.27269 0.12122 0.05678 -0.23381 -0.14169 49 2S 0.36417 0.39144 -0.09421 -0.29603 -0.10608 50 6 C 1S -0.03156 0.01710 0.02072 -0.01446 -0.05164 51 2S -0.33830 0.32980 0.28175 -0.32364 -0.98690 52 2PX -0.18513 0.08611 0.03760 0.21738 0.14611 53 2PY -0.00426 -0.04449 -0.01952 -0.05240 -0.09337 54 2PZ -0.07414 -0.01231 0.01248 -0.03687 -0.00592 55 3S 1.27300 -1.35272 -1.37173 -0.10259 2.37227 56 3PX 0.84183 0.23609 -0.35766 -0.59313 -0.31736 57 3PY -0.26067 0.33217 -0.59446 -1.06079 0.00294 58 3PZ 0.36601 -0.32545 -0.26434 -0.34988 0.20171 59 4XX -0.05517 -0.00445 0.02436 0.06122 -0.06602 60 4YY -0.00982 0.03103 0.01000 -0.05360 -0.07279 61 4ZZ 0.00839 0.02570 0.00473 -0.06606 -0.01542 62 4XY 0.00098 -0.07762 -0.00900 -0.05695 0.02492 63 4XZ -0.01155 0.01079 0.07574 -0.03954 0.03556 64 4YZ 0.03971 0.02334 -0.05022 0.09254 -0.06050 65 7 H 1S -0.01892 0.05287 -0.04625 -0.22683 -0.14336 66 2S -0.17323 0.09195 0.07756 -0.31615 -0.32744 67 8 H 1S -0.29831 0.01432 0.17011 -0.06195 -0.19355 68 2S -0.53633 0.19298 0.13852 0.10191 -0.17821 69 9 H 1S 0.04096 -0.11407 0.27341 0.48028 -0.25206 70 2S 0.11751 0.03283 0.35388 0.79389 -0.50669 71 10 H 1S 0.01087 -0.08935 -0.42566 -0.30767 0.01928 72 2S -0.16887 0.04044 -0.76422 -0.44386 -0.11303 73 11 C 1S -0.00440 0.01867 -0.00359 0.00719 0.01762 74 2S -0.46649 0.10068 -0.41988 0.27037 0.45629 75 2PX -0.16547 -0.02690 -0.16509 0.10733 0.22990 76 2PY -0.20460 -0.04356 0.04283 0.11730 -0.12301 77 2PZ 0.04222 0.01588 -0.02954 -0.14225 -0.00621 78 3S 1.18521 0.30928 0.59436 -1.40293 -0.44035 79 3PX 0.90453 -0.24917 -0.05418 0.20710 -0.84768 80 3PY 0.98779 0.15471 -0.35840 -0.62778 0.61693 81 3PZ -1.05796 -0.12087 0.36879 0.06093 0.31335 82 4XX 0.03077 0.05501 -0.01136 0.01070 0.09233 83 4YY -0.00692 0.00446 -0.06808 0.05390 0.00655 84 4ZZ -0.06297 0.01354 0.07313 -0.08235 -0.01530 85 4XY -0.01940 -0.07155 0.10675 -0.04996 0.02471 86 4XZ 0.02640 -0.00059 0.08260 0.00777 0.00968 87 4YZ -0.01255 -0.12426 0.00624 0.03714 0.07300 88 12 H 1S -0.33930 -0.04366 0.15177 -0.05796 0.10729 89 2S -0.13069 0.12658 -0.24697 0.13271 0.54422 90 13 C 1S -0.01341 0.01656 -0.00342 0.01190 0.01845 91 2S 0.22884 0.25751 -0.11258 0.42855 0.46776 92 2PX 0.16251 0.05435 -0.04079 0.16271 0.18475 93 2PY -0.17375 -0.04766 0.07182 0.09912 0.06806 94 2PZ -0.12428 -0.01880 0.14231 0.04210 -0.03075 95 3S -1.20800 -0.29215 0.93556 -0.25904 -1.10500 96 3PX -0.58717 -0.57704 -0.42545 -0.13869 -0.49377 97 3PY 0.78736 0.33062 -0.37954 -0.68548 -0.15461 98 3PZ 1.04652 0.31481 0.05726 -0.34485 0.22178 99 4XX -0.06266 0.03130 -0.00780 0.04134 0.11129 100 4YY -0.00456 -0.00003 -0.05598 0.06755 0.00758 101 4ZZ 0.05025 0.04450 0.09317 -0.07300 -0.05367 102 4XY 0.02090 0.06895 -0.08055 0.08467 -0.03473 103 4XZ -0.03319 -0.01084 0.00832 -0.06335 0.02575 104 4YZ -0.08996 0.09825 0.01397 0.01505 -0.08472 105 14 H 1S 0.30808 0.10191 0.14535 -0.13985 0.06486 106 2S 0.06221 0.11631 -0.12374 0.39794 0.47750 107 15 O 1S -0.01658 0.01143 0.01293 -0.01154 -0.00225 108 2S -0.25208 0.15674 0.21479 -0.21233 0.10159 109 2PX -0.04769 -0.04394 0.18066 -0.32124 0.18328 110 2PY 0.23239 0.02616 0.01088 -0.08071 0.05729 111 2PZ 0.08386 -0.46683 0.00206 -0.00913 -0.08237 112 3S 1.04540 -0.38938 -0.60356 0.38695 -0.03261 113 3PX 0.33445 0.01100 -0.53587 0.74784 -0.46358 114 3PY -0.38364 -0.10534 0.02462 0.19381 -0.08889 115 3PZ -0.27136 0.86290 0.05017 -0.12555 0.23541 116 4XX -0.14453 0.08440 0.09229 -0.10331 -0.03491 117 4YY -0.01559 0.02310 0.01186 -0.04371 0.06016 118 4ZZ -0.07990 0.02557 0.08569 -0.02376 0.02339 119 4XY 0.01014 -0.05347 -0.02650 -0.01739 0.00906 120 4XZ -0.03134 -0.01277 -0.01442 0.04982 -0.03462 121 4YZ 0.00022 -0.10329 0.05567 -0.00862 -0.04699 122 16 O 1S 0.00036 0.01517 0.01467 -0.00919 -0.00704 123 2S -0.03509 0.20185 0.28346 -0.12278 0.03405 124 2PX -0.11086 -0.07069 0.35344 -0.07505 0.14168 125 2PY 0.13340 0.06645 -0.06125 -0.01460 -0.04770 126 2PZ 0.13012 -0.46385 -0.01094 -0.06324 -0.01456 127 3S -0.29600 -0.68540 -0.57267 0.43472 0.20996 128 3PX -0.00812 -0.04150 -0.83708 0.30362 -0.32228 129 3PY -0.25896 -0.06873 0.13957 0.09040 0.01167 130 3PZ -0.20196 0.88712 0.17676 0.09766 0.06719 131 4XX -0.00921 0.11176 0.12966 -0.06448 -0.07426 132 4YY 0.03104 0.02886 0.04626 -0.00562 0.04016 133 4ZZ -0.03620 0.04074 0.05584 -0.04752 0.02620 134 4XY -0.03351 0.04874 -0.00401 -0.01535 -0.00296 135 4XZ 0.06117 0.00826 -0.05207 -0.00474 -0.03241 136 4YZ -0.02939 0.09234 -0.01491 0.07124 0.02831 137 17 C 1S 0.00645 0.00555 0.02917 -0.02196 0.03668 138 2S 0.08469 0.08036 0.46356 -0.34807 0.58608 139 2PX -0.05783 0.03818 0.06474 -0.05067 -0.02487 140 2PY -0.08155 -0.01967 0.03162 0.04078 -0.00604 141 2PZ 0.03572 -0.04116 -0.12012 0.07938 -0.07617 142 3S -0.11984 -0.26895 -1.32609 0.97831 -1.69317 143 3PX 0.06298 -0.17197 0.11820 -0.11044 -0.00539 144 3PY 0.01358 0.01597 -0.16295 -0.22586 0.05128 145 3PZ 0.04793 -0.44889 0.41560 -0.30508 0.39654 146 4XX 0.09388 -0.11671 -0.06329 0.03723 0.05291 147 4YY -0.01594 0.01944 0.04865 -0.03968 -0.03753 148 4ZZ -0.03884 0.09442 0.03962 -0.01791 0.04018 149 4XY -0.06208 -0.01228 -0.01165 -0.00895 0.00463 150 4XZ -0.03752 -0.04488 0.10853 -0.08384 -0.00345 151 4YZ -0.02202 -0.00300 -0.00518 -0.00095 -0.00162 152 18 H 1S -0.06527 0.19273 0.11903 -0.08211 0.08799 153 2S 0.10010 0.00866 0.01986 -0.04375 0.07312 154 19 H 1S -0.01293 -0.08123 0.23600 -0.18121 0.18494 155 2S 0.07498 0.00428 0.30582 -0.22314 0.38521 156 20 C 1S 0.00278 0.01141 0.00173 -0.01236 0.01357 157 2S 0.17625 0.43809 -0.15682 -0.24233 0.16984 158 2PX -0.04251 -0.06634 -0.07969 -0.08397 0.07078 159 2PY -0.03182 -0.05833 -0.07248 -0.02452 0.03038 160 2PZ -0.02838 0.00165 0.12258 0.08395 -0.08384 161 3S -0.77694 -1.41167 -0.45087 0.06016 -0.58238 162 3PX 0.47409 -0.00929 0.38829 0.02825 0.08500 163 3PY 0.23564 0.20217 -0.22621 -0.70931 0.50061 164 3PZ -0.62249 0.37171 -0.88729 -0.42715 0.23441 165 4XX 0.03475 -0.00797 0.02235 0.01350 -0.03722 166 4YY 0.01437 0.04900 -0.01056 0.01281 0.04493 167 4ZZ -0.02895 0.01270 -0.00884 -0.06526 0.03134 168 4XY 0.02132 -0.04649 0.00664 -0.00981 0.14804 169 4XZ -0.06341 -0.01824 0.04396 -0.05509 -0.04333 170 4YZ -0.04023 -0.05762 -0.04662 -0.02303 -0.00167 171 21 H 1S 0.35560 -0.01656 0.19917 -0.07920 0.11548 172 2S 0.29406 0.17918 0.33663 -0.03572 -0.08725 173 22 C 1S 0.00152 0.00922 0.01298 0.00606 0.00585 174 2S -0.04594 0.32851 0.22188 0.31478 -0.02336 175 2PX 0.02977 -0.06922 0.11556 0.09307 0.10718 176 2PY -0.04669 0.05120 -0.03257 -0.08458 -0.01032 177 2PZ -0.03416 0.01413 -0.09236 -0.13712 -0.06737 178 3S 0.60876 -0.89384 -0.10073 -0.17935 -0.67094 179 3PX -0.49109 -0.11740 -0.23296 -0.28494 -0.41941 180 3PY 0.19548 -0.13464 -0.69170 -0.31526 0.16835 181 3PZ 0.69920 0.40925 0.76094 0.95602 0.76780 182 4XX -0.04636 -0.02195 -0.03604 -0.03653 -0.02572 183 4YY 0.00484 0.04429 0.00138 0.03000 0.03724 184 4ZZ 0.02480 0.01895 0.07298 0.02838 -0.00225 185 4XY 0.03334 0.05470 -0.01750 -0.01209 -0.12762 186 4XZ 0.04234 -0.00270 0.07343 -0.04561 -0.01215 187 4YZ -0.04910 0.04466 -0.02188 -0.02378 -0.01358 188 23 H 1S -0.32936 -0.11929 -0.03384 -0.13147 -0.14341 189 2S -0.30796 0.09958 -0.11474 -0.30188 -0.41752 116 117 118 119 120 V V V V V Eigenvalues -- 1.28992 1.31269 1.33084 1.39904 1.41408 1 1 C 1S 0.00791 -0.00144 -0.01521 -0.00646 0.01208 2 2S 0.13601 -0.35001 -0.05958 -0.10734 -0.01607 3 2PX -0.00863 0.12060 0.00122 0.02502 0.00850 4 2PY 0.05658 0.03789 -0.00339 -0.02672 0.10738 5 2PZ 0.02867 -0.07838 0.00372 -0.01399 0.17484 6 3S -0.19330 1.14456 -0.09245 0.30116 1.71097 7 3PX 0.24673 -0.23394 -0.00073 -0.34229 0.53622 8 3PY -0.97821 -0.18345 0.49399 0.37149 -2.07623 9 3PZ -0.09201 0.88396 -0.47023 0.38733 -0.42935 10 4XX 0.01748 0.01950 0.09225 -0.14974 0.07154 11 4YY 0.04110 -0.01368 -0.05413 -0.02237 0.11172 12 4ZZ -0.02873 0.01459 -0.03930 0.16647 -0.11429 13 4XY -0.06255 0.00563 -0.13961 -0.09928 0.19814 14 4XZ 0.01222 0.05973 0.04837 0.11891 -0.03789 15 4YZ 0.02533 0.02510 0.00392 0.05308 -0.04903 16 2 C 1S 0.00263 -0.01024 -0.00823 -0.00264 -0.00230 17 2S 0.05369 0.16834 -0.19258 -0.00609 0.20562 18 2PX -0.01785 -0.09347 0.06303 0.00832 -0.01362 19 2PY 0.03399 0.06121 -0.05548 0.03847 0.04187 20 2PZ -0.03325 0.08228 0.01252 -0.04609 -0.19228 21 3S -0.23815 -0.64489 0.93059 -0.08564 -2.15727 22 3PX -0.07353 0.16324 0.08743 -0.44950 -0.45821 23 3PY -0.70811 -0.54104 0.28675 -0.60484 -1.61847 24 3PZ -0.02744 -0.91599 0.01974 0.63540 0.32627 25 4XX -0.02308 0.00724 0.04702 -0.18353 0.00676 26 4YY -0.02011 -0.02633 -0.00361 -0.01752 -0.09036 27 4ZZ 0.03333 -0.00621 -0.01223 0.19277 0.05164 28 4XY -0.07655 0.05693 0.03931 0.10391 0.21849 29 4XZ -0.01225 -0.02414 0.06698 0.12665 0.08690 30 4YZ 0.02486 0.01084 -0.03049 -0.05998 -0.02558 31 3 C 1S 0.00043 0.01389 0.01581 -0.01068 0.01317 32 2S -0.10786 0.29236 0.32661 -0.08622 0.18106 33 2PX -0.03722 0.05358 -0.07382 0.09720 -0.09311 34 2PY -0.03511 -0.00949 -0.04679 0.04576 -0.03109 35 2PZ -0.13072 0.04433 0.05176 0.07792 -0.14624 36 3S -0.14934 -0.88451 -0.35093 0.34586 -1.61981 37 3PX 0.41686 -0.59769 0.27830 -0.27263 1.10613 38 3PY 0.35805 0.44806 -0.33341 0.16650 0.16872 39 3PZ 0.28029 -0.21785 -0.08618 -0.07113 0.28084 40 4XX -0.04940 0.04429 -0.06761 0.12534 -0.10402 41 4YY -0.01502 0.00496 0.02455 -0.02725 0.00811 42 4ZZ 0.04869 -0.02846 0.08816 -0.10634 0.10335 43 4XY 0.02818 0.03897 0.06834 -0.05703 0.05627 44 4XZ -0.01313 -0.00565 -0.07501 -0.05608 0.11067 45 4YZ -0.01676 -0.01227 -0.02159 -0.16396 0.09286 46 4 H 1S 0.04311 -0.04542 0.10234 -0.07639 0.19607 47 2S 0.02729 0.06988 -0.02498 -0.14877 0.32095 48 5 H 1S -0.08216 0.16776 0.04412 -0.08927 -0.09010 49 2S -0.24208 0.24165 0.05464 0.14161 -0.28788 50 6 C 1S 0.00536 -0.00438 0.02930 -0.02404 -0.00736 51 2S 0.20630 -0.10084 0.57246 -0.28561 -0.04853 52 2PX -0.01153 -0.05070 -0.02062 0.11528 0.00569 53 2PY 0.00024 -0.01858 0.03964 -0.03965 0.02035 54 2PZ 0.13849 -0.01740 0.06240 0.11391 0.16922 55 3S -0.01964 0.46029 -1.50903 1.21589 1.47279 56 3PX -0.27069 0.53045 -0.01138 -0.49873 -0.83848 57 3PY 0.28944 0.61629 -0.07260 -0.06942 0.01543 58 3PZ -0.34716 0.21693 -0.33799 -0.09355 -0.39068 59 4XX 0.05406 -0.04063 -0.00113 0.16243 0.05839 60 4YY 0.02244 -0.00036 0.02824 -0.03814 -0.00824 61 4ZZ -0.03890 0.04032 0.03329 -0.14624 -0.03019 62 4XY 0.03677 0.00515 -0.08937 0.06961 -0.00418 63 4XZ 0.02732 -0.03477 -0.04757 -0.04631 -0.05474 64 4YZ -0.01475 0.01964 0.00977 0.17355 -0.00527 65 7 H 1S -0.01731 0.08675 0.06983 -0.12354 -0.19000 66 2S -0.02780 -0.00956 0.06491 -0.22677 -0.30519 67 8 H 1S 0.09350 -0.10393 0.14469 -0.09251 0.11623 68 2S 0.19504 -0.11981 0.25016 0.14930 0.18291 69 9 H 1S -0.17916 -0.11306 -0.08655 -0.15782 -0.19817 70 2S -0.20141 -0.06274 0.05606 -0.22292 -0.31901 71 10 H 1S 0.29082 -0.05146 -0.18820 -0.14051 0.29733 72 2S 0.37470 -0.11556 -0.08428 -0.18647 0.61796 73 11 C 1S -0.02782 -0.00880 0.00722 0.00062 0.00985 74 2S -0.42149 0.23695 0.05796 0.08212 0.40043 75 2PX 0.00517 0.06596 0.03025 0.10512 0.14962 76 2PY 0.03686 -0.00997 -0.00869 -0.03743 -0.05238 77 2PZ -0.11790 0.13622 0.03869 -0.09095 0.08314 78 3S 1.99179 -0.72431 0.20268 -0.22507 -1.00096 79 3PX -0.50647 0.71291 -0.14489 -0.30501 -0.11753 80 3PY 1.21146 0.65415 -0.05000 0.02210 -0.43611 81 3PZ 0.67326 -1.24704 0.24318 0.33385 -0.36608 82 4XX -0.14901 -0.04102 0.16294 -0.20726 -0.05749 83 4YY 0.01335 -0.00278 -0.00374 -0.02209 -0.01062 84 4ZZ 0.09710 -0.00158 -0.09301 0.24843 0.06772 85 4XY -0.00812 -0.06992 -0.23487 -0.05756 -0.04939 86 4XZ 0.05249 -0.00216 -0.10627 -0.01891 -0.08902 87 4YZ -0.01789 0.00104 -0.02240 -0.07462 -0.03473 88 12 H 1S 0.18390 -0.11188 -0.05163 0.02951 -0.05424 89 2S 0.22595 -0.15268 0.06391 0.18371 -0.10951 90 13 C 1S 0.02223 0.01361 0.01154 0.00065 -0.01203 91 2S 0.27751 -0.10848 0.37805 0.01899 -0.42628 92 2PX -0.07139 -0.00878 0.09094 0.06165 -0.14490 93 2PY -0.00535 0.03700 0.04240 0.04608 -0.07922 94 2PZ 0.10380 -0.08933 0.17405 -0.06042 -0.02634 95 3S -1.76634 0.57820 -0.80137 0.01807 1.22447 96 3PX 0.67533 -0.80030 0.32559 -0.13498 0.21064 97 3PY 1.35577 0.54125 -0.02686 -0.25862 -0.24420 98 3PZ -0.68571 1.21406 -0.77850 0.08915 0.23124 99 4XX 0.09580 0.12256 0.13451 -0.19206 0.07190 100 4YY -0.00730 -0.01451 -0.00561 -0.02416 0.01334 101 4ZZ -0.08172 -0.01895 -0.08637 0.23601 -0.08346 102 4XY -0.04103 0.04670 0.23636 0.06314 0.09234 103 4XZ -0.03780 -0.05241 -0.12161 -0.00727 0.03012 104 4YZ 0.00812 -0.00139 0.02561 0.07790 0.04762 105 14 H 1S -0.19395 0.07902 -0.15800 -0.00705 0.00291 106 2S -0.34578 0.19748 -0.10638 0.14471 -0.05534 107 15 O 1S 0.01875 -0.00268 -0.02195 -0.00657 -0.00639 108 2S 0.08931 0.01071 -0.18703 -0.07258 -0.02131 109 2PX -0.32925 -0.34243 0.18307 0.11190 0.06952 110 2PY -0.00414 0.20657 -0.03376 -0.02584 0.00064 111 2PZ -0.07971 0.22736 0.00070 -0.00575 -0.00030 112 3S -0.90208 0.42566 0.66390 0.19681 0.28405 113 3PX 0.61741 1.23233 -0.58167 -0.37175 -0.14084 114 3PY -0.25401 -0.52233 0.24390 0.13162 0.08879 115 3PZ 0.05209 -0.69085 0.08263 -0.03909 0.00674 116 4XX 0.12556 -0.02926 -0.20196 0.15413 0.03948 117 4YY 0.01244 0.14371 0.10332 -0.04529 0.01269 118 4ZZ -0.01698 -0.11967 -0.10923 -0.17009 -0.08827 119 4XY -0.08437 -0.02566 0.09715 0.08382 0.07826 120 4XZ 0.10563 -0.01311 -0.01137 0.07238 -0.02421 121 4YZ -0.02158 -0.02558 -0.08932 0.11484 0.02468 122 16 O 1S -0.01246 -0.00990 -0.02168 -0.00188 0.00323 123 2S -0.07246 -0.07888 -0.12360 0.01297 0.01432 124 2PX 0.24674 0.46441 0.05241 0.07469 -0.03519 125 2PY 0.02243 0.17728 -0.09612 -0.02950 0.01199 126 2PZ 0.07199 -0.19218 0.13089 0.02791 0.01057 127 3S 0.69436 0.01856 0.91392 0.05722 -0.21334 128 3PX -0.41464 -1.54592 0.05169 -0.19265 0.02847 129 3PY -0.25593 -0.57571 0.06514 0.03711 0.02244 130 3PZ -0.06610 0.65341 -0.29339 -0.13562 -0.02231 131 4XX -0.06931 -0.07418 -0.18813 0.15820 -0.05503 132 4YY -0.05539 -0.05482 0.17340 0.01186 0.04450 133 4ZZ 0.04171 0.03796 -0.15184 -0.16398 0.02845 134 4XY -0.05625 -0.08970 -0.09953 -0.07302 0.04137 135 4XZ -0.09022 -0.01156 -0.06169 0.04488 0.02039 136 4YZ -0.04693 0.01335 0.09046 -0.10716 0.04365 137 17 C 1S -0.00881 0.01222 0.01933 0.01885 0.00041 138 2S -0.14684 0.21128 0.39727 0.21096 0.01359 139 2PX 0.01537 -0.03147 -0.10982 -0.01346 -0.01805 140 2PY -0.06036 -0.19409 0.05688 0.02481 0.00737 141 2PZ 0.01149 -0.01109 -0.00008 -0.00119 -0.00026 142 3S 0.44053 -0.66414 -1.30725 -0.85320 -0.09723 143 3PX -0.01514 0.04096 0.15495 -0.00298 0.04238 144 3PY -0.53049 -1.19892 0.26396 0.10536 0.15425 145 3PZ -0.10961 0.13631 0.33507 0.18071 0.05110 146 4XX -0.03252 0.06722 0.22155 -0.00475 0.03103 147 4YY 0.01920 -0.04858 -0.16186 0.03708 -0.02307 148 4ZZ 0.00026 -0.00224 -0.03032 -0.03395 -0.01091 149 4XY -0.02944 -0.13143 0.03709 0.01792 0.02410 150 4XZ 0.01127 -0.03156 -0.13277 0.10531 -0.01856 151 4YZ 0.13412 0.16142 -0.02547 -0.00052 -0.02620 152 18 H 1S -0.01518 0.01815 -0.00538 0.07414 -0.00512 153 2S -0.02989 0.05801 0.11592 0.10706 0.00060 154 19 H 1S -0.04826 0.07290 0.13864 0.12282 0.01931 155 2S -0.10716 0.16486 0.38795 0.10198 0.04468 156 20 C 1S 0.03016 -0.02576 0.00814 0.00394 -0.05000 157 2S 0.69421 -0.55066 0.03456 -0.02766 -0.90680 158 2PX -0.19686 0.05072 0.01274 -0.06708 -0.09412 159 2PY 0.04659 0.02458 -0.07574 -0.07047 0.03197 160 2PZ 0.04615 0.02058 0.08594 -0.00485 0.09517 161 3S -1.52975 2.22766 -1.26386 -0.44286 5.09274 162 3PX 1.06189 -0.17806 -0.00839 0.22813 0.97751 163 3PY 0.03891 -0.07710 -0.19441 0.67445 2.57696 164 3PZ -1.09908 -0.33381 0.02278 -0.14404 -2.14603 165 4XX -0.07089 0.02681 0.12166 0.06662 0.12084 166 4YY 0.01121 -0.02352 -0.04699 0.02153 -0.00674 167 4ZZ 0.11819 -0.05183 -0.03293 -0.10622 -0.13164 168 4XY -0.03612 0.02227 -0.00922 -0.11526 -0.04505 169 4XZ -0.03553 -0.01096 -0.03538 -0.20540 -0.12910 170 4YZ -0.05273 0.03943 -0.03958 -0.01156 -0.01599 171 21 H 1S 0.42486 -0.14453 0.06426 0.16852 0.33592 172 2S 0.74002 -0.25297 0.11169 0.20316 0.68625 173 22 C 1S -0.03172 0.02365 -0.02632 0.00296 0.04647 174 2S -0.64152 0.39078 -0.64751 -0.05267 0.85831 175 2PX 0.17525 -0.02992 0.05993 -0.03954 0.13516 176 2PY 0.02394 0.07906 0.04775 0.06824 0.01769 177 2PZ -0.04301 0.00958 0.09308 -0.00376 -0.04217 178 3S 1.66284 -2.19621 1.96870 -0.56800 -4.88904 179 3PX -1.04066 0.19277 0.00165 0.10946 -1.02393 180 3PY 0.19577 -0.34930 -0.49341 -0.39715 2.74397 181 3PZ 1.08303 0.16474 -0.60877 -0.04522 2.17373 182 4XX 0.04559 0.05559 0.14980 0.06998 -0.10012 183 4YY -0.00924 -0.00015 -0.05563 0.01980 -0.02743 184 4ZZ -0.10311 0.00317 -0.10280 -0.10939 0.16674 185 4XY 0.02026 -0.00985 -0.01637 0.11707 0.09198 186 4XZ 0.06263 -0.03791 -0.05061 -0.17929 0.17561 187 4YZ -0.04538 0.04041 0.00521 0.01350 0.05401 188 23 H 1S -0.46147 0.21914 0.00961 0.12758 -0.40420 189 2S -0.72246 0.30530 0.00082 0.11169 -0.70491 121 122 123 124 125 V V V V V Eigenvalues -- 1.44163 1.46173 1.48826 1.53265 1.56476 1 1 C 1S -0.01156 -0.04231 0.00967 -0.01508 -0.01856 2 2S -0.06927 -0.56748 -0.03025 -0.08357 -0.38610 3 2PX 0.02613 0.10098 0.10969 0.04860 0.06173 4 2PY 0.07252 -0.02962 -0.01418 -0.03864 0.06858 5 2PZ 0.04368 0.08719 0.01016 0.00498 0.04048 6 3S -0.03582 2.10705 -0.65471 0.16954 1.40583 7 3PX 0.07155 0.20009 -0.04671 -0.68022 0.34177 8 3PY -0.12766 0.05556 0.41884 0.58161 -0.89598 9 3PZ -0.32166 -0.29927 -0.34310 0.53402 -0.26928 10 4XX 0.02213 -0.07373 0.14355 -0.05288 0.03501 11 4YY 0.07335 0.02249 -0.02873 -0.00674 0.01459 12 4ZZ -0.11400 0.01794 -0.09380 0.04952 -0.01775 13 4XY 0.11666 0.23140 0.08864 0.01905 0.08081 14 4XZ -0.09097 -0.12316 -0.05054 0.08427 0.08201 15 4YZ 0.00001 0.15353 -0.02683 -0.01002 0.05079 16 2 C 1S -0.01192 -0.03873 0.00745 -0.01148 0.02475 17 2S -0.14315 -0.35515 0.20031 -0.01848 0.43938 18 2PX 0.04320 0.03032 -0.14702 0.02341 -0.08468 19 2PY -0.09046 0.04733 -0.03698 0.02560 0.05534 20 2PZ 0.08728 0.03843 -0.03547 0.02278 -0.06051 21 3S 0.44381 1.23219 -0.02499 0.03573 -1.58348 22 3PX 0.20123 -0.02626 0.08944 -0.63609 -0.22566 23 3PY 0.51495 -0.51804 0.58352 -0.44170 -0.76798 24 3PZ -0.52609 0.13685 0.28398 0.49185 0.21743 25 4XX 0.06175 -0.18134 -0.05772 0.01714 0.02041 26 4YY 0.08742 0.01851 0.02305 0.00572 -0.01629 27 4ZZ -0.15595 0.10426 0.02769 -0.03501 -0.02998 28 4XY -0.16243 -0.12723 0.15626 -0.05102 0.08987 29 4XZ -0.11557 -0.07954 0.07029 0.02337 -0.08899 30 4YZ 0.01619 -0.15581 0.06402 0.07264 0.09425 31 3 C 1S -0.00121 0.04755 0.00428 -0.00507 0.03432 32 2S -0.17932 0.59140 0.04351 -0.07383 0.43039 33 2PX 0.08978 0.00099 0.01747 -0.03791 0.07356 34 2PY 0.04884 -0.02945 0.02058 0.05858 0.05076 35 2PZ -0.05196 0.00944 0.03283 0.10530 -0.01525 36 3S 0.03965 -2.08808 -0.06648 0.52471 -2.27083 37 3PX -0.07812 0.33337 -0.17944 -0.27679 -0.00453 38 3PY -0.19642 -0.22949 -0.15257 0.26111 0.23690 39 3PZ 0.01779 -0.24901 -0.13572 0.04331 -0.28819 40 4XX -0.03041 0.17397 -0.03536 0.03235 0.04775 41 4YY 0.00363 0.04624 0.00546 0.05014 -0.00462 42 4ZZ 0.03005 -0.16720 0.04002 -0.07973 -0.02211 43 4XY 0.07765 -0.16285 0.03756 -0.15009 0.05039 44 4XZ 0.02494 -0.02306 0.03121 0.11924 0.05464 45 4YZ 0.04842 -0.16387 0.08777 0.04311 -0.01669 46 4 H 1S -0.00544 0.18221 -0.01520 -0.03354 0.06523 47 2S 0.01216 0.21013 -0.01933 -0.12795 0.25720 48 5 H 1S -0.02705 0.18171 0.05386 0.02412 0.12757 49 2S 0.04948 0.14588 0.13533 0.03102 0.25159 50 6 C 1S 0.00826 0.01699 -0.01859 -0.02318 -0.03600 51 2S -0.05472 0.17108 -0.24263 -0.30706 -0.44669 52 2PX 0.07178 0.03928 -0.00883 -0.05201 -0.08376 53 2PY -0.04848 0.03963 -0.01274 -0.04763 0.03584 54 2PZ -0.09031 0.05349 -0.08610 0.07592 -0.03210 55 3S -0.66128 -0.26580 0.48650 1.27606 2.21746 56 3PX 0.18385 -0.18430 0.16414 -0.17828 0.06102 57 3PY 0.15274 0.37391 -0.21636 -0.04072 0.25807 58 3PZ 0.08121 -0.26657 0.33262 0.07971 0.42455 59 4XX -0.06834 0.20739 -0.07566 -0.05981 -0.08931 60 4YY 0.01042 0.02622 -0.01879 0.05838 0.00775 61 4ZZ 0.06784 -0.20957 0.06393 -0.01520 0.05783 62 4XY -0.08651 0.17257 -0.07863 0.15449 0.00592 63 4XZ 0.03405 -0.02932 -0.02832 0.15100 -0.04964 64 4YZ -0.06257 0.19598 -0.01563 -0.08068 -0.04923 65 7 H 1S 0.05748 0.05057 -0.03316 -0.08335 -0.08543 66 2S 0.11442 -0.01676 0.04119 -0.14640 -0.13280 67 8 H 1S -0.02989 0.15028 -0.13538 -0.03864 -0.13887 68 2S 0.01509 0.14239 -0.21114 -0.06264 -0.30018 69 9 H 1S -0.01084 -0.24538 0.09846 -0.15820 -0.04077 70 2S 0.17993 -0.32263 0.24359 -0.16908 -0.08921 71 10 H 1S -0.05440 -0.20454 0.00648 -0.19972 0.09170 72 2S 0.09585 -0.25812 -0.11049 -0.24528 0.16390 73 11 C 1S 0.00896 0.01988 -0.00163 0.01205 -0.01526 74 2S 0.11541 0.36626 0.04309 0.32380 -0.01994 75 2PX 0.08255 0.10665 -0.00770 0.10469 0.03643 76 2PY 0.02157 -0.00946 -0.04136 -0.03498 0.00358 77 2PZ 0.07050 0.06642 0.03757 0.07586 -0.04579 78 3S -0.25307 -1.25809 -0.94160 -0.81669 -0.74821 79 3PX -0.02551 0.01449 0.33218 -0.06395 1.07147 80 3PY 0.18828 -0.02004 -1.00071 0.21464 0.20375 81 3PZ -0.12698 -0.29062 -0.66584 -0.17288 -0.29841 82 4XX -0.17311 0.00663 0.06235 0.03208 0.00494 83 4YY 0.04802 0.05301 -0.02910 0.04852 -0.00132 84 4ZZ 0.11324 -0.08064 -0.05725 -0.11382 -0.08348 85 4XY -0.25321 -0.02771 -0.03806 -0.01061 0.01077 86 4XZ -0.08329 0.00533 -0.01494 -0.02268 0.01525 87 4YZ -0.20664 0.02916 -0.04860 0.04975 0.03411 88 12 H 1S 0.06845 0.10457 -0.20790 0.09613 0.00522 89 2S -0.00908 0.01150 -0.31484 0.09995 0.02296 90 13 C 1S 0.01050 0.01724 -0.00709 0.01265 0.00981 91 2S 0.21549 0.16872 -0.17885 0.31343 -0.07840 92 2PX 0.12576 0.03087 -0.02613 0.10037 -0.05462 93 2PY -0.01214 -0.02304 -0.04011 0.04112 -0.01008 94 2PZ 0.06358 0.07791 -0.07492 0.05844 0.03709 95 3S -0.62108 -0.29020 1.30122 -0.65744 1.03500 96 3PX -0.08334 0.03758 -0.34405 -0.09058 -1.06432 97 3PY 0.00841 -0.52832 -0.90139 -0.37793 0.31330 98 3PZ -0.11466 -0.20727 0.76490 -0.11946 0.33053 99 4XX -0.19495 0.02431 -0.08281 -0.00526 -0.00553 100 4YY 0.03925 0.06341 0.00289 0.04883 -0.01190 101 4ZZ 0.13871 -0.08992 0.10919 -0.07150 0.10125 102 4XY 0.24940 0.02237 -0.05503 0.00437 0.00480 103 4XZ -0.09296 0.03294 0.00674 -0.01751 -0.01528 104 4YZ 0.20190 -0.02944 -0.03249 -0.04169 0.03699 105 14 H 1S 0.06600 0.14868 0.15617 0.09724 -0.02940 106 2S -0.00201 0.02005 0.29722 0.16418 -0.11657 107 15 O 1S 0.00230 -0.00622 -0.02236 0.00527 -0.05103 108 2S 0.06539 -0.07793 -0.33917 0.09324 -0.93436 109 2PX -0.00810 -0.05853 0.03667 -0.02881 -0.08465 110 2PY 0.04279 0.01694 -0.11726 0.02789 -0.15899 111 2PZ 0.11104 0.03376 -0.10485 0.05884 0.10068 112 3S -0.19723 0.21974 1.10290 -0.24577 2.55041 113 3PX 0.14685 0.39240 -0.10083 0.27707 0.34639 114 3PY -0.19507 -0.10246 0.47818 -0.21371 0.54939 115 3PZ -0.40191 -0.19166 0.34880 -0.20984 -0.47820 116 4XX 0.16975 -0.02816 -0.00551 -0.04226 -0.35311 117 4YY 0.04079 -0.07229 -0.16080 0.02072 -0.35065 118 4ZZ -0.17000 0.03398 -0.10370 0.08986 0.01835 119 4XY 0.05495 -0.05986 -0.09138 -0.05373 0.03855 120 4XZ 0.03428 0.02019 0.15575 -0.03538 0.13694 121 4YZ 0.10874 -0.06282 -0.28621 -0.06321 0.17894 122 16 O 1S -0.00290 0.01016 0.02096 0.00694 0.04922 123 2S -0.01277 0.18771 0.30137 0.13366 0.90535 124 2PX 0.01115 -0.08021 -0.01124 -0.02271 0.09851 125 2PY -0.01514 -0.11063 -0.08948 -0.05150 -0.13928 126 2PZ 0.09203 0.08735 0.07854 0.06072 -0.12189 127 3S 0.01736 -0.50936 -1.01126 -0.34219 -2.47152 128 3PX 0.07263 0.49333 -0.09098 0.25802 -0.45277 129 3PY 0.09040 0.44286 0.35474 0.27890 0.44536 130 3PZ -0.35392 -0.33312 -0.22963 -0.23820 0.56696 131 4XX 0.17421 -0.02590 0.02948 -0.01252 0.35215 132 4YY 0.00023 0.06555 0.16143 0.03617 0.33730 133 4ZZ -0.19724 0.10372 0.05208 0.07521 -0.02606 134 4XY -0.06683 0.04792 -0.11672 0.02597 0.03038 135 4XZ 0.05354 -0.07211 -0.13789 -0.05060 -0.12820 136 4YZ -0.10309 -0.02130 -0.30692 0.00436 0.18204 137 17 C 1S -0.01057 -0.02691 0.00640 -0.02121 0.00361 138 2S -0.19210 -0.34740 0.07882 -0.25750 0.04393 139 2PX -0.00346 0.03278 -0.00676 0.01790 -0.00497 140 2PY -0.01487 0.04327 0.10269 0.00627 0.10385 141 2PZ -0.03053 -0.03263 0.00834 -0.03749 0.00389 142 3S 0.73639 1.53347 -0.35239 1.18561 -0.20716 143 3PX 0.29450 0.23923 -0.06224 0.26303 -0.04213 144 3PY -0.07070 0.16610 0.35217 0.00596 0.19791 145 3PZ 0.30442 0.09141 -0.01828 0.15929 -0.00710 146 4XX 0.02769 -0.00900 -0.00108 0.00917 -0.00023 147 4YY 0.05778 0.03474 -0.01146 0.01618 -0.00180 148 4ZZ -0.08902 -0.01840 0.01093 -0.01314 0.00031 149 4XY -0.01657 0.06165 0.22705 0.01302 -0.06803 150 4XZ 0.06774 -0.01562 0.01042 -0.01788 0.00156 151 4YZ -0.00618 0.08277 0.45025 0.03280 -0.21178 152 18 H 1S -0.08096 -0.15777 0.03942 -0.15046 0.02222 153 2S -0.17441 -0.25471 0.05784 -0.21510 0.02793 154 19 H 1S 0.02202 -0.10901 0.02396 -0.06995 0.01359 155 2S 0.02205 -0.10124 0.01887 -0.02489 0.01187 156 20 C 1S 0.00134 -0.00285 0.00048 0.00679 -0.00249 157 2S 0.05684 -0.21245 0.22190 -0.07902 0.14761 158 2PX 0.09451 -0.10118 -0.01476 0.06100 -0.05122 159 2PY 0.03888 -0.07673 0.03197 -0.07582 0.03682 160 2PZ 0.02453 0.13356 -0.10465 0.19080 -0.03748 161 3S -0.04316 0.01542 -0.77087 -0.75347 0.56761 162 3PX -0.27401 0.15317 -0.44419 0.14215 0.32450 163 3PY -0.68819 0.81563 -0.49787 0.35674 0.19395 164 3PZ 0.31794 -0.27903 0.94848 -0.15430 -0.33643 165 4XX -0.15292 -0.02550 0.01419 -0.11479 -0.08655 166 4YY 0.01308 0.00707 0.00586 -0.06669 -0.00118 167 4ZZ 0.15501 0.01179 -0.04325 0.20947 0.06402 168 4XY 0.05851 0.21448 -0.04268 -0.39635 0.02771 169 4XZ 0.20617 0.01782 -0.10290 0.07313 -0.02405 170 4YZ -0.05494 0.00823 0.03293 -0.27265 0.01711 171 21 H 1S -0.20068 0.08459 -0.20191 0.04434 0.02266 172 2S -0.23495 0.27595 -0.37667 0.21952 0.13028 173 22 C 1S -0.00649 0.00610 -0.00115 0.00058 0.00258 174 2S -0.06862 -0.12433 -0.10305 -0.16379 -0.07791 175 2PX 0.05513 -0.02741 0.05238 0.03271 0.06742 176 2PY -0.04561 0.09126 -0.02466 0.05453 0.00841 177 2PZ 0.03209 0.14496 0.01556 0.19076 0.00006 178 3S 0.79490 -0.82671 1.02748 -0.24749 -0.48650 179 3PX -0.07307 -0.02397 0.35947 0.24694 -0.39870 180 3PY 0.11992 -0.16893 -0.13862 -0.75860 0.35909 181 3PZ -0.02621 -0.09915 -0.78921 -0.35129 0.44526 182 4XX -0.13153 -0.04695 -0.02086 -0.06721 0.07368 183 4YY 0.01465 -0.00033 -0.00061 -0.06136 -0.00078 184 4ZZ 0.12647 0.05649 0.04268 0.15923 -0.04876 185 4XY -0.06087 -0.22604 0.00302 0.41866 0.01511 186 4XZ 0.15628 0.11847 0.09461 0.02283 0.04159 187 4YZ 0.04640 0.00995 0.01169 0.25597 0.00359 188 23 H 1S -0.13261 0.05585 0.13453 0.09718 -0.06596 189 2S -0.08987 0.17514 0.20949 0.32178 -0.21579 126 127 128 129 130 V V V V V Eigenvalues -- 1.58308 1.62880 1.64407 1.68080 1.72941 1 1 C 1S -0.05463 0.00338 -0.03961 0.02391 -0.00057 2 2S -0.68747 0.13736 -0.60093 0.19181 0.08144 3 2PX 0.05847 0.06002 0.03120 -0.05229 0.00769 4 2PY -0.01226 -0.03150 0.00400 0.01987 0.05384 5 2PZ 0.08404 -0.11566 0.06160 -0.01642 -0.09505 6 3S 2.14925 -1.66360 3.20564 -1.18490 -0.08615 7 3PX -0.09492 -0.17460 0.03783 -0.20146 0.29838 8 3PY 0.10154 1.21171 -1.15064 -0.09885 -0.45625 9 3PZ -0.75580 0.01709 -0.10961 0.24381 -0.33578 10 4XX 0.12289 0.13414 -0.06259 0.01721 0.05476 11 4YY -0.06669 0.00491 -0.07551 -0.08706 0.02653 12 4ZZ -0.11245 -0.15785 0.15029 0.09525 -0.07202 13 4XY -0.13381 0.13763 -0.13132 0.03059 0.03639 14 4XZ 0.03067 -0.17761 0.23400 -0.00628 0.04178 15 4YZ -0.12749 0.02483 0.00391 0.09696 -0.11632 16 2 C 1S -0.05677 0.00607 0.03328 0.02031 -0.02536 17 2S -0.73598 0.01750 0.48118 0.11830 -0.34527 18 2PX 0.07190 -0.06491 -0.04152 -0.08777 -0.01871 19 2PY 0.02270 -0.00884 -0.03234 -0.01640 -0.14954 20 2PZ 0.09348 0.08484 -0.05938 0.01629 0.01988 21 3S 2.52322 1.05575 -2.73269 -0.07554 1.08748 22 3PX -0.09447 0.10127 0.10210 0.00060 -0.07385 23 3PY -0.03247 0.82731 -0.71421 0.72520 1.16287 24 3PZ -0.78829 0.20073 -0.06781 0.19962 0.28630 25 4XX 0.05174 -0.13344 0.12193 0.03132 0.02574 26 4YY -0.07892 0.02707 0.05131 -0.09251 -0.01175 27 4ZZ -0.02445 0.11942 -0.17938 0.10224 -0.03355 28 4XY 0.18114 0.09166 -0.07939 0.07429 -0.07394 29 4XZ 0.09656 0.14253 -0.20799 0.08599 0.06402 30 4YZ 0.08742 0.06900 0.03637 -0.02789 0.21358 31 3 C 1S 0.02014 0.00799 0.03517 -0.01861 0.05662 32 2S 0.22002 0.07238 0.45369 -0.24720 0.70284 33 2PX 0.06150 0.00477 0.01056 0.01415 -0.13640 34 2PY -0.01374 0.02351 0.00349 -0.06659 0.04287 35 2PZ -0.01394 0.06976 -0.02857 0.04152 0.07366 36 3S -1.06076 0.29545 -2.32178 1.13945 -2.23276 37 3PX 0.29717 -0.64309 0.61047 -0.22844 0.46947 38 3PY -0.52786 -0.05647 0.31752 0.25402 0.38077 39 3PZ -0.20403 -0.21777 -0.13440 0.03765 -0.18125 40 4XX -0.13144 -0.00767 0.01978 0.04041 -0.07291 41 4YY 0.01441 0.03354 -0.02426 -0.03208 0.15891 42 4ZZ 0.14613 -0.02095 0.01440 -0.02514 -0.05006 43 4XY 0.22526 -0.01018 0.01742 -0.16069 -0.09273 44 4XZ -0.02596 -0.04879 0.05454 0.10368 0.12679 45 4YZ 0.04181 0.03803 -0.08515 0.20377 0.03949 46 4 H 1S 0.11333 -0.06348 0.19425 -0.04047 0.21587 47 2S 0.02694 -0.11718 0.16442 -0.17536 0.09453 48 5 H 1S 0.04703 0.17882 0.03621 -0.06810 0.19962 49 2S 0.12339 0.21213 0.01561 -0.05489 0.01308 50 6 C 1S 0.03676 -0.02038 -0.02636 -0.00499 -0.03238 51 2S 0.43571 -0.27477 -0.31396 -0.05854 -0.40773 52 2PX 0.06377 -0.00178 -0.01731 -0.01255 0.02374 53 2PY -0.00165 -0.05539 0.05070 0.05347 -0.01657 54 2PZ -0.00882 -0.08893 0.01817 0.00477 0.06177 55 3S -1.88332 0.26076 1.84146 0.08272 1.19333 56 3PX 0.34279 0.40777 -0.39484 0.11727 -0.05045 57 3PY 0.34943 -0.01622 0.30204 -0.42685 0.34480 58 3PZ -0.19387 0.43461 0.02023 0.04868 -0.38590 59 4XX -0.08593 -0.02455 -0.04602 -0.04443 -0.09186 60 4YY 0.00591 -0.00164 0.01187 -0.03305 0.18023 61 4ZZ 0.12172 0.00745 0.03628 0.06293 -0.10274 62 4XY -0.23591 -0.01085 0.00606 0.12541 0.16926 63 4XZ -0.06130 0.02712 -0.01872 0.11761 0.26659 64 4YZ -0.00762 0.07995 -0.11436 -0.18877 -0.06001 65 7 H 1S 0.17198 0.01362 -0.17021 0.02749 -0.12297 66 2S 0.09140 0.13663 -0.13557 -0.06906 -0.25246 67 8 H 1S 0.07264 -0.19725 -0.02507 -0.06301 -0.08631 68 2S 0.19973 -0.21572 -0.03602 -0.09737 0.01863 69 9 H 1S -0.30743 0.06909 0.07972 0.25271 0.10885 70 2S -0.29792 0.20024 0.04198 0.31041 0.41322 71 10 H 1S -0.28489 -0.10572 -0.03080 0.22952 0.03934 72 2S -0.27571 -0.30633 0.10260 0.17745 0.28151 73 11 C 1S 0.04026 -0.01495 -0.02333 0.00667 0.03305 74 2S 0.50994 -0.26974 -0.19944 -0.11124 0.41165 75 2PX 0.01438 -0.08773 -0.06283 -0.02919 0.10884 76 2PY -0.08640 0.01951 0.09717 -0.06361 0.04989 77 2PZ 0.00245 -0.11073 0.02670 -0.01862 0.01265 78 3S -1.91370 0.97145 0.42934 -0.05987 -1.34963 79 3PX 0.06832 0.01917 0.52031 -0.03723 -0.37694 80 3PY 1.08440 0.00974 -0.88503 0.53737 -0.01293 81 3PZ -0.20687 0.09992 -0.69069 0.35755 0.15622 82 4XX -0.09390 -0.23914 -0.16329 0.11969 0.06520 83 4YY 0.00121 -0.00537 -0.00182 -0.02877 -0.03738 84 4ZZ 0.11832 0.23981 0.11642 -0.04936 0.03549 85 4XY 0.10095 0.05778 0.05759 -0.24591 -0.12041 86 4XZ 0.08490 -0.03502 -0.08097 0.16019 0.13774 87 4YZ 0.10612 -0.07435 -0.12788 -0.14018 0.00542 88 12 H 1S 0.27599 -0.16974 -0.31690 0.21210 0.20922 89 2S 0.41340 -0.04068 -0.62654 0.31410 0.27305 90 13 C 1S 0.04068 0.00134 0.03177 0.00957 0.00172 91 2S 0.55374 0.15974 0.25002 0.00206 -0.01102 92 2PX 0.02961 0.09626 0.04561 0.01629 -0.01155 93 2PY 0.07540 0.00477 0.09467 0.05084 -0.10335 94 2PZ 0.02776 0.09953 -0.02125 0.00755 0.06775 95 3S -2.09768 -0.45721 -0.70930 -0.41764 -0.03864 96 3PX 0.02293 -0.05706 -0.46812 -0.13018 0.69160 97 3PY -0.83652 0.27491 -1.02152 -0.29297 -0.13775 98 3PZ -0.26652 -0.06743 0.63632 0.34017 -0.67086 99 4XX -0.06246 0.22036 0.17194 0.15534 0.04131 100 4YY 0.00620 0.01436 -0.00806 -0.02579 -0.02992 101 4ZZ 0.07792 -0.25217 -0.09266 -0.09737 0.01817 102 4XY -0.10371 0.00256 0.08468 0.23076 0.13261 103 4XZ 0.07001 -0.02700 0.12840 0.14407 0.14156 104 4YZ -0.11341 -0.09006 -0.11219 0.12005 0.11026 105 14 H 1S 0.26815 0.05910 0.37963 0.22367 -0.03721 106 2S 0.34542 -0.06653 0.65587 0.28500 -0.22461 107 15 O 1S 0.00343 -0.00748 -0.00869 0.03926 -0.03500 108 2S 0.01272 -0.06226 -0.04099 0.56520 -0.39975 109 2PX -0.15843 0.01939 0.03418 -0.00928 0.00144 110 2PY 0.14284 0.00457 0.02062 0.14598 -0.01254 111 2PZ 0.17386 -0.08145 -0.07722 0.04596 0.01437 112 3S -0.04790 0.20710 0.31775 -1.87007 1.42570 113 3PX 0.90992 -0.31714 -0.27748 0.34160 0.04951 114 3PY -0.65800 0.16848 0.19071 -0.86852 0.42770 115 3PZ -0.71207 0.19080 0.24991 -0.35933 -0.11083 116 4XX 0.03104 0.23690 0.27280 0.17426 -0.11725 117 4YY -0.05540 -0.09540 -0.18375 0.17862 -0.19564 118 4ZZ 0.03942 -0.19478 -0.14452 0.06901 0.02842 119 4XY -0.02455 0.12329 0.00702 -0.13660 0.00922 120 4XZ 0.02936 0.04041 0.00552 -0.06997 0.19789 121 4YZ 0.10645 0.23183 0.05863 -0.01433 0.00274 122 16 O 1S 0.00512 -0.00038 0.01018 0.04083 -0.04925 123 2S 0.04466 -0.05317 0.06464 0.60513 -0.62709 124 2PX -0.14751 0.01859 -0.05912 0.00938 0.00075 125 2PY -0.13590 0.07049 -0.01495 -0.13767 -0.00197 126 2PZ 0.16128 0.03982 0.10013 0.04379 0.02691 127 3S -0.12847 0.16046 -0.39442 -1.95706 2.26796 128 3PX 0.86930 0.02177 0.44446 0.28891 0.10816 129 3PY 0.63895 -0.14980 0.33707 0.84189 -0.49867 130 3PZ -0.62945 0.03531 -0.37041 -0.29826 -0.20838 131 4XX 0.02762 -0.27148 -0.25894 0.15343 -0.12879 132 4YY -0.04666 0.06084 0.18209 0.18438 -0.31983 133 4ZZ 0.05481 0.17483 0.15113 0.10780 0.00547 134 4XY 0.04923 0.08336 0.01912 0.16076 0.02189 135 4XZ 0.02486 -0.03787 0.01042 -0.09469 0.21315 136 4YZ -0.04557 0.23317 0.04857 0.07955 -0.04783 137 17 C 1S -0.04636 0.01020 -0.00504 -0.03787 0.02340 138 2S -0.53515 0.12154 -0.05667 -0.50189 0.38602 139 2PX 0.09145 -0.02190 0.00983 0.11576 -0.02594 140 2PY -0.00391 0.04479 0.14124 -0.00278 -0.02888 141 2PZ -0.04922 0.01469 -0.00533 -0.08461 0.00033 142 3S 2.74751 -0.63253 0.29529 2.79074 -1.62725 143 3PX 0.45606 -0.13326 0.05618 0.73904 -0.47567 144 3PY -0.01098 0.21630 0.48605 -0.01286 -0.05747 145 3PZ 0.07652 -0.02859 0.01686 0.24494 0.30522 146 4XX -0.01594 0.00612 -0.00280 -0.07885 -0.05601 147 4YY 0.11207 -0.02624 0.01133 0.20295 -0.06516 148 4ZZ -0.05377 0.01380 -0.00497 -0.10229 0.11783 149 4XY -0.01610 0.02149 0.16749 -0.01226 -0.00290 150 4XZ 0.07235 -0.00295 0.00845 -0.02940 0.14737 151 4YZ -0.02974 -0.10617 0.08906 -0.01391 0.00060 152 18 H 1S -0.25333 0.05952 -0.02660 -0.26104 0.05712 153 2S -0.35031 0.08977 -0.04116 -0.44685 0.07509 154 19 H 1S -0.23668 0.03983 -0.02337 -0.07828 0.06422 155 2S -0.20492 0.03103 -0.01542 -0.06240 0.16804 156 20 C 1S -0.00075 0.02038 -0.01938 0.01571 0.00529 157 2S 0.06188 0.47589 -0.34435 0.21684 0.05819 158 2PX -0.04173 0.02875 0.00522 -0.03586 -0.05305 159 2PY 0.01220 0.02444 0.00534 0.02172 0.08308 160 2PZ -0.01195 -0.10706 0.06783 -0.08041 0.10834 161 3S -0.18304 -2.61617 2.35264 -1.01599 -0.90576 162 3PX -0.01183 -0.83990 0.51500 -0.17321 -0.27264 163 3PY -0.02868 -1.23039 0.41654 -0.48555 -0.47307 164 3PZ 0.28998 1.82455 -1.50850 0.65837 0.79095 165 4XX 0.03206 -0.02983 -0.07568 0.12505 0.07067 166 4YY 0.03805 -0.00742 -0.01106 0.05995 -0.12553 167 4ZZ -0.07483 0.00623 0.09108 -0.19478 0.05745 168 4XY 0.00734 -0.11710 0.11945 -0.00589 0.10625 169 4XZ -0.12950 -0.10800 0.14230 -0.14613 -0.19845 170 4YZ -0.02014 0.00904 -0.01108 0.09551 0.02481 171 21 H 1S -0.07023 -0.31350 0.11355 -0.02261 -0.26221 172 2S -0.06985 -0.63612 0.35066 -0.22293 -0.24546 173 22 C 1S -0.00028 -0.02206 0.02028 0.00312 -0.01434 174 2S 0.01448 -0.47562 0.40185 -0.06031 -0.12106 175 2PX -0.02221 0.01767 -0.02912 -0.04071 -0.06463 176 2PY 0.01099 0.02603 -0.02272 -0.02451 -0.11708 177 2PZ 0.01217 0.11245 -0.08917 -0.01540 0.07894 178 3S -0.03398 2.71859 -2.41488 0.59608 0.87405 179 3PX 0.04095 0.83909 -0.58446 0.31112 0.05368 180 3PY 0.04564 -1.26229 0.57741 -0.30760 0.28716 181 3PZ 0.10734 -1.96266 1.71637 -0.40610 -0.32219 182 4XX -0.00242 -0.05444 0.12571 0.11158 0.10359 183 4YY 0.02409 -0.02609 0.02285 0.06706 -0.10611 184 4ZZ -0.02442 0.10890 -0.14986 -0.17111 0.02331 185 4XY -0.03515 -0.02711 0.04447 -0.02760 -0.08354 186 4XZ -0.06682 0.18177 -0.19328 -0.06728 -0.18053 187 4YZ 0.03708 0.05415 -0.04324 -0.08115 -0.03334 188 23 H 1S -0.05622 0.32649 -0.17720 0.15719 -0.16567 189 2S -0.03414 0.65983 -0.44289 0.15011 0.00630 131 132 133 134 135 V V V V V Eigenvalues -- 1.74571 1.75832 1.79168 1.85464 1.87232 1 1 C 1S 0.03005 0.00435 -0.01066 -0.00123 0.00970 2 2S 0.49963 -0.22668 -0.31928 0.04169 0.17995 3 2PX 0.02330 -0.11320 0.03568 -0.07879 0.04646 4 2PY -0.14338 0.08996 0.11597 -0.01805 -0.09451 5 2PZ -0.14404 0.16531 0.04350 -0.04220 0.00689 6 3S -0.86740 0.24032 0.74225 0.43752 -0.29016 7 3PX 0.57280 0.24982 -0.00361 0.37631 -0.18886 8 3PY 0.59663 -0.28943 -0.92827 -0.55496 -0.13124 9 3PZ -0.58118 -0.40194 0.07208 0.39224 0.20176 10 4XX 0.15101 -0.02492 -0.02316 0.19905 0.21697 11 4YY 0.00066 0.02114 0.04473 -0.07659 -0.17702 12 4ZZ -0.10189 0.02807 0.00822 -0.14601 0.01794 13 4XY -0.14016 -0.19318 0.03270 -0.15322 0.14923 14 4XZ 0.03601 -0.11803 0.03475 0.00992 0.17320 15 4YZ 0.02596 0.21761 -0.06054 -0.39661 0.03688 16 2 C 1S -0.01695 -0.00664 -0.00794 0.00404 0.00443 17 2S -0.36581 -0.40564 -0.21854 -0.21366 -0.07519 18 2PX -0.02499 -0.14071 0.03000 -0.01193 0.03969 19 2PY -0.08953 -0.13174 -0.07852 -0.09191 0.00196 20 2PZ 0.09095 0.21160 0.01099 0.05935 0.07334 21 3S 0.58616 0.97702 0.93014 -0.51863 -0.02028 22 3PX -0.49426 0.20227 0.23657 -0.21794 -0.36333 23 3PY 0.38780 0.76817 1.04416 -0.51643 0.02008 24 3PZ 0.72677 -0.11183 0.06170 -0.50573 -0.02427 25 4XX -0.01041 0.01194 0.07691 -0.35946 0.03698 26 4YY -0.03807 0.00533 0.02355 0.13733 -0.03391 27 4ZZ 0.02019 -0.00035 -0.05801 0.19979 0.06837 28 4XY -0.05747 0.23027 0.04324 -0.05764 -0.18202 29 4XZ -0.02441 -0.08597 0.08746 -0.21697 0.09282 30 4YZ 0.04952 -0.11695 0.15791 -0.29978 -0.24846 31 3 C 1S 0.09812 0.02070 -0.00122 -0.00009 -0.01216 32 2S 1.25273 0.43048 -0.01844 0.10480 0.00145 33 2PX -0.15152 0.02775 -0.02251 0.00119 0.01960 34 2PY 0.03970 -0.24427 -0.01954 0.00841 -0.01919 35 2PZ -0.00001 -0.06038 0.00441 0.11033 0.05675 36 3S -4.10746 -1.10306 0.02883 -0.47478 0.21763 37 3PX 0.44669 0.23465 0.27094 -0.62520 -0.15690 38 3PY 0.83501 0.38955 -0.00281 0.13579 0.27869 39 3PZ 0.00955 0.04828 -0.05809 -0.95918 -0.26735 40 4XX -0.08260 0.13096 0.03756 -0.19716 0.07585 41 4YY -0.07629 -0.31219 0.12305 0.13884 -0.07276 42 4ZZ 0.20917 0.16604 -0.16341 0.02711 0.01505 43 4XY 0.17604 -0.22823 -0.20232 -0.02868 0.08271 44 4XZ -0.16247 -0.06648 0.17891 0.20104 0.22455 45 4YZ -0.09158 0.23429 0.05637 0.34938 0.15021 46 4 H 1S 0.30895 0.11212 0.00461 -0.16708 -0.11707 47 2S 0.34202 0.10187 0.04243 -0.28876 -0.12471 48 5 H 1S 0.34016 0.05226 -0.03743 0.26638 -0.13165 49 2S 0.12449 0.00862 -0.09260 0.27989 0.06839 50 6 C 1S -0.10944 -0.01246 0.02096 0.01565 -0.01248 51 2S -1.39373 0.03236 0.31082 -0.18301 -0.21689 52 2PX 0.16822 0.09068 -0.03565 -0.00244 0.04834 53 2PY 0.04341 0.25590 0.00840 -0.03461 -0.00076 54 2PZ -0.07027 -0.05871 0.05837 -0.11594 -0.05325 55 3S 4.46092 0.00985 -1.10488 0.27144 0.61622 56 3PX -0.49051 -0.01931 0.13273 0.49579 0.14939 57 3PY 0.83041 -0.15503 -0.21168 0.24853 -0.03058 58 3PZ 0.16317 -0.20710 -0.50286 1.13226 0.54757 59 4XX 0.05207 0.06430 -0.06793 0.07643 0.15001 60 4YY -0.02560 -0.29336 0.12294 0.07271 -0.10217 61 4ZZ -0.07504 0.19576 -0.05208 -0.14648 -0.01460 62 4XY 0.05496 0.24035 0.14877 0.16841 -0.06916 63 4XZ 0.06887 0.00874 0.21634 -0.24748 0.03423 64 4YZ 0.05870 -0.28547 -0.08655 0.07408 0.03389 65 7 H 1S -0.40317 -0.06845 0.01801 0.36286 0.05653 66 2S -0.27292 -0.06042 -0.07240 0.34571 0.13398 67 8 H 1S -0.38731 -0.01575 0.09736 -0.05978 -0.24996 68 2S -0.18630 0.03550 0.12155 -0.30916 -0.11907 69 9 H 1S 0.08379 0.04277 0.12711 -0.14166 0.04930 70 2S 0.04720 0.19685 0.29759 -0.16083 0.02464 71 10 H 1S -0.04360 0.00062 0.11734 0.13078 0.20655 72 2S -0.13935 0.09422 0.26286 0.14590 0.06988 73 11 C 1S 0.02590 0.01221 0.00296 0.00412 0.01577 74 2S 0.36284 0.16164 0.03038 -0.08281 0.30868 75 2PX 0.09497 0.00694 -0.12001 -0.03046 -0.06478 76 2PY -0.07812 0.03931 0.00842 0.01144 -0.05236 77 2PZ -0.08033 0.01487 -0.01350 -0.00571 0.14762 78 3S -1.27062 -0.34429 0.48767 -0.01480 -0.56893 79 3PX -1.05867 -0.12693 -0.01612 0.23982 0.05531 80 3PY -0.39817 -0.18911 -0.27828 -0.01727 0.02668 81 3PZ 0.84584 -0.09054 -0.03340 -0.33114 -0.24192 82 4XX 0.00049 -0.05668 -0.14242 0.03858 -0.14395 83 4YY -0.00620 0.00678 0.06293 -0.00738 0.10761 84 4ZZ 0.01666 0.06516 0.06495 -0.00882 -0.00214 85 4XY 0.07693 0.04507 0.21241 -0.01830 0.09978 86 4XZ -0.06078 -0.02135 -0.14920 -0.02730 0.13000 87 4YZ 0.13329 0.03246 -0.00554 -0.03427 -0.19959 88 12 H 1S 0.19760 0.00226 -0.13364 -0.05532 0.18649 89 2S 0.42714 -0.07345 -0.10284 -0.12264 -0.04641 90 13 C 1S -0.04102 0.00119 0.01051 -0.00546 0.00828 91 2S -0.61078 0.02381 0.14258 -0.08795 0.27737 92 2PX -0.17600 -0.03076 -0.09365 0.00884 -0.05362 93 2PY -0.00092 -0.06690 -0.01503 -0.01424 0.00118 94 2PZ 0.01738 0.04117 -0.01148 -0.03772 0.14191 95 3S 2.03809 0.09045 0.00286 0.32644 -0.23376 96 3PX 0.90162 0.28690 -0.06282 -0.26142 0.00259 97 3PY -0.33088 0.15421 0.44584 0.10720 -0.09209 98 3PZ -0.48492 -0.42475 -0.10480 0.41312 0.03727 99 4XX -0.02530 -0.05728 -0.14646 0.04046 -0.13480 100 4YY 0.00495 0.01454 0.06579 -0.01701 0.11115 101 4ZZ -0.00761 0.04462 0.06203 -0.01278 -0.02534 102 4XY -0.01430 -0.04131 -0.22467 -0.01301 -0.15446 103 4XZ -0.03099 -0.02123 -0.16037 -0.04430 0.13562 104 4YZ 0.10151 0.01028 -0.00795 -0.01501 0.21474 105 14 H 1S -0.24614 -0.08487 -0.11372 0.01457 0.23586 106 2S -0.43223 -0.27102 -0.11599 0.09594 0.02584 107 15 O 1S 0.03745 -0.01645 0.02752 -0.00342 -0.00442 108 2S 0.54280 -0.25370 0.32281 -0.06953 -0.02950 109 2PX 0.00611 -0.03295 -0.04673 0.00812 -0.03332 110 2PY -0.00159 -0.03214 -0.04891 -0.01359 0.02002 111 2PZ -0.02453 -0.02347 -0.04538 0.01591 -0.04591 112 3S -1.91596 0.79884 -1.24624 0.28337 0.22161 113 3PX -0.06299 0.00303 -0.01724 0.03213 0.02781 114 3PY -0.37018 0.30700 -0.19722 0.04271 0.04660 115 3PZ 0.14208 0.10709 0.25832 -0.06150 0.13297 116 4XX 0.11003 -0.05258 0.07149 0.03370 -0.12986 117 4YY 0.25566 -0.07181 0.25218 -0.02702 0.02214 118 4ZZ 0.00328 -0.04326 -0.11474 -0.05091 0.11167 119 4XY 0.03330 0.06026 0.15996 0.00327 0.12072 120 4XZ -0.14113 0.09099 -0.15149 -0.01438 0.09405 121 4YZ -0.05048 0.02088 0.06121 0.00024 0.08755 122 16 O 1S 0.01879 -0.02212 0.02443 0.01038 -0.00210 123 2S 0.18583 -0.33577 0.30609 0.09958 0.01931 124 2PX -0.00886 -0.02624 -0.04091 0.00142 -0.02604 125 2PY -0.03643 0.02608 0.05086 0.02322 -0.04660 126 2PZ 0.00531 -0.01538 -0.04575 0.00485 -0.03645 127 3S -0.66553 1.12971 -1.13339 -0.49713 0.01999 128 3PX 0.06345 0.01829 -0.01313 -0.12334 -0.06402 129 3PY 0.35951 -0.34002 0.15036 0.02468 0.00668 130 3PZ -0.03540 0.06209 0.26129 0.07253 0.15268 131 4XX 0.07358 -0.06279 0.07965 0.03818 -0.11062 132 4YY 0.09344 -0.12258 0.22593 0.05686 -0.02445 133 4ZZ -0.03210 -0.03996 -0.11429 -0.03084 0.15952 134 4XY 0.03795 -0.04027 -0.15888 0.00480 -0.05599 135 4XZ -0.10558 0.08619 -0.16052 -0.03778 0.04468 136 4YZ -0.03060 -0.02561 -0.04849 0.02993 -0.07443 137 17 C 1S -0.01978 0.01114 -0.03401 0.00165 -0.01100 138 2S -0.30423 0.18325 -0.49818 0.00032 -0.05106 139 2PX 0.02274 -0.02486 -0.06432 0.00266 -0.05361 140 2PY -0.03599 -0.01294 -0.00522 0.01068 -0.00872 141 2PZ -0.01237 0.03702 0.02522 0.00680 -0.00386 142 3S 1.31949 -0.93890 1.47010 -0.03792 0.09199 143 3PX 0.37757 -0.31949 0.40675 0.03465 -0.04954 144 3PY -0.03872 -0.02198 -0.01114 0.01725 -0.01384 145 3PZ -0.17250 -0.09882 -0.66351 0.02357 -0.36884 146 4XX 0.03174 0.03672 0.26937 -0.02168 0.33056 147 4YY 0.06062 -0.09838 -0.13363 0.04455 -0.36989 148 4ZZ -0.08595 0.04899 -0.12692 -0.02931 0.05909 149 4XY 0.02519 -0.00101 -0.00830 0.00056 -0.00391 150 4XZ -0.08219 0.01236 -0.14747 -0.02739 0.00120 151 4YZ 0.01410 0.00002 -0.00002 -0.02838 -0.01222 152 18 H 1S -0.05728 0.08097 0.03199 0.01044 0.02426 153 2S -0.09418 0.14717 0.08150 -0.00232 0.13312 154 19 H 1S -0.06215 0.01254 -0.22477 0.05083 -0.26800 155 2S -0.10780 -0.00959 -0.23034 0.00845 -0.05628 156 20 C 1S 0.01866 0.00245 0.00668 -0.02082 0.00864 157 2S 0.21195 -0.05377 0.06044 -0.14664 0.13641 158 2PX 0.03511 0.01032 -0.06749 0.02121 0.05930 159 2PY -0.01724 -0.10422 0.09329 0.09065 0.00904 160 2PZ -0.01752 0.03379 0.08089 0.01658 -0.09919 161 3S -1.31980 -0.56119 -0.45451 1.42625 -0.25775 162 3PX -0.17476 -0.25800 -0.22010 0.28335 0.02350 163 3PY 0.12841 -0.15054 -0.52969 0.44180 0.22751 164 3PZ 0.84038 0.52102 0.52737 -0.62967 0.09080 165 4XX -0.06285 -0.10992 0.06375 -0.19366 0.17869 166 4YY 0.01383 0.13972 -0.06065 0.16221 0.02878 167 4ZZ 0.03258 -0.03308 0.02856 0.03263 -0.15059 168 4XY 0.03520 0.03269 0.14929 0.02365 -0.03599 169 4XZ 0.08623 -0.01359 -0.19089 -0.02967 0.19520 170 4YZ 0.01470 -0.15821 -0.04607 0.01853 0.03584 171 21 H 1S 0.02022 -0.17662 -0.29100 0.05211 0.19399 172 2S -0.15213 -0.14157 -0.21602 0.18192 0.02880 173 22 C 1S -0.01016 -0.00898 0.00348 0.01081 0.01455 174 2S 0.03368 -0.18107 0.02172 -0.08746 0.03843 175 2PX 0.00598 0.00782 -0.05683 -0.04956 0.01715 176 2PY -0.02303 0.07768 -0.11959 0.09457 0.02038 177 2PZ -0.12065 0.03284 0.09340 0.10325 -0.04084 178 3S 1.11041 0.58726 -0.14857 -0.96330 -0.38310 179 3PX 0.14111 -0.00121 -0.10490 -0.30817 0.04232 180 3PY 0.14873 -0.14561 0.24926 0.60490 -0.05164 181 3PZ -0.70545 -0.18800 0.37203 0.58365 0.01273 182 4XX 0.04600 -0.09919 0.03561 -0.06362 0.26296 183 4YY 0.03199 0.15459 -0.03754 -0.06997 -0.04855 184 4ZZ -0.06531 -0.04313 0.03827 0.07459 -0.17290 185 4XY 0.04378 -0.02854 -0.16677 0.03550 0.07604 186 4XZ 0.05170 0.01436 -0.15597 -0.23518 0.12181 187 4YZ -0.01848 0.15659 0.03398 0.03942 -0.03578 188 23 H 1S 0.08208 -0.08566 -0.23295 -0.24589 0.17552 189 2S 0.08820 0.05381 -0.13141 -0.24323 0.01846 136 137 138 139 140 V V V V V Eigenvalues -- 1.89378 1.90348 1.94451 1.95931 1.96497 1 1 C 1S -0.00486 0.00187 0.00501 -0.02613 0.01860 2 2S -0.13187 -0.04039 0.15460 -0.56593 0.05902 3 2PX -0.02563 0.00590 0.03204 0.00288 -0.03310 4 2PY 0.07088 -0.02219 -0.12624 0.14188 0.01680 5 2PZ -0.01092 -0.03696 0.05352 0.02927 -0.07685 6 3S 0.29644 -0.21489 -0.17375 1.58835 -0.55977 7 3PX 0.06235 0.03571 -0.08237 -0.01400 0.08997 8 3PY -0.05098 0.54285 -0.10193 -0.03696 -0.26544 9 3PZ 0.12710 -0.44567 -0.40676 -0.01676 0.11920 10 4XX 0.00840 -0.22249 0.02897 -0.01576 0.03395 11 4YY 0.12499 0.02457 -0.13045 0.25798 -0.26078 12 4ZZ -0.11872 0.15094 0.15512 -0.19206 0.16100 13 4XY -0.04854 -0.00619 0.20962 -0.08132 -0.02843 14 4XZ -0.05019 -0.19100 0.05683 0.00901 -0.14647 15 4YZ 0.03635 0.10208 0.27145 -0.08035 -0.03044 16 2 C 1S 0.00835 -0.00295 -0.01309 0.02674 -0.02173 17 2S 0.11149 -0.02685 -0.20660 0.25970 -0.49416 18 2PX 0.01549 -0.01544 0.00430 -0.03317 0.01653 19 2PY 0.07510 0.02080 0.03328 0.06985 -0.15327 20 2PZ 0.01117 -0.05879 0.12506 -0.04327 -0.05364 21 3S -0.42582 -0.11823 0.74511 -1.04683 1.24123 22 3PX -0.08764 0.08780 -0.12016 0.03406 0.01153 23 3PY -0.13110 -0.24552 0.33149 0.30416 -0.07534 24 3PZ -0.14254 0.01273 -0.19726 0.10771 0.04326 25 4XX -0.01452 -0.07373 0.04261 0.11394 -0.06450 26 4YY -0.15820 -0.03615 -0.02653 -0.37331 0.21713 27 4ZZ 0.15689 0.04987 0.05485 0.22113 -0.15745 28 4XY -0.06216 0.04646 -0.14106 -0.07032 0.11232 29 4XZ 0.00638 -0.16377 0.05066 -0.09340 -0.03994 30 4YZ 0.01859 0.08254 -0.17622 -0.07324 0.16369 31 3 C 1S 0.00554 0.03535 0.03258 0.00688 0.00662 32 2S -0.08157 -0.05222 0.05213 -0.01859 0.01482 33 2PX 0.05473 0.01015 -0.04504 0.02673 -0.00529 34 2PY 0.04229 0.11091 0.08280 0.08173 -0.10787 35 2PZ -0.01993 -0.02456 0.01374 -0.00993 -0.04589 36 3S -0.03946 -0.52215 -0.63922 -0.20823 -0.07868 37 3PX -0.32955 0.29494 0.56774 -0.18057 0.13764 38 3PY -0.06743 -0.31160 0.02858 -0.46202 0.33462 39 3PZ -0.08936 0.43535 0.19403 -0.16420 0.14228 40 4XX -0.03824 -0.16202 -0.12984 -0.05974 0.01907 41 4YY 0.00537 0.25791 0.30146 0.03275 -0.02595 42 4ZZ 0.04585 -0.08020 -0.14712 0.05123 -0.00492 43 4XY 0.11911 0.03892 0.07065 0.10841 -0.20153 44 4XZ -0.08972 -0.26217 0.04114 -0.14284 -0.06560 45 4YZ 0.01789 -0.00084 0.20546 -0.11740 0.08844 46 4 H 1S -0.02799 0.34000 0.32496 -0.02056 0.08357 47 2S -0.01306 0.17530 0.06641 0.04339 -0.02467 48 5 H 1S 0.07974 0.11774 -0.03037 0.12527 0.03562 49 2S 0.12312 -0.08045 -0.18785 0.17341 -0.14061 50 6 C 1S -0.00219 0.01238 0.01108 0.00792 0.00603 51 2S -0.00095 -0.21916 -0.24590 -0.02846 0.11118 52 2PX -0.02935 0.05547 0.04696 -0.01641 -0.00007 53 2PY 0.01721 -0.08797 -0.10019 0.09049 -0.02646 54 2PZ 0.01840 0.04108 0.00414 -0.03859 0.00794 55 3S 0.10432 0.13838 0.09906 -0.00739 -0.29923 56 3PX 0.23927 -0.36297 0.00004 0.17571 -0.13146 57 3PY -0.02535 0.27925 0.32050 -0.45844 0.32392 58 3PZ 0.16521 -0.28549 -0.00742 0.16370 -0.23651 59 4XX -0.00876 -0.21213 -0.16050 -0.04529 0.01024 60 4YY 0.05119 0.29405 0.31436 0.06746 -0.04123 61 4ZZ -0.04995 -0.07633 -0.12431 -0.02889 0.03723 62 4XY 0.13750 -0.10595 -0.15742 0.24557 -0.08854 63 4XZ 0.07280 -0.13441 0.00167 0.04538 -0.15890 64 4YZ -0.03612 -0.18207 -0.20525 -0.17169 0.09668 65 7 H 1S 0.07803 0.07014 0.17654 0.09415 -0.03671 66 2S 0.01263 -0.13016 -0.03517 -0.05594 0.03069 67 8 H 1S -0.05473 0.19319 -0.00178 0.01469 0.13156 68 2S -0.09257 0.11393 0.01479 -0.17966 0.13813 69 9 H 1S 0.14612 -0.00324 0.06832 0.47703 -0.35486 70 2S -0.05349 -0.10183 0.06238 0.12090 -0.07779 71 10 H 1S -0.12215 -0.09672 0.20702 -0.37935 0.30102 72 2S 0.02830 -0.19485 0.03840 -0.04448 0.08153 73 11 C 1S 0.00506 0.00804 0.00717 -0.01429 0.01071 74 2S 0.09797 -0.02404 0.17576 -0.21306 0.09604 75 2PX -0.00318 -0.07184 0.09368 -0.10021 0.03186 76 2PY 0.20730 -0.02678 -0.00854 -0.09139 -0.11570 77 2PZ 0.03877 0.09511 -0.07304 -0.02937 0.01078 78 3S 0.30464 -0.04815 -0.50448 0.54515 -0.47322 79 3PX 0.10322 -0.13268 -0.19186 0.23525 -0.12597 80 3PY 0.55694 -0.21886 0.02341 -0.10685 0.27997 81 3PZ 0.41633 0.15243 -0.13911 -0.03581 -0.12760 82 4XX 0.00591 0.03894 -0.09593 -0.04291 -0.01309 83 4YY 0.07991 0.00867 0.05510 0.17790 0.15485 84 4ZZ -0.09314 -0.02364 0.00278 -0.13560 -0.20084 85 4XY 0.27137 0.09502 -0.00825 -0.18457 -0.04093 86 4XZ 0.15355 0.04661 -0.16753 0.03385 0.00417 87 4YZ -0.18711 -0.26576 0.29715 0.10226 0.09564 88 12 H 1S 0.38198 0.23366 -0.19913 -0.22617 0.07213 89 2S 0.17043 -0.09734 0.10815 -0.03830 0.06247 90 13 C 1S 0.00114 0.00736 -0.00783 0.01549 -0.01059 91 2S -0.04081 -0.07091 -0.01805 0.22365 -0.23298 92 2PX -0.04947 -0.10015 0.02397 0.06277 -0.10756 93 2PY 0.21132 -0.06038 0.01454 0.08520 0.10112 94 2PZ 0.04020 0.11332 -0.05663 0.00486 -0.01542 95 3S -0.34575 0.29992 0.04610 -0.65799 0.52384 96 3PX -0.10194 0.15771 0.22042 -0.20730 0.16433 97 3PY 0.56344 -0.15441 0.05862 -0.30610 -0.03347 98 3PZ -0.37322 0.03832 -0.41209 -0.14790 0.07908 99 4XX -0.02423 0.04182 -0.09596 -0.06147 -0.00647 100 4YY -0.03754 0.02628 0.07744 0.14400 0.20037 101 4ZZ 0.07048 -0.03513 -0.01026 -0.14567 -0.18889 102 4XY 0.20219 -0.16164 0.09957 0.00247 0.16085 103 4XZ -0.07041 0.11354 -0.16513 -0.00663 0.07955 104 4YZ -0.01768 0.34548 -0.24978 -0.14365 -0.03908 105 14 H 1S -0.21963 0.32406 -0.34773 0.05798 -0.09956 106 2S -0.20461 -0.13722 -0.07205 0.10555 -0.00184 107 15 O 1S -0.01095 0.01264 -0.01676 0.00098 -0.01665 108 2S 0.03030 0.04120 -0.15031 -0.02067 0.01372 109 2PX 0.02432 -0.02638 -0.03024 0.08833 -0.01265 110 2PY 0.18901 -0.04102 0.01299 -0.07080 0.09442 111 2PZ 0.06509 0.02531 -0.03086 -0.18281 -0.09620 112 3S 0.10638 -0.31023 0.60044 0.03031 0.29763 113 3PX -0.16614 -0.17613 0.17763 -0.08789 0.16377 114 3PY -0.25381 0.04084 0.14330 0.15552 -0.08124 115 3PZ -0.09725 0.08773 0.04506 0.37951 0.23251 116 4XX 0.12332 -0.06114 0.02254 -0.09026 -0.04557 117 4YY -0.41431 0.09616 -0.09738 0.16281 -0.10778 118 4ZZ 0.24400 0.03418 -0.04710 -0.05520 0.09732 119 4XY -0.29713 0.10430 -0.00479 0.06804 0.04085 120 4XZ -0.17651 0.03552 -0.00430 0.00355 -0.08769 121 4YZ 0.01108 -0.02909 0.04887 0.24084 0.28711 122 16 O 1S 0.01434 0.00404 -0.01363 -0.02016 0.00171 123 2S 0.00088 -0.00995 -0.21991 -0.00125 0.00770 124 2PX -0.03423 -0.00358 0.00599 -0.02112 0.10072 125 2PY 0.17899 -0.03468 0.05403 -0.11068 0.05330 126 2PZ -0.06543 0.05253 -0.05235 -0.08209 -0.18588 127 3S -0.21196 -0.00111 0.74833 0.38539 -0.05060 128 3PX 0.09194 -0.18090 0.13785 0.20514 -0.11822 129 3PY -0.23626 0.05496 -0.24640 0.08250 -0.09259 130 3PZ 0.15887 -0.01516 0.05129 0.17718 0.40411 131 4XX -0.15884 -0.01368 -0.03118 -0.00992 -0.09035 132 4YY 0.42377 -0.08658 -0.00007 -0.14795 0.13517 133 4ZZ -0.18406 0.11150 -0.09867 0.08145 -0.02117 134 4XY -0.34014 0.03231 -0.02045 -0.00552 -0.03956 135 4XZ 0.18931 -0.02486 0.02726 -0.06693 -0.04862 136 4YZ 0.00237 0.00979 -0.04786 -0.24441 -0.29745 137 17 C 1S -0.00227 -0.00237 0.00933 0.00789 0.01018 138 2S -0.00531 0.03855 0.06156 0.02321 0.03227 139 2PX -0.00960 -0.01773 -0.00948 -0.04005 -0.05087 140 2PY 0.09065 -0.02391 -0.02140 0.06233 -0.06455 141 2PZ 0.00086 0.01298 0.01352 -0.05103 -0.07446 142 3S 0.01641 -0.13831 -0.42877 -0.24385 -0.28104 143 3PX 0.01316 0.07718 -0.25888 -0.27153 -0.27810 144 3PY 0.20182 -0.03290 0.02049 -0.04614 0.05087 145 3PZ -0.07208 -0.06481 -0.07931 -0.57679 -0.68901 146 4XX 0.08878 0.22373 -0.14811 0.09280 0.14889 147 4YY -0.09015 -0.23760 0.13172 0.05572 0.06696 148 4ZZ 0.00394 0.01480 0.00615 -0.16699 -0.23928 149 4XY 0.06662 0.00538 0.04888 -0.13663 0.13341 150 4XZ -0.01612 -0.10624 0.08861 0.19521 0.22878 151 4YZ -0.03493 0.01362 -0.00755 0.04876 -0.04173 152 18 H 1S 0.00470 -0.02099 0.08305 0.33737 0.42882 153 2S 0.02945 0.06862 0.06309 0.16495 0.19200 154 19 H 1S -0.04898 -0.03789 0.02315 -0.24009 -0.29249 155 2S -0.00335 0.04474 -0.06683 -0.14286 -0.14746 156 20 C 1S 0.00168 -0.00716 0.00770 0.00456 -0.00005 157 2S -0.08281 -0.28833 -0.11737 0.01629 -0.04097 158 2PX -0.00797 -0.00056 0.02086 0.01967 0.02545 159 2PY 0.04924 -0.11489 -0.13611 0.16828 -0.06405 160 2PZ 0.03695 0.05488 -0.00107 0.01279 -0.01173 161 3S 0.21375 0.26727 -0.25430 -0.14859 0.01517 162 3PX 0.09785 0.06395 -0.09839 0.14638 -0.09205 163 3PY -0.11414 0.09061 0.11175 -0.32355 0.30682 164 3PZ -0.16688 -0.20152 0.34572 -0.33027 0.14182 165 4XX 0.03114 -0.20374 0.02303 0.12652 -0.04022 166 4YY 0.01345 0.13847 0.21107 0.01794 -0.12987 167 4ZZ -0.06972 -0.01988 -0.23150 -0.15054 0.19299 168 4XY -0.06615 -0.08608 0.01094 -0.10015 -0.06072 169 4XZ -0.05030 -0.12111 -0.01095 0.03950 -0.00804 170 4YZ 0.07418 0.07890 -0.09078 0.22001 0.04881 171 21 H 1S 0.06579 0.05576 -0.02002 0.25538 -0.01283 172 2S -0.01486 0.01763 -0.07728 -0.00959 0.02737 173 22 C 1S -0.00236 -0.01399 0.00167 0.00439 0.00241 174 2S 0.02032 -0.23753 -0.17042 -0.01072 0.06938 175 2PX 0.02075 0.02902 0.01967 0.03761 0.02731 176 2PY 0.06934 0.05845 0.06645 0.13133 -0.17520 177 2PZ -0.03656 0.00177 -0.00481 -0.03702 0.00156 178 3S -0.12443 0.75815 0.39204 -0.19235 -0.31988 179 3PX -0.07412 0.11239 0.07595 -0.20575 0.07274 180 3PY -0.15602 -0.11697 -0.06749 -0.35141 0.35597 181 3PZ 0.10230 -0.36922 -0.16561 0.42927 -0.19661 182 4XX -0.06105 -0.23435 0.07064 -0.03023 0.05920 183 4YY 0.03121 0.21158 0.23459 -0.04600 -0.05485 184 4ZZ 0.03954 -0.04970 -0.29513 0.10747 -0.01574 185 4XY -0.02302 0.09312 0.02904 0.02281 0.10208 186 4XZ 0.03928 -0.08111 0.00533 0.01903 0.01788 187 4YZ 0.03784 -0.09606 0.05318 0.04876 -0.27022 188 23 H 1S -0.01508 0.09392 0.07628 -0.07601 0.22095 189 2S 0.01539 0.03430 0.00687 -0.04147 -0.02929 141 142 143 144 145 V V V V V Eigenvalues -- 1.98897 2.01267 2.01535 2.02277 2.05939 1 1 C 1S -0.00044 0.01649 0.00381 -0.00049 0.00470 2 2S 0.17634 0.25090 0.39911 -0.54700 0.22151 3 2PX 0.05630 -0.13810 0.07213 -0.00537 -0.08589 4 2PY -0.05477 -0.04604 -0.06042 0.17722 -0.04200 5 2PZ -0.08929 0.12562 -0.08637 -0.04659 0.09311 6 3S -0.41059 -0.45550 -1.10148 0.92225 -0.36943 7 3PX -0.17144 0.46452 -0.29787 0.03843 0.07841 8 3PY 0.12518 -0.14632 0.67577 -0.72587 0.19472 9 3PZ -0.05818 -0.02323 0.17829 0.14277 -0.02242 10 4XX -0.07240 0.13354 -0.15203 0.05431 -0.01720 11 4YY -0.06312 -0.05716 0.17203 -0.08890 0.09998 12 4ZZ 0.09602 -0.07200 -0.05410 0.04783 -0.08728 13 4XY 0.16593 -0.18676 0.17240 0.02420 0.02963 14 4XZ 0.07383 -0.14858 0.08360 -0.14233 -0.05632 15 4YZ -0.03132 0.08740 -0.10523 -0.04760 0.09371 16 2 C 1S -0.00244 0.00822 0.01258 -0.00092 0.00442 17 2S -0.21039 0.48074 0.08305 -0.51903 0.22544 18 2PX -0.04279 0.02601 -0.13071 0.01124 -0.08025 19 2PY -0.07357 0.10097 -0.00869 -0.16966 0.04337 20 2PZ 0.05575 -0.02370 0.11073 -0.06200 0.09168 21 3S 0.52951 -1.20246 -0.00756 0.73909 -0.41846 22 3PX 0.19721 -0.12069 0.52920 -0.05468 0.03787 23 3PY 0.11359 -0.75472 0.25176 0.60212 -0.21659 24 3PZ 0.03974 0.01091 -0.09743 0.22408 -0.02681 25 4XX 0.03093 -0.07513 0.09961 0.04486 -0.02406 26 4YY 0.08318 0.16477 -0.02527 -0.08378 0.09744 27 4ZZ -0.09559 -0.09782 -0.07775 0.04866 -0.07921 28 4XY 0.19411 -0.10694 0.25570 -0.05842 -0.04840 29 4XZ -0.09179 0.05227 -0.16995 -0.11884 -0.04831 30 4YZ -0.00790 0.03108 -0.11926 0.07678 -0.09005 31 3 C 1S 0.00298 0.00936 -0.01766 0.01664 -0.00656 32 2S 0.31560 -0.31114 0.16967 -0.03132 -0.18434 33 2PX -0.11763 0.07586 -0.18288 0.07184 0.02525 34 2PY -0.02021 0.02894 0.04021 -0.03668 0.06209 35 2PZ 0.04530 -0.07723 0.07950 -0.04529 -0.00688 36 3S -0.47922 0.15093 0.51637 -0.41787 0.25872 37 3PX 0.52683 -0.45779 0.38972 0.05467 -0.16990 38 3PY 0.22390 -0.02813 -0.03163 0.07746 -0.09066 39 3PZ 0.17788 -0.11302 0.30643 -0.02217 0.11317 40 4XX 0.00403 -0.11973 -0.01711 0.07750 0.01995 41 4YY 0.04551 0.06946 0.12802 0.01414 0.04334 42 4ZZ -0.07960 0.06578 -0.14139 -0.06121 -0.07087 43 4XY -0.09179 -0.01056 -0.12311 -0.10096 -0.00954 44 4XZ 0.11078 -0.19282 0.09019 -0.14052 -0.09714 45 4YZ -0.05757 0.06300 -0.23517 0.12929 0.02540 46 4 H 1S 0.08555 -0.02269 -0.01108 0.14298 0.04109 47 2S 0.12079 -0.14680 0.09619 0.01736 0.00656 48 5 H 1S -0.07022 0.19915 -0.09315 0.03987 0.01013 49 2S -0.16269 0.05804 -0.18542 0.02801 0.02192 50 6 C 1S 0.00023 -0.00569 0.01676 0.00983 -0.00830 51 2S -0.26570 0.09830 -0.25676 -0.04867 -0.18665 52 2PX 0.10535 -0.15212 0.10746 0.05832 0.01545 53 2PY -0.00870 -0.08489 -0.00834 0.04066 -0.05905 54 2PZ -0.04243 0.04168 -0.09327 -0.01615 -0.00935 55 3S 0.36361 0.33802 -0.15254 -0.15243 0.31781 56 3PX -0.43879 0.23834 -0.44414 -0.04666 -0.14240 57 3PY 0.24481 0.11080 0.01555 -0.05333 0.08600 58 3PZ -0.22752 0.28743 -0.24508 -0.06484 0.16846 59 4XX 0.00719 -0.08871 -0.05538 0.07343 0.01914 60 4YY -0.04742 0.15191 -0.02506 0.03691 0.05029 61 4ZZ 0.06792 -0.07819 0.10053 -0.07970 -0.07789 62 4XY -0.12788 0.09297 -0.08993 0.08576 0.01266 63 4XZ -0.16298 0.04566 -0.27220 -0.09974 -0.08439 64 4YZ -0.03859 0.20497 -0.11230 -0.13820 -0.02101 65 7 H 1S -0.08053 -0.00375 -0.03471 0.11177 0.04013 66 2S -0.09807 0.09789 -0.11420 -0.02608 0.03283 67 8 H 1S 0.08649 0.01160 0.21135 0.03883 0.00663 68 2S 0.12946 -0.13883 0.07452 0.04555 -0.01491 69 9 H 1S -0.11750 -0.14376 0.07100 0.11741 -0.04626 70 2S 0.02998 -0.11997 0.09188 0.10998 -0.03926 71 10 H 1S 0.08128 0.12628 -0.14640 0.13036 -0.05133 72 2S -0.04172 0.09994 -0.11477 0.13873 -0.03133 73 11 C 1S 0.00011 -0.00428 0.00140 0.00587 0.00050 74 2S 0.09412 0.22324 -0.08819 0.33442 0.14332 75 2PX -0.05847 -0.17307 -0.13034 0.00138 0.01781 76 2PY 0.06624 0.00065 -0.00172 0.11478 0.21785 77 2PZ 0.01379 0.09541 -0.02950 0.00649 -0.01072 78 3S 0.27916 -0.10684 0.97727 -0.25656 0.01416 79 3PX -0.33000 0.65838 -0.16569 0.02457 -0.09919 80 3PY 0.13531 -0.51082 0.05110 -0.35887 -0.24186 81 3PZ 0.57551 -0.67720 0.62267 -0.28318 0.11401 82 4XX -0.08254 -0.14755 -0.01913 -0.10378 0.35720 83 4YY 0.09602 0.04961 -0.03140 -0.12314 -0.43117 84 4ZZ 0.04461 0.09292 0.13232 0.20921 0.13341 85 4XY 0.06450 -0.09386 -0.03812 -0.00326 0.02900 86 4XZ 0.14540 0.19972 0.34262 -0.10857 -0.04758 87 4YZ -0.04347 0.10164 0.18132 0.13259 -0.07838 88 12 H 1S 0.17070 -0.29504 -0.04258 -0.23326 0.08757 89 2S 0.15287 -0.34372 0.08395 -0.07085 -0.02410 90 13 C 1S -0.00044 0.00041 -0.00442 0.00610 0.00026 91 2S -0.14586 -0.02770 0.23606 0.28605 0.12771 92 2PX 0.05415 -0.17131 -0.14168 -0.00667 0.01627 93 2PY 0.07833 0.01474 -0.01530 -0.11415 -0.21764 94 2PZ -0.01177 -0.00965 0.09685 -0.00255 -0.01836 95 3S -0.23263 0.83363 -0.36964 -0.12121 0.08709 96 3PX 0.33103 0.01389 0.69842 0.02971 -0.12119 97 3PY 0.11558 0.11465 0.60135 0.31514 0.21475 98 3PZ -0.56199 0.43683 -0.80726 -0.23170 0.17439 99 4XX 0.10294 -0.06220 -0.12011 -0.09289 0.36001 100 4YY -0.07718 0.00779 0.03317 -0.12445 -0.43458 101 4ZZ -0.08193 0.12899 0.06434 0.21092 0.13877 102 4XY 0.07365 0.05897 0.07906 0.01213 -0.02674 103 4XZ -0.14860 0.38003 0.09597 -0.08022 -0.03403 104 4YZ -0.03103 -0.20790 -0.05151 -0.14251 0.06207 105 14 H 1S -0.14324 -0.13225 -0.28686 -0.22470 0.09506 106 2S -0.17492 0.02471 -0.37254 -0.06944 -0.00938 107 15 O 1S 0.02335 -0.00410 -0.00267 -0.00105 0.02091 108 2S -0.04669 0.18887 0.58204 0.18242 0.14258 109 2PX 0.22075 0.15786 0.01422 -0.06181 -0.18497 110 2PY -0.16570 -0.02638 0.20088 0.02612 0.01401 111 2PZ -0.10638 -0.10544 -0.08213 0.04743 0.00500 112 3S -0.42740 -0.18358 -1.31588 -0.34271 -0.61751 113 3PX -0.39508 -0.04746 -0.08266 0.16710 0.33575 114 3PY 0.06521 0.01958 -0.37386 -0.05072 -0.21645 115 3PZ 0.19389 0.08951 0.16457 -0.15005 0.14036 116 4XX 0.01412 -0.02898 0.05529 0.02010 -0.03572 117 4YY 0.08358 0.13980 0.10519 0.08211 0.04992 118 4ZZ -0.06398 -0.05654 0.07849 -0.04984 0.08671 119 4XY -0.25170 -0.00608 0.07511 0.06884 0.16922 120 4XZ -0.09955 0.11960 0.13623 0.08515 -0.10746 121 4YZ 0.09122 0.01097 -0.05371 -0.16406 0.14171 122 16 O 1S -0.02338 -0.00406 -0.00170 -0.00285 0.02105 123 2S 0.02895 0.58463 0.06197 0.21943 0.16250 124 2PX -0.21688 0.05974 0.14458 -0.07379 -0.18351 125 2PY -0.16466 -0.17496 0.08443 -0.05737 -0.02153 126 2PZ 0.09350 -0.11826 -0.07185 0.04717 0.00263 127 3S 0.46441 -1.25274 0.07257 -0.39571 -0.67325 128 3PX 0.38562 -0.10477 -0.02472 0.17652 0.32236 129 3PY 0.06336 0.31605 -0.11067 0.09295 0.22926 130 3PZ -0.15721 0.20797 0.03083 -0.15052 0.15122 131 4XX -0.02868 0.04882 -0.04874 0.02555 -0.03363 132 4YY -0.09175 0.13883 0.12881 0.06905 0.05677 133 4ZZ 0.07806 0.04950 -0.07631 -0.02947 0.08613 134 4XY -0.25491 -0.07888 0.00612 -0.08269 -0.16748 135 4XZ 0.06597 0.17152 0.07111 0.09501 -0.10956 136 4YZ 0.04497 0.04407 -0.01348 0.17346 -0.14027 137 17 C 1S 0.00170 -0.03057 -0.02603 -0.03113 -0.02113 138 2S 0.00982 -0.21592 -0.18211 -0.15835 0.06638 139 2PX -0.00531 0.04724 0.03888 0.05257 0.11779 140 2PY 0.28326 0.11006 -0.14670 0.01481 0.00447 141 2PZ -0.00417 0.03726 0.02004 0.00852 -0.13635 142 3S -0.05348 1.00137 0.86497 0.99400 0.79658 143 3PX -0.01927 0.16815 0.15399 0.15677 -0.28798 144 3PY -0.16926 -0.05084 0.07219 -0.01179 0.00338 145 3PZ -0.04432 -0.33502 -0.24618 0.30460 -0.56782 146 4XX 0.01327 0.08918 0.06918 -0.11581 0.06187 147 4YY 0.00606 -0.18003 -0.14174 -0.18787 0.03776 148 4ZZ -0.02207 0.09028 0.07633 0.35828 -0.07825 149 4XY -0.58761 -0.19969 0.26192 -0.02913 -0.00844 150 4XZ 0.00738 -0.02081 0.00030 0.06945 0.43718 151 4YZ 0.23614 0.08368 -0.12219 0.00942 0.00448 152 18 H 1S 0.03880 -0.12029 -0.10887 -0.42189 0.21798 153 2S 0.01405 0.03264 0.01291 -0.14691 0.01789 154 19 H 1S -0.01398 -0.17321 -0.15147 -0.10539 -0.51666 155 2S -0.00433 -0.15474 -0.11377 0.01574 -0.20067 156 20 C 1S 0.00446 -0.01389 0.00205 0.01097 0.00445 157 2S 0.16647 -0.31915 0.34446 0.03076 0.12928 158 2PX 0.02962 -0.00969 0.03111 0.05211 0.02277 159 2PY -0.01630 -0.10494 0.06288 0.13330 0.01637 160 2PZ -0.06753 0.06561 -0.10556 -0.00244 -0.02253 161 3S -0.59441 1.48954 -0.96923 -0.41462 0.04795 162 3PX -0.16443 0.10358 -0.21165 -0.02636 -0.03335 163 3PY -0.12710 0.46685 -0.58846 -0.05811 -0.00935 164 3PZ 0.42584 -0.54311 0.47297 0.05775 0.04807 165 4XX -0.03004 -0.04123 -0.00338 0.15900 0.13885 166 4YY 0.02315 -0.00480 0.05655 -0.17464 -0.06703 167 4ZZ 0.01739 0.05503 -0.06171 0.05235 -0.04121 168 4XY 0.07383 0.01504 0.08666 -0.18606 0.00212 169 4XZ 0.00438 -0.01920 0.02508 0.10519 -0.00664 170 4YZ 0.01352 -0.25307 -0.02026 0.31352 -0.15758 171 21 H 1S -0.04121 -0.15887 -0.05294 0.28217 -0.08436 172 2S -0.10728 0.13636 -0.17625 -0.07058 0.00775 173 22 C 1S -0.00628 0.00030 -0.01305 0.01187 0.00490 174 2S -0.17693 0.21679 -0.37479 0.10569 0.14653 175 2PX -0.02953 0.02476 -0.01995 0.06248 0.02455 176 2PY -0.02236 -0.01223 0.07323 -0.14695 -0.01307 177 2PZ 0.06856 -0.06215 0.10992 -0.02944 -0.02884 178 3S 0.60794 -0.66147 1.49461 -0.66947 -0.01477 179 3PX 0.17595 -0.21343 0.15118 -0.09375 -0.05233 180 3PY -0.11763 0.48773 -0.51816 0.19151 0.03043 181 3PZ -0.46724 0.40216 -0.63972 0.20057 0.08663 182 4XX 0.00515 -0.03040 -0.02282 0.15175 0.13795 183 4YY -0.03797 0.09459 -0.11173 -0.14341 -0.07129 184 4ZZ 0.01602 -0.08728 0.14207 0.02520 -0.03643 185 4XY 0.08374 -0.09673 0.02570 0.17445 -0.00612 186 4XZ -0.01238 0.00541 -0.02970 0.11746 -0.00912 187 4YZ -0.02976 0.11886 0.16542 -0.32961 0.15748 188 23 H 1S 0.05866 -0.11631 -0.11225 0.27780 -0.09026 189 2S 0.11875 -0.16980 0.16956 -0.12149 -0.00208 146 147 148 149 150 V V V V V Eigenvalues -- 2.07651 2.09965 2.11251 2.18105 2.18364 1 1 C 1S 0.01003 0.02817 -0.00754 -0.00543 0.01085 2 2S 0.18681 0.40998 -0.07812 0.06421 0.20730 3 2PX 0.10391 -0.06157 0.05682 0.04324 -0.06723 4 2PY -0.00026 0.05461 -0.02001 -0.03135 -0.03914 5 2PZ -0.17377 -0.10120 -0.07719 -0.05480 0.10128 6 3S -0.86081 -1.65174 0.16917 0.03797 -0.31953 7 3PX -0.21629 0.28618 0.11546 -0.05067 0.17993 8 3PY 0.69639 0.47197 -0.39570 0.08222 0.17854 9 3PZ -0.28708 0.29220 0.19419 0.10993 -0.15544 10 4XX -0.33595 -0.27684 0.11096 0.01300 0.09173 11 4YY 0.19909 0.16612 -0.19571 0.02872 -0.00643 12 4ZZ 0.07717 0.02839 0.11386 -0.05587 -0.09394 13 4XY 0.17145 -0.07597 -0.03703 0.00702 -0.16179 14 4XZ 0.07901 -0.21570 0.08984 -0.03887 0.00871 15 4YZ 0.15742 -0.26702 -0.10699 -0.06218 -0.02087 16 2 C 1S 0.01154 -0.02407 -0.00077 0.01345 0.00612 17 2S 0.14038 -0.34787 0.10937 0.09915 0.17729 18 2PX 0.06248 0.10400 0.05773 -0.07061 -0.03307 19 2PY -0.05117 0.05045 0.04432 -0.00724 0.04296 20 2PZ -0.17306 0.02621 -0.11535 0.09268 0.05632 21 3S -0.88462 1.33188 -0.07714 -0.36589 -0.34106 22 3PX -0.17767 -0.35694 0.30529 0.12780 0.07021 23 3PY -0.30572 0.35168 0.05398 -0.04100 -0.16126 24 3PZ 0.05087 -0.30005 0.00895 -0.16256 0.00196 25 4XX -0.35316 0.17698 0.02441 0.05003 0.10154 26 4YY 0.15492 -0.12177 -0.06597 -0.03924 -0.03929 27 4ZZ 0.11910 0.01125 0.05677 -0.01013 -0.07745 28 4XY -0.17598 -0.14018 0.11891 0.09331 0.09664 29 4XZ -0.00068 0.26144 0.04279 0.05383 -0.02052 30 4YZ 0.03186 -0.28350 0.03777 -0.01855 0.10184 31 3 C 1S -0.01142 -0.01697 0.00282 0.01100 -0.00563 32 2S 0.37857 0.02278 0.01889 0.24252 -0.21692 33 2PX -0.08256 -0.05545 0.01723 -0.05603 0.03342 34 2PY -0.06325 -0.05803 -0.02938 0.00137 0.04534 35 2PZ 0.11714 0.04742 -0.04655 0.01707 -0.00569 36 3S 0.02272 0.77842 -0.11447 -0.60161 0.33552 37 3PX 0.32379 -0.19380 -0.31042 0.31877 -0.05878 38 3PY 0.14957 -0.06285 0.05664 0.22292 -0.17695 39 3PZ 0.03428 0.10615 -0.27586 0.01699 0.08116 40 4XX 0.05812 0.01802 -0.27344 0.07223 0.21555 41 4YY -0.27532 0.02772 0.05582 0.02833 0.00198 42 4ZZ 0.15755 -0.07352 0.23941 -0.13135 -0.19536 43 4XY 0.35121 -0.15180 -0.15758 -0.04909 0.06877 44 4XZ 0.16295 -0.05882 0.21152 0.02933 -0.10315 45 4YZ 0.17997 -0.07579 -0.26774 -0.05509 0.06884 46 4 H 1S 0.04136 -0.02633 -0.37408 0.09404 0.13540 47 2S 0.00072 -0.02299 -0.00688 0.04207 -0.03385 48 5 H 1S -0.27872 0.02148 0.25649 -0.03674 -0.13056 49 2S -0.06189 -0.06403 0.11374 -0.08735 0.00860 50 6 C 1S -0.02774 0.00862 0.01603 -0.01611 0.00006 51 2S 0.28513 0.10652 0.10992 -0.31100 -0.03082 52 2PX -0.07752 0.03391 -0.01318 0.05683 -0.00616 53 2PY 0.11029 -0.02417 -0.00624 -0.01360 -0.01923 54 2PZ 0.10406 -0.00642 -0.02385 -0.01091 -0.00449 55 3S 0.37590 -0.70430 -0.33966 0.75333 -0.05007 56 3PX 0.22765 0.24231 0.00932 -0.29539 -0.00884 57 3PY -0.21799 -0.15251 -0.00677 0.25209 0.00262 58 3PZ 0.24745 -0.14007 -0.56104 0.10764 0.25977 59 4XX 0.09695 -0.04395 -0.29148 0.10494 0.22041 60 4YY -0.20497 -0.12118 0.00496 -0.03045 0.05039 61 4ZZ 0.02880 0.16836 0.31839 -0.04541 -0.27607 62 4XY -0.17608 -0.21623 0.17011 -0.11478 -0.03607 63 4XZ 0.15869 0.16009 0.16734 -0.08536 -0.07478 64 4YZ -0.12875 -0.08510 0.31113 -0.09377 -0.01852 65 7 H 1S 0.06165 -0.03956 -0.39087 0.01960 0.20599 66 2S 0.01756 0.00333 -0.08931 -0.02927 0.06081 67 8 H 1S -0.31526 -0.11349 0.25477 -0.08394 -0.08581 68 2S -0.09743 0.08504 0.05769 0.05630 -0.03179 69 9 H 1S -0.05222 0.05875 0.07481 0.03683 0.00424 70 2S -0.07873 -0.09288 0.06229 0.03836 -0.02404 71 10 H 1S -0.16196 -0.06230 0.21401 -0.03861 -0.02594 72 2S -0.22759 0.05839 0.11039 -0.04126 -0.00155 73 11 C 1S -0.00709 0.02740 -0.01112 -0.03747 -0.01816 74 2S -0.07440 0.75922 -0.06926 -0.65423 -0.44066 75 2PX -0.11110 0.10900 0.01467 0.16495 -0.00855 76 2PY 0.01397 -0.02066 0.03711 -0.03939 -0.20870 77 2PZ 0.01577 0.09764 -0.00161 -0.21160 -0.01634 78 3S 0.42195 -2.84573 0.56546 2.01535 -0.01677 79 3PX 0.26900 0.04846 -0.09119 -1.02134 0.08127 80 3PY -0.17968 -0.71740 0.03580 1.12125 0.04321 81 3PZ -0.06762 -1.05995 0.14835 1.28771 0.12498 82 4XX 0.01297 -0.16574 0.00608 0.00190 -0.16851 83 4YY -0.02186 -0.00802 -0.04745 0.08194 0.22930 84 4ZZ 0.02861 0.04355 0.03458 -0.12200 -0.05213 85 4XY -0.07651 0.13399 -0.07772 -0.19831 -0.00714 86 4XZ 0.02451 -0.18660 -0.08778 -0.45301 -0.00248 87 4YZ 0.10390 0.09417 -0.03738 -0.18094 -0.03942 88 12 H 1S -0.17843 -0.04572 -0.02663 0.16364 0.00407 89 2S -0.11528 -0.15565 -0.01207 0.52884 0.04566 90 13 C 1S -0.00391 -0.03045 -0.00350 0.01656 -0.03719 91 2S 0.07097 -0.75718 0.12415 0.21050 -0.75304 92 2PX -0.07084 -0.12069 0.05024 -0.13237 0.09831 93 2PY -0.01176 -0.02486 -0.03173 0.09959 0.19037 94 2PZ 0.03961 -0.09049 0.00833 0.15518 -0.14509 95 3S 0.06171 2.92033 -0.25096 -1.53299 1.26561 96 3PX 0.22844 -0.01159 -0.18053 0.85526 -0.57231 97 3PY 0.12739 -0.69818 0.24870 0.85133 -0.80130 98 3PZ -0.21601 1.01877 -0.05620 -0.90092 0.89528 99 4XX -0.03060 0.15696 -0.02161 -0.11662 -0.13181 100 4YY -0.02023 -0.00358 -0.04537 0.08588 0.22172 101 4ZZ 0.04067 -0.03044 0.02484 0.06488 -0.10740 102 4XY 0.04978 0.15629 0.02611 -0.14153 0.15242 103 4XZ 0.00468 0.15649 -0.18584 0.34369 -0.27544 104 4YZ -0.11432 0.07249 -0.00248 -0.10817 0.16759 105 14 H 1S -0.15145 -0.00136 -0.04482 -0.12665 0.11661 106 2S -0.12168 0.13160 -0.02957 -0.38881 0.38134 107 15 O 1S -0.00417 -0.00945 -0.00397 0.01375 -0.02075 108 2S 0.25797 -0.29113 0.17188 -0.08495 0.17234 109 2PX 0.03366 -0.08677 -0.08478 -0.12801 -0.00655 110 2PY 0.04258 -0.02524 0.09262 -0.05419 0.14113 111 2PZ -0.01951 -0.00976 0.01664 0.14272 -0.00362 112 3S -0.42223 1.05310 -0.27249 -0.57782 0.14672 113 3PX -0.04199 0.46296 0.03573 -0.18885 -0.18441 114 3PY -0.06997 0.16617 -0.10333 -0.03627 -0.01835 115 3PZ 0.05189 -0.03814 0.06085 -0.13502 0.06284 116 4XX -0.09238 -0.07217 -0.09081 0.09753 -0.23677 117 4YY 0.09975 -0.11055 0.02948 -0.02710 0.03291 118 4ZZ 0.05364 0.05069 0.09620 -0.06963 0.18508 119 4XY 0.07426 0.03358 0.07034 -0.12897 0.03628 120 4XZ -0.02228 0.04536 -0.03160 -0.21251 -0.09014 121 4YZ 0.03261 0.11636 0.00912 -0.23585 0.13915 122 16 O 1S -0.00666 0.00701 -0.00203 -0.02505 -0.00833 123 2S 0.20499 0.36698 0.07409 0.17969 0.07412 124 2PX 0.00741 0.07428 -0.10789 0.09681 -0.08491 125 2PY -0.05870 -0.05082 -0.04998 -0.13398 -0.08200 126 2PZ -0.01501 0.01315 0.01344 -0.11269 0.08899 127 3S -0.23349 -1.14353 -0.06198 0.55228 -0.22490 128 3PX 0.06590 -0.44871 0.12640 0.02390 -0.25627 129 3PY 0.08842 0.19082 0.01333 -0.01887 0.04562 130 3PZ 0.02012 0.05191 0.08417 0.13504 -0.05749 131 4XX -0.10218 0.02291 -0.08906 -0.24220 -0.11354 132 4YY 0.05497 0.12731 0.02020 0.04837 -0.00192 133 4ZZ 0.08422 -0.00762 0.07273 0.17725 0.09791 134 4XY -0.05751 0.00418 -0.08787 -0.12225 0.06826 135 4XZ -0.01206 -0.06448 -0.03968 0.09543 -0.19379 136 4YZ -0.03785 0.10550 -0.05171 -0.26999 0.05905 137 17 C 1S -0.01902 -0.00246 -0.00433 0.01035 0.02882 138 2S -0.03179 0.02002 0.21309 0.15000 0.40611 139 2PX 0.05311 0.01405 0.08067 0.00125 0.00129 140 2PY 0.00558 0.03377 -0.01378 0.05203 -0.01752 141 2PZ -0.01797 -0.00556 -0.03812 -0.00262 -0.00817 142 3S 0.52672 0.04977 -0.02170 -0.36924 -1.00875 143 3PX -0.08126 -0.05170 -0.40877 -0.23273 -0.61995 144 3PY 0.01136 -0.09284 0.01589 0.01949 -0.01475 145 3PZ -0.25885 -0.03189 -0.06401 0.14036 0.40273 146 4XX 0.00094 -0.01333 -0.11212 -0.12803 -0.34417 147 4YY -0.11819 -0.03575 -0.17862 -0.09026 -0.26312 148 4ZZ 0.11897 0.04945 0.29316 0.21850 0.60920 149 4XY -0.01142 0.02154 0.00958 -0.20244 0.07240 150 4XZ 0.14721 0.04146 0.25057 0.07244 0.20031 151 4YZ -0.00644 0.23747 -0.05618 -0.41823 0.16029 152 18 H 1S -0.04833 -0.01833 -0.11130 -0.10723 -0.29278 153 2S 0.04529 0.00805 0.02829 0.01011 0.01925 154 19 H 1S -0.23319 -0.04920 -0.24216 -0.02232 -0.05319 155 2S -0.11776 -0.02158 -0.09446 0.01781 0.05876 156 20 C 1S -0.02334 -0.00273 -0.00867 0.01301 0.00162 157 2S -0.37064 0.19269 -0.34237 0.27041 0.13420 158 2PX -0.00667 0.02586 -0.01391 -0.00357 -0.01514 159 2PY -0.08751 0.02006 -0.14548 0.01273 0.03855 160 2PZ 0.09136 -0.13171 0.01919 -0.07111 -0.00370 161 3S 0.59494 -0.78416 0.46107 -0.58164 0.19958 162 3PX 0.08273 -0.02827 0.00300 -0.05292 -0.01949 163 3PY -0.07927 -0.08338 0.27535 -0.42723 -0.05877 164 3PZ -0.38900 0.29177 -0.23655 0.22554 0.09714 165 4XX -0.26035 0.02041 -0.22503 -0.00121 -0.00437 166 4YY -0.00216 0.13288 0.29643 0.01527 -0.04303 167 4ZZ 0.20585 -0.11697 -0.10243 -0.01304 0.02599 168 4XY 0.01881 -0.05639 0.03268 -0.05453 0.10564 169 4XZ -0.23873 0.20164 0.10311 -0.01253 -0.08253 170 4YZ 0.13381 -0.00698 0.09034 -0.05509 -0.13005 171 21 H 1S -0.09279 0.14698 0.09892 -0.04170 -0.17012 172 2S 0.06280 -0.04632 0.04103 -0.07740 -0.01559 173 22 C 1S -0.02838 -0.00741 -0.00339 -0.01142 0.00920 174 2S -0.30428 -0.35840 -0.31486 -0.14120 0.28871 175 2PX -0.00005 -0.02968 -0.01816 -0.00525 -0.01151 176 2PY 0.07677 0.07232 0.12733 -0.00171 -0.03258 177 2PZ -0.00100 0.15006 0.05689 0.04369 -0.06717 178 3S 1.10383 1.09102 -0.17367 0.66024 -0.14612 179 3PX 0.24280 0.08546 -0.06424 0.03576 -0.04816 180 3PY -0.11899 -0.11662 -0.09714 -0.31489 0.23700 181 3PZ -0.66714 -0.48765 0.00135 -0.14669 0.22534 182 4XX -0.20535 -0.13936 -0.23335 -0.02226 0.01824 183 4YY 0.06651 -0.06708 0.27763 -0.02326 -0.01913 184 4ZZ 0.13250 0.15087 -0.09923 0.03270 0.00064 185 4XY 0.01723 -0.06005 -0.03116 -0.11046 -0.04138 186 4XZ -0.16035 -0.25650 0.12965 -0.05335 -0.06592 187 4YZ -0.10240 -0.07115 -0.10958 0.03797 0.16296 188 23 H 1S -0.01007 -0.14764 0.11678 -0.08236 -0.15947 189 2S 0.17088 0.08714 -0.03589 0.06014 -0.04325 151 152 153 154 155 V V V V V Eigenvalues -- 2.23822 2.26046 2.27737 2.28229 2.31430 1 1 C 1S -0.00024 0.00067 -0.00342 -0.03258 0.00599 2 2S -0.38616 -0.05652 -0.22339 -0.32085 0.33171 3 2PX -0.01440 -0.03525 -0.00110 0.00873 -0.00368 4 2PY 0.11215 -0.01191 0.04574 -0.00058 -0.04943 5 2PZ 0.00979 0.06278 0.03997 0.08900 -0.01857 6 3S 0.96966 0.05380 0.87335 2.46737 -0.81806 7 3PX 0.38369 -0.40302 0.00068 0.38831 0.24479 8 3PY -0.85523 0.39739 -0.58975 -1.40011 0.43378 9 3PZ 0.16553 -0.05172 0.00387 0.06605 0.23100 10 4XX 0.16639 -0.21196 0.16743 0.32138 -0.27748 11 4YY -0.18596 0.28713 0.06777 -0.08819 -0.01397 12 4ZZ 0.06863 -0.06704 -0.16999 -0.17388 0.23801 13 4XY -0.16743 0.23259 0.12347 -0.11894 -0.38971 14 4XZ 0.02845 -0.04353 -0.06547 0.03582 0.27696 15 4YZ -0.15747 0.16425 0.01484 -0.06431 0.10244 16 2 C 1S 0.01070 -0.01095 0.02331 0.03177 -0.01385 17 2S 0.41425 -0.22367 0.12000 0.42551 -0.39417 18 2PX 0.00321 -0.02568 -0.00155 -0.00356 0.00333 19 2PY 0.10152 -0.01483 -0.02631 0.02814 -0.07915 20 2PZ -0.01758 0.06516 -0.05849 -0.10883 0.09353 21 3S -1.30340 0.88174 -1.15635 -2.67063 1.25936 22 3PX -0.55509 -0.25016 -0.17539 -0.44008 -0.04562 23 3PY -1.02944 -0.05192 -0.58612 -1.52460 0.70826 24 3PZ -0.23818 -0.05833 -0.02627 -0.04872 -0.04452 25 4XX -0.15013 -0.22596 -0.09388 -0.35261 -0.23761 26 4YY 0.25902 0.34349 0.11775 0.05403 0.03155 27 4ZZ -0.15523 -0.08660 -0.02362 0.20575 0.27750 28 4XY -0.31391 -0.13435 -0.10560 -0.10306 -0.00064 29 4XZ -0.05103 -0.06196 -0.04331 0.03304 0.09601 30 4YZ -0.19235 -0.19116 -0.06918 -0.05376 -0.05177 31 3 C 1S 0.02174 -0.01735 0.00673 0.03304 0.00991 32 2S 0.20857 -0.06642 0.04407 0.27952 -0.20456 33 2PX 0.03151 -0.04400 0.02320 0.05843 -0.01673 34 2PY -0.02132 0.01390 -0.00303 0.01873 0.10404 35 2PZ -0.03836 -0.01685 -0.02258 -0.05340 -0.00643 36 3S -1.40640 0.45352 -0.56653 -2.08754 0.47648 37 3PX -0.02452 -0.22746 0.04697 0.38457 -0.15195 38 3PY 0.44807 -0.13665 0.14672 0.46248 0.05248 39 3PZ -0.16216 0.32140 -0.12042 -0.48568 -0.04605 40 4XX 0.11694 -0.39334 0.00761 0.29289 -0.10403 41 4YY -0.08733 0.00988 -0.01680 -0.11627 -0.00757 42 4ZZ -0.05917 0.35165 0.01106 -0.19692 0.20219 43 4XY -0.17048 -0.05017 -0.10165 -0.19955 -0.13274 44 4XZ -0.19409 -0.10672 -0.03089 0.10706 0.14266 45 4YZ -0.16232 -0.01539 -0.09106 -0.26236 -0.04084 46 4 H 1S 0.07548 -0.15904 -0.01667 0.03374 -0.19106 47 2S 0.04095 0.15963 -0.02493 0.03232 -0.03028 48 5 H 1S 0.15117 0.21996 0.06627 0.01019 0.06894 49 2S 0.02067 -0.01532 0.03589 0.02885 -0.08006 50 6 C 1S -0.03462 -0.00266 -0.01224 -0.04520 0.00002 51 2S -0.19363 0.00407 -0.10393 -0.24563 0.02528 52 2PX -0.04227 -0.02797 -0.03467 -0.06760 0.01419 53 2PY -0.01308 -0.04041 -0.00746 0.02588 0.01231 54 2PZ 0.06537 -0.03750 0.01174 0.06539 -0.01530 55 3S 1.63863 -0.20659 0.80905 2.26933 -0.48851 56 3PX 0.02251 0.05343 -0.16074 -0.34402 0.19712 57 3PY 0.39220 -0.04537 0.07488 0.38910 0.07867 58 3PZ 0.35077 -0.06789 0.17176 0.58018 0.05202 59 4XX -0.08840 -0.39285 -0.17526 -0.21497 -0.22712 60 4YY 0.00519 -0.04224 -0.01399 0.05654 0.25823 61 4ZZ 0.08450 0.40834 0.20265 0.14362 -0.05627 62 4XY -0.22259 0.18945 0.00783 -0.27492 -0.04844 63 4XZ 0.17191 -0.07690 -0.07641 -0.05343 -0.09662 64 4YZ -0.24039 0.03675 -0.05315 -0.29333 -0.16332 65 7 H 1S -0.03538 -0.23849 -0.11539 -0.05543 0.15072 66 2S -0.01517 0.08999 -0.00527 0.02054 0.05215 67 8 H 1S -0.27101 0.24498 0.04917 -0.15794 0.07009 68 2S -0.01719 -0.07959 -0.03590 -0.05746 -0.02598 69 9 H 1S -0.20766 -0.28194 -0.06486 -0.09017 0.00532 70 2S -0.24794 -0.09114 -0.11289 -0.33098 0.15572 71 10 H 1S 0.18109 -0.23630 0.01939 0.10127 -0.05326 72 2S 0.19005 -0.16856 0.13137 0.29310 -0.04442 73 11 C 1S 0.01500 -0.00209 0.00811 -0.02121 0.00720 74 2S 0.24492 -0.32427 -0.01427 -0.34214 -0.07737 75 2PX -0.01401 0.03641 0.07129 0.00929 0.03835 76 2PY -0.04452 -0.14423 0.11209 -0.03432 -0.00048 77 2PZ 0.04710 -0.07481 -0.02369 -0.02833 -0.05055 78 3S -0.87533 0.01292 0.32062 1.37948 0.00340 79 3PX 0.16722 -0.26861 0.21341 -0.15807 -0.24677 80 3PY -0.14628 0.39942 0.04887 0.44641 0.18402 81 3PZ -0.26599 0.20361 0.12865 0.46381 0.12504 82 4XX -0.09390 -0.01338 -0.23078 0.17373 0.02357 83 4YY -0.01752 0.19493 -0.09195 0.05172 -0.03939 84 4ZZ 0.10344 -0.15583 0.38165 -0.20646 0.04671 85 4XY -0.17701 0.07746 -0.08007 0.19126 0.07433 86 4XZ 0.18448 -0.07080 0.04488 0.02187 -0.16252 87 4YZ -0.09771 -0.04078 0.03299 0.12474 0.03188 88 12 H 1S 0.04554 0.12787 -0.10565 0.03293 0.01645 89 2S -0.04776 0.12878 0.02452 0.05942 0.13755 90 13 C 1S -0.01450 -0.00424 0.02425 0.00726 -0.00568 91 2S -0.29659 -0.31872 0.26775 0.21839 0.07065 92 2PX 0.02917 0.03603 0.05675 -0.05529 -0.03995 93 2PY -0.02832 0.14531 -0.09310 0.05069 -0.02440 94 2PZ -0.06044 -0.06534 -0.00371 0.03724 0.05105 95 3S 0.86277 0.11545 -0.92512 -1.10538 -0.00357 96 3PX -0.15843 -0.30024 0.20846 -0.00415 0.30588 97 3PY -0.21303 -0.41077 0.29101 0.35248 0.20569 98 3PZ 0.28837 0.27441 -0.23486 -0.40727 -0.04852 99 4XX 0.05044 -0.02044 -0.28866 0.03233 -0.10752 100 4YY 0.04376 0.19530 -0.11018 0.03123 -0.00946 101 4ZZ -0.07840 -0.14793 0.42278 -0.11580 0.11210 102 4XY -0.16500 -0.07700 0.18452 0.08395 0.13479 103 4XZ -0.19222 -0.03886 0.00619 -0.03388 0.16625 104 4YZ -0.09557 0.03479 0.04493 0.11707 0.06639 105 14 H 1S -0.04644 0.13171 -0.08819 0.04786 -0.03231 106 2S 0.06738 0.13080 0.00466 -0.08440 -0.09218 107 15 O 1S -0.01354 -0.00501 -0.00489 0.00518 0.01197 108 2S 0.02587 -0.01984 -0.11208 0.17848 -0.12166 109 2PX 0.06820 -0.03695 0.08041 0.00733 -0.06477 110 2PY 0.05129 0.03437 -0.05831 -0.00037 -0.05090 111 2PZ -0.01785 0.04584 -0.01875 0.02123 0.01147 112 3S 0.31606 0.11328 0.20774 -0.58984 -0.00755 113 3PX -0.00094 -0.07759 -0.08403 -0.18018 0.10802 114 3PY -0.00607 -0.00078 0.12951 -0.08382 0.02456 115 3PZ -0.13534 -0.07093 -0.05543 0.08160 0.05389 116 4XX 0.00080 0.10127 -0.39401 0.10494 -0.05622 117 4YY -0.06281 -0.00252 0.00474 0.08497 0.00036 118 4ZZ 0.03830 -0.11378 0.34252 -0.15178 0.07747 119 4XY -0.09224 -0.00598 -0.04466 0.09263 0.04471 120 4XZ 0.13279 -0.00976 -0.34573 -0.03911 -0.13720 121 4YZ -0.11763 -0.03332 0.15127 -0.01190 0.13905 122 16 O 1S 0.01062 -0.00456 -0.00676 -0.00179 -0.00974 123 2S -0.04358 0.01875 -0.22316 -0.03814 0.09362 124 2PX -0.05536 -0.02480 0.04969 -0.05298 0.06730 125 2PY 0.05347 -0.03962 0.05066 -0.04334 -0.05132 126 2PZ 0.02585 0.03622 -0.02528 -0.00078 -0.02172 127 3S -0.23927 0.01090 0.59587 0.27161 0.03015 128 3PX -0.02782 -0.11768 0.08467 0.16315 -0.11745 129 3PY -0.03241 0.01333 -0.16180 0.02732 0.02289 130 3PZ 0.09958 -0.05158 -0.10956 -0.02695 -0.04211 131 4XX -0.04930 0.10160 -0.34853 0.18635 -0.09375 132 4YY 0.06243 0.00532 -0.06045 -0.06373 0.00234 133 4ZZ -0.00592 -0.10755 0.34473 -0.12260 0.08839 134 4XY -0.07800 0.00866 0.09911 0.03090 0.07712 135 4XZ -0.18537 0.00401 -0.21896 0.25345 0.04046 136 4YZ -0.12619 0.04096 -0.12298 0.10225 0.03105 137 17 C 1S 0.00175 0.02099 0.00110 -0.00017 0.00059 138 2S -0.00418 0.15835 -0.24332 0.09900 -0.02126 139 2PX -0.01067 -0.05006 -0.08973 0.03413 -0.00645 140 2PY -0.01168 0.00217 -0.00229 -0.00228 0.00416 141 2PZ 0.00219 -0.00771 0.03640 -0.01474 0.00765 142 3S -0.04935 -0.59495 0.05731 -0.03777 0.01404 143 3PX -0.00174 -0.13678 0.10802 -0.04280 -0.02656 144 3PY 0.01987 -0.00794 0.01727 0.01693 -0.05850 145 3PZ 0.02237 0.50466 -0.29179 0.12588 -0.07629 146 4XX -0.02004 -0.10657 -0.14756 0.05893 -0.05621 147 4YY 0.00729 -0.12969 0.15192 -0.06547 0.00481 148 4ZZ 0.01557 0.25718 0.01540 -0.00121 0.04758 149 4XY -0.06887 0.00004 0.02277 0.02194 0.00162 150 4XZ -0.01873 0.10905 -0.38652 0.15744 -0.08242 151 4YZ -0.30691 0.00241 0.06646 0.15466 0.18769 152 18 H 1S -0.01316 -0.17828 0.00533 -0.00316 -0.02013 153 2S 0.00386 -0.08725 0.15011 -0.06087 0.03935 154 19 H 1S 0.01880 0.04329 0.19635 -0.07806 0.03328 155 2S 0.00726 0.18890 -0.13524 0.05951 -0.05286 156 20 C 1S -0.00845 0.00827 -0.01564 -0.02626 0.01345 157 2S -0.10838 0.39793 -0.10229 -0.37030 0.20931 158 2PX 0.03948 0.01708 0.00589 -0.07403 -0.04233 159 2PY -0.04431 0.09289 0.02495 0.05658 0.09956 160 2PZ -0.05618 -0.09904 -0.03164 0.05564 0.04713 161 3S 1.48289 -0.57444 1.23100 2.81607 -1.20958 162 3PX 0.46322 0.03884 0.20418 0.58834 -0.01509 163 3PY 0.46403 -0.02870 0.35007 1.00589 -0.42437 164 3PZ -0.40057 0.35346 -0.60634 -1.53188 0.65871 165 4XX 0.26306 0.25926 -0.03850 -0.15356 0.09378 166 4YY 0.01226 -0.18373 0.02145 0.07656 -0.17376 167 4ZZ -0.21236 -0.08278 0.02160 0.10705 0.06070 168 4XY 0.18204 -0.06213 -0.23922 -0.34470 0.36680 169 4XZ -0.27197 -0.13520 -0.08574 -0.06309 -0.03638 170 4YZ 0.03268 -0.05136 -0.00210 -0.03647 0.09794 171 21 H 1S -0.04698 -0.00651 0.05626 0.12486 -0.09623 172 2S 0.14864 -0.03828 0.13594 0.45302 -0.13470 173 22 C 1S 0.00258 0.00844 0.00609 0.02550 0.00617 174 2S 0.14836 0.38970 0.17100 0.34258 0.05030 175 2PX -0.01212 0.02165 0.06247 0.05911 -0.05389 176 2PY -0.03275 -0.09683 0.03346 0.07779 -0.10034 177 2PZ 0.02142 -0.09873 -0.05047 -0.04425 -0.06341 178 3S -1.31022 -0.27621 -1.06650 -2.77984 0.64105 179 3PX -0.40254 0.15284 -0.16708 -0.56666 -0.20329 180 3PY 0.50713 0.07444 0.46683 0.91461 -0.32675 181 3PZ 0.37460 0.18472 0.67238 1.47578 -0.44158 182 4XX -0.25026 0.28932 0.11744 0.10496 -0.02935 183 4YY -0.02487 -0.20490 -0.04383 -0.05785 -0.14699 184 4ZZ 0.19704 -0.10387 -0.10200 -0.07815 0.26404 185 4XY 0.22120 0.03935 -0.12727 -0.37181 0.10441 186 4XZ 0.13008 -0.17001 -0.12651 0.08459 0.52294 187 4YZ 0.02408 -0.01286 -0.07149 -0.02369 0.13631 188 23 H 1S 0.00653 0.01070 -0.06788 -0.12662 0.10916 189 2S -0.15099 -0.03172 -0.22222 -0.40931 0.08546 156 157 158 159 160 V V V V V Eigenvalues -- 2.32248 2.37518 2.41371 2.43887 2.45788 1 1 C 1S 0.00710 0.00019 -0.03297 0.05812 -0.02429 2 2S 0.24500 -0.07689 -0.19966 0.21959 -0.18597 3 2PX -0.00351 -0.04299 0.15300 -0.12098 0.04269 4 2PY -0.06233 -0.02013 -0.00148 0.02442 0.01481 5 2PZ -0.07251 0.07595 -0.17880 0.07936 -0.02960 6 3S -0.96203 0.91461 1.10372 -1.78207 0.75341 7 3PX -0.12811 0.09931 0.36170 -0.34528 0.00695 8 3PY 0.58585 -0.20749 -0.44185 0.61103 -0.28733 9 3PZ 0.16052 -0.13660 -0.12053 0.24809 -0.11373 10 4XX 0.19746 -0.04101 -0.20601 0.22164 -0.02087 11 4YY 0.01395 0.29657 -0.09011 -0.34329 0.01659 12 4ZZ -0.24894 -0.16990 0.26178 0.16810 -0.00091 13 4XY 0.11316 -0.10530 -0.13971 0.38787 -0.06124 14 4XZ -0.13163 -0.10985 -0.03725 0.27271 -0.08365 15 4YZ -0.03809 0.26230 0.03187 0.03207 -0.00934 16 2 C 1S 0.00384 -0.00054 0.04408 0.02839 -0.00893 17 2S -0.20978 0.03689 0.21450 0.00317 0.04110 18 2PX -0.00768 0.03748 -0.18206 -0.00883 0.00825 19 2PY -0.02429 -0.02073 -0.01054 -0.07738 0.03999 20 2PZ 0.03921 -0.06267 0.22069 0.01676 -0.02816 21 3S 0.47855 -0.81582 -1.42285 -0.90312 0.16491 22 3PX -0.17779 -0.15084 -0.40544 -0.06163 -0.04430 23 3PY 0.30698 -0.19786 -0.54420 -0.11565 -0.07723 24 3PZ -0.21133 0.16656 0.10217 -0.27587 0.11424 25 4XX 0.36458 -0.00911 0.23511 0.09837 0.01359 26 4YY -0.03058 -0.25234 -0.01656 -0.32735 0.00769 27 4ZZ -0.27633 0.19362 -0.16364 0.24070 -0.04232 28 4XY -0.36953 -0.13312 -0.20813 -0.09504 -0.02843 29 4XZ -0.27688 0.12464 0.09198 0.21648 -0.06152 30 4YZ 0.14676 0.22708 0.03423 -0.02464 -0.00673 31 3 C 1S -0.00857 0.04149 0.05873 -0.05761 0.01823 32 2S -0.08513 0.15301 0.34795 -0.32472 0.15797 33 2PX -0.01176 -0.00286 0.04065 -0.04820 0.02297 34 2PY 0.00367 0.07364 0.10625 -0.02280 -0.01196 35 2PZ 0.00170 -0.05117 -0.02315 0.08278 -0.01959 36 3S 0.67551 -1.30190 -2.16824 1.87800 -0.73347 37 3PX -0.30400 0.40458 0.32159 -0.91151 0.34496 38 3PY 0.10204 0.52508 0.50532 -0.23025 0.12876 39 3PZ -0.12912 -0.36043 -0.74903 0.36375 -0.10967 40 4XX 0.05352 -0.03964 -0.08301 -0.38418 0.17188 41 4YY -0.23562 -0.18834 -0.23993 0.04850 -0.04730 42 4ZZ 0.20790 0.26536 0.35514 0.31421 -0.14017 43 4XY -0.16187 -0.45925 0.12799 -0.21999 0.09730 44 4XZ 0.14241 0.23915 0.36368 -0.41708 0.11274 45 4YZ -0.18854 0.12880 -0.13444 -0.14260 0.08756 46 4 H 1S -0.32759 -0.12407 -0.19271 -0.27138 0.13907 47 2S -0.06501 -0.00806 -0.00016 0.01930 -0.01054 48 5 H 1S 0.03401 0.16740 0.11677 0.30182 -0.13114 49 2S 0.02761 -0.16333 0.05015 0.08495 -0.01224 50 6 C 1S -0.00724 -0.04319 -0.06315 0.00658 -0.00578 51 2S 0.20938 -0.17096 -0.40796 0.03917 0.00965 52 2PX 0.00277 -0.01872 -0.05494 -0.02820 0.00630 53 2PY 0.09330 0.06545 0.09115 -0.08409 0.04119 54 2PZ 0.00502 0.03861 0.02896 0.05658 -0.00491 55 3S -0.47623 1.34427 2.32444 -0.44136 0.27688 56 3PX -0.01139 -0.45339 -0.45382 0.15202 -0.10837 57 3PY 0.02750 0.50466 0.49888 -0.38498 0.13176 58 3PZ 0.05640 0.36032 0.89693 0.17898 -0.09799 59 4XX 0.13101 -0.09643 0.04682 0.28093 -0.11349 60 4YY -0.04565 0.18658 0.23424 -0.23492 0.03820 61 4ZZ -0.16673 -0.12414 -0.30244 -0.03433 0.05473 62 4XY -0.06462 -0.38179 0.18673 -0.05040 0.00659 63 4XZ -0.16129 -0.23678 -0.42022 -0.14191 0.04750 64 4YZ 0.06114 0.16678 -0.15125 -0.24765 0.12849 65 7 H 1S 0.11923 -0.01082 0.17991 0.19876 -0.12176 66 2S 0.04182 0.06697 0.06115 -0.03157 0.00477 67 8 H 1S 0.02850 -0.03685 -0.03786 -0.13765 0.06099 68 2S 0.12601 0.11647 -0.06754 0.00735 0.01305 69 9 H 1S 0.08362 0.17047 0.04826 0.24496 -0.03055 70 2S 0.01566 -0.05243 -0.09047 -0.05385 -0.03165 71 10 H 1S -0.01748 -0.20197 0.03268 0.30348 -0.04734 72 2S -0.14733 0.04925 0.04804 -0.18305 0.06074 73 11 C 1S -0.00054 0.00974 -0.00412 -0.00370 0.00911 74 2S -0.13488 0.35375 0.22843 0.17368 0.10148 75 2PX 0.05914 -0.00908 -0.02831 0.00168 0.00207 76 2PY 0.00945 -0.02490 -0.00774 0.04489 0.06101 77 2PZ -0.06810 0.07111 0.07624 0.03427 -0.00944 78 3S 0.45660 -1.19557 -0.31123 -0.06967 -0.13599 79 3PX -0.33461 0.17147 0.04614 0.01770 0.02752 80 3PY 0.34903 -0.56311 -0.16956 0.09726 -0.03507 81 3PZ 0.24273 -0.35565 -0.13667 -0.19856 -0.11745 82 4XX 0.07391 -0.12287 -0.08571 0.05661 0.26580 83 4YY 0.00536 -0.01615 -0.00434 -0.01666 -0.08063 84 4ZZ -0.06741 0.06851 0.03148 -0.10520 -0.19692 85 4XY 0.13320 -0.05624 -0.02313 -0.06968 0.09771 86 4XZ -0.15149 0.08751 0.03018 0.02434 0.16530 87 4YZ 0.06540 0.01444 0.00395 -0.12414 0.10757 88 12 H 1S 0.02566 -0.03517 -0.02474 0.06689 0.07189 89 2S 0.14815 -0.13046 -0.06024 -0.02608 -0.08746 90 13 C 1S 0.00501 -0.00755 0.00404 -0.00059 0.01162 91 2S 0.24071 -0.35680 -0.19778 0.11039 0.27884 92 2PX -0.01392 0.02350 0.03750 0.06258 -0.04376 93 2PY -0.00270 -0.02371 -0.01174 -0.00342 -0.08282 94 2PZ 0.05503 -0.08061 -0.07435 0.00039 0.03427 95 3S -0.63191 1.15409 0.28676 -0.11808 -0.49612 96 3PX 0.23990 -0.20307 -0.07386 -0.17634 0.07813 97 3PY 0.35519 -0.59342 -0.17491 0.10849 0.05216 98 3PZ -0.29310 0.35377 0.13851 0.15004 -0.43671 99 4XX -0.06450 0.11298 0.09879 0.09332 0.23239 100 4YY 0.00688 0.02291 -0.00683 -0.07481 -0.04385 101 4ZZ 0.01272 -0.06028 -0.04192 -0.06175 -0.23510 102 4XY 0.09108 -0.05835 -0.02499 -0.09852 0.02714 103 4XZ 0.15746 -0.08671 -0.01980 0.05890 0.13385 104 4YZ 0.04018 0.01985 0.00716 -0.11980 0.04641 105 14 H 1S -0.01832 0.05095 0.03902 0.03927 0.09794 106 2S -0.14250 0.13417 0.06303 0.00765 -0.13561 107 15 O 1S 0.01108 -0.00974 -0.00115 -0.00206 0.00037 108 2S -0.08271 0.04373 0.09617 0.04758 -0.05532 109 2PX -0.06445 0.05600 0.03266 -0.02201 -0.05453 110 2PY -0.05412 0.02642 0.01687 0.03243 -0.00485 111 2PZ 0.01766 -0.01504 -0.01610 0.00343 -0.04294 112 3S -0.14591 0.22957 -0.09097 0.00196 0.11454 113 3PX 0.07116 -0.01449 -0.04184 0.12732 0.31642 114 3PY 0.01213 0.03648 -0.04863 -0.09432 0.03084 115 3PZ 0.05697 -0.07548 0.01442 0.02504 0.14907 116 4XX 0.04193 0.01528 -0.02247 -0.01625 0.14395 117 4YY 0.00964 -0.03539 -0.02390 -0.01309 0.05675 118 4ZZ -0.03735 -0.00745 0.05110 0.01755 -0.19346 119 4XY 0.07947 -0.07181 -0.01552 0.10694 0.30612 120 4XZ -0.09738 0.13925 0.10986 -0.02082 -0.00384 121 4YZ 0.05550 -0.11425 -0.00418 0.17572 0.35650 122 16 O 1S -0.01392 0.00910 0.00140 0.00325 -0.00265 123 2S 0.07087 -0.06035 -0.08632 0.04821 -0.03521 124 2PX 0.06950 -0.05938 -0.03889 -0.02030 -0.05028 125 2PY -0.03985 0.02606 0.01239 0.00464 -0.02071 126 2PZ -0.01508 0.01673 0.01512 -0.00865 -0.04387 127 3S 0.19800 -0.18839 0.06667 -0.21009 0.24173 128 3PX -0.04802 0.01904 0.06346 0.06921 0.36753 129 3PY -0.01342 0.02285 -0.03451 0.02778 0.01989 130 3PZ -0.08537 0.07015 -0.00207 0.05804 0.14593 131 4XX 0.03566 -0.01513 0.03038 0.11659 0.08733 132 4YY -0.03095 0.03760 0.02448 0.00207 0.04280 133 4ZZ -0.04523 0.00253 -0.05731 -0.10245 -0.13787 134 4XY 0.05083 -0.07209 -0.03736 -0.10179 -0.29669 135 4XZ 0.12346 -0.15898 -0.11534 0.02466 0.00953 136 4YZ 0.12883 -0.12582 -0.03917 -0.05414 -0.43049 137 17 C 1S -0.00019 0.00104 -0.00049 -0.00677 -0.01119 138 2S -0.00472 -0.00072 0.00822 0.06661 -0.01592 139 2PX -0.00353 -0.00552 0.00598 0.05725 0.03594 140 2PY -0.00003 -0.00327 -0.03912 -0.01002 0.01057 141 2PZ -0.00526 0.00027 -0.00107 -0.01084 0.00320 142 3S -0.00976 -0.02542 0.01276 0.16081 0.34467 143 3PX 0.03958 -0.00407 -0.00920 -0.03907 -0.03137 144 3PY -0.04509 0.00636 -0.00899 0.00169 0.00713 145 3PZ 0.05601 0.01609 -0.00503 -0.04114 -0.17422 146 4XX 0.03527 -0.01153 -0.02347 -0.15051 -0.52328 147 4YY 0.00363 0.00055 0.00034 0.00542 0.07744 148 4ZZ -0.02999 0.01308 0.02079 0.12396 0.44818 149 4XY 0.02424 -0.07950 -0.04992 0.05432 -0.01575 150 4XZ 0.02978 -0.01130 -0.02542 -0.16311 -0.56359 151 4YZ 0.20816 -0.22507 -0.05708 0.07678 -0.04285 152 18 H 1S 0.01166 -0.01143 -0.01690 -0.10939 -0.36261 153 2S -0.02562 0.00075 0.00552 0.03115 0.17962 154 19 H 1S -0.00504 0.00992 0.01286 0.07974 0.29457 155 2S 0.03958 0.00394 -0.01350 -0.09301 -0.23266 156 20 C 1S -0.00255 0.00008 0.01947 -0.02262 0.00383 157 2S 0.01413 -0.16858 0.09798 -0.23748 0.02372 158 2PX 0.05893 -0.00193 0.00803 -0.02431 0.00046 159 2PY -0.10788 0.05697 -0.12374 0.03663 -0.02942 160 2PZ 0.04059 0.09883 -0.08702 0.05802 0.00032 161 3S -0.74976 0.32683 -0.21214 0.87925 -0.22368 162 3PX 0.17506 -0.00489 -0.12087 0.07051 0.04026 163 3PY -0.47011 -0.11147 -0.35043 -0.14710 0.14261 164 3PZ 0.41560 -0.40645 0.15006 -0.53878 0.05668 165 4XX 0.04229 -0.05549 0.23956 -0.21755 0.05317 166 4YY 0.13064 -0.09680 -0.19641 -0.09309 0.03384 167 4ZZ -0.27296 0.11186 -0.01840 0.33688 -0.09419 168 4XY 0.07726 0.01397 -0.38569 0.08094 -0.02923 169 4XZ -0.49105 0.21086 -0.13308 -0.07090 0.02992 170 4YZ 0.12157 0.24862 -0.30504 -0.10341 0.05115 171 21 H 1S -0.09767 0.15815 -0.11208 -0.17556 0.09350 172 2S -0.11162 -0.03880 -0.11791 0.13079 0.01064 173 22 C 1S -0.01577 0.00158 -0.02164 -0.01244 -0.00027 174 2S -0.28332 0.21850 -0.10840 0.02675 -0.13520 175 2PX 0.04033 0.00178 -0.01446 0.00345 -0.01270 176 2PY 0.08686 0.04341 -0.15566 -0.00551 0.02110 177 2PZ -0.00368 -0.10842 0.10031 -0.02872 0.05426 178 3S 1.23302 -0.43164 0.35485 0.43321 -0.11549 179 3PX 0.06665 0.00310 0.12235 0.07387 0.00191 180 3PY -0.58588 -0.12506 -0.29486 0.09652 -0.09641 181 3PZ -0.59904 0.46357 -0.20301 -0.09400 -0.07875 182 4XX -0.05827 0.09119 -0.25364 -0.04992 -0.00843 183 4YY 0.19543 0.06476 0.15299 -0.12940 0.03767 184 4ZZ -0.11595 -0.12149 0.07548 0.14865 -0.00316 185 4XY 0.34780 0.01604 -0.41798 -0.04031 0.06159 186 4XZ -0.02809 -0.20323 0.10525 -0.17847 0.04915 187 4YZ 0.11387 0.25165 -0.25075 0.06057 -0.00383 188 23 H 1S 0.08520 -0.14644 0.05396 -0.15270 0.06445 189 2S 0.15161 0.02262 0.12408 0.01491 0.04159 161 162 163 164 165 V V V V V Eigenvalues -- 2.47115 2.48230 2.51042 2.54684 2.59113 1 1 C 1S -0.01630 0.01922 0.05464 0.00789 -0.01686 2 2S 0.26436 0.03760 1.37816 0.29101 -0.06061 3 2PX 0.00199 0.00550 -0.05111 0.04513 0.02002 4 2PY -0.14558 0.05368 -0.26065 -0.04951 -0.01901 5 2PZ -0.01060 -0.03687 0.06473 -0.05411 0.03799 6 3S 0.30067 -0.39274 -3.50507 -0.48420 0.38348 7 3PX 0.10483 0.20670 -0.17028 0.09814 0.00669 8 3PY 0.19771 -0.20438 1.98255 0.30965 -0.24241 9 3PZ 0.35575 -0.02173 -0.03164 -0.29450 -0.05294 10 4XX -0.10930 0.01452 0.03501 -0.01016 -0.01604 11 4YY 0.22731 -0.01106 -0.09846 0.02039 -0.15946 12 4ZZ -0.16362 0.01449 -0.21895 -0.10445 0.17680 13 4XY -0.07654 0.00354 -0.00183 -0.09592 0.03942 14 4XZ -0.17904 -0.00080 0.06582 0.03917 -0.11248 15 4YZ -0.03275 0.01094 -0.05227 0.05261 -0.05777 16 2 C 1S -0.06298 -0.00675 -0.04774 0.00875 -0.01659 17 2S -0.49526 -0.00278 -1.31962 -0.26287 -0.09485 18 2PX 0.08414 -0.01530 0.05154 -0.03545 0.01555 19 2PY -0.02354 0.03059 -0.26358 -0.10340 0.00934 20 2PZ -0.00149 0.03228 -0.05309 -0.00675 0.03738 21 3S 2.11962 0.01249 3.22370 0.02974 0.41060 22 3PX 0.13814 -0.25543 0.10870 -0.12059 -0.00754 23 3PY 0.88013 -0.31003 1.94409 0.18208 0.26131 24 3PZ -0.18336 -0.00762 0.12656 0.19213 0.00966 25 4XX -0.19396 0.03420 0.08055 0.09984 -0.00892 26 4YY 0.25245 -0.05413 -0.04263 -0.03026 -0.16365 27 4ZZ -0.02821 0.00249 0.23296 0.01394 0.18617 28 4XY 0.27960 -0.05431 -0.09074 -0.12708 -0.05004 29 4XZ -0.24149 0.07223 -0.07158 0.07635 -0.10643 30 4YZ 0.07095 -0.00917 0.01082 -0.01498 0.04962 31 3 C 1S -0.01044 0.01697 -0.06224 0.01927 0.01211 32 2S -0.08109 0.12051 -0.62481 0.32147 0.07941 33 2PX -0.00800 -0.02345 -0.08035 -0.09311 0.01861 34 2PY -0.06269 0.02847 0.01117 0.04060 -0.04440 35 2PZ -0.04390 0.00507 0.05570 0.01202 -0.02277 36 3S 0.77349 -0.63557 3.64908 -0.81092 -0.31513 37 3PX -0.21934 0.21929 -0.44451 0.75275 0.21815 38 3PY -0.39244 0.37038 -0.92919 0.28463 0.03322 39 3PZ -0.14723 -0.01218 0.85733 0.19480 -0.05784 40 4XX -0.30397 0.10041 0.26711 0.28191 0.01216 41 4YY 0.17832 -0.10082 -0.02490 -0.11513 -0.01717 42 4ZZ 0.12895 0.00732 -0.15029 -0.23773 0.01382 43 4XY -0.09715 -0.03980 0.19485 0.04910 0.06810 44 4XZ 0.21723 -0.02850 -0.03790 0.05827 0.05571 45 4YZ -0.31890 0.05596 -0.22264 0.11135 -0.00953 46 4 H 1S -0.32530 0.08711 -0.10957 0.28181 0.03723 47 2S 0.07562 -0.05964 0.01830 0.02725 -0.00733 48 5 H 1S 0.17197 -0.03119 -0.37838 -0.23581 -0.04433 49 2S -0.05912 -0.07011 -0.02998 -0.18502 -0.02965 50 6 C 1S 0.05157 -0.02424 0.05565 -0.02672 0.00920 51 2S 0.27716 -0.14764 0.62365 -0.30219 0.05061 52 2PX 0.08079 0.01004 0.07898 0.06446 0.03279 53 2PY -0.00173 0.02050 0.02533 0.03006 0.04582 54 2PZ -0.06563 0.01773 -0.03152 0.02326 -0.01812 55 3S -1.89498 0.83113 -3.47634 0.95139 -0.22053 56 3PX 0.71912 -0.29561 0.30595 -0.74585 0.06534 57 3PY -0.29320 0.34147 -0.96384 0.26307 -0.00300 58 3PZ -0.25549 0.05202 -0.99830 -0.23350 -0.11741 59 4XX 0.37525 -0.11788 -0.22875 -0.27577 -0.04370 60 4YY -0.03312 0.07431 -0.02525 0.09749 -0.00956 61 4ZZ -0.32150 0.02998 0.15196 0.22268 0.06484 62 4XY -0.17746 -0.02614 0.22529 0.04898 -0.05488 63 4XZ 0.39127 -0.07207 -0.07826 -0.21465 0.04298 64 4YZ -0.27957 0.06047 -0.12789 0.12984 0.02856 65 7 H 1S 0.37368 -0.10790 0.03145 -0.29147 -0.02352 66 2S -0.06962 0.04097 -0.11004 -0.05908 -0.01889 67 8 H 1S -0.30346 0.05436 0.41626 0.25519 0.00265 68 2S 0.04326 0.07079 0.11063 0.16330 0.02713 69 9 H 1S -0.22655 -0.04753 0.13003 0.05876 0.08589 70 2S 0.22305 -0.10645 0.40338 0.09037 0.06118 71 10 H 1S -0.17915 0.10495 -0.02494 -0.03492 0.08133 72 2S -0.04146 0.08125 -0.42385 -0.09536 0.05413 73 11 C 1S 0.00986 -0.01928 0.04683 -0.00738 0.03454 74 2S 0.30911 0.26470 0.90161 0.23184 0.04125 75 2PX -0.09484 -0.04911 -0.10018 0.01687 0.21750 76 2PY 0.05542 0.15802 -0.10489 0.14682 0.15769 77 2PZ 0.05737 0.03852 0.18616 -0.01663 -0.07943 78 3S -0.65880 0.76862 -3.57700 0.24014 -0.71032 79 3PX -0.00038 -0.81450 0.32769 -0.77012 0.33541 80 3PY 0.00830 0.71282 -1.42520 0.35851 -0.18028 81 3PZ -0.50625 0.14103 -1.56587 0.43609 -0.52260 82 4XX 0.00724 0.38451 -0.04536 -0.23241 -0.10447 83 4YY 0.08289 0.23427 -0.14154 0.22681 0.11001 84 4ZZ -0.12524 -0.66328 0.02274 -0.01764 0.03562 85 4XY -0.21018 -0.17465 -0.01399 -0.42815 0.02485 86 4XZ -0.02561 0.04996 -0.13112 -0.08508 0.38277 87 4YZ -0.20319 0.04248 0.04585 -0.39399 -0.03394 88 12 H 1S 0.05443 0.22652 -0.11628 0.22262 0.05353 89 2S -0.04422 0.14783 -0.44638 0.18964 -0.20026 90 13 C 1S 0.00220 0.01776 -0.04820 0.00367 0.03590 91 2S -0.34242 -0.24538 -0.82123 -0.20494 0.01343 92 2PX 0.04475 0.05528 0.11221 -0.02615 0.21018 93 2PY 0.03204 0.16042 -0.11404 0.15439 -0.13106 94 2PZ -0.08189 -0.02994 -0.18219 0.03815 -0.07633 95 3S 0.50557 -0.76631 3.53852 -0.19344 -0.74587 96 3PX 0.12239 0.79447 -0.36252 0.73905 0.43428 97 3PY 0.02336 0.71174 -1.43134 0.35708 0.23814 98 3PZ 0.37299 -0.11871 1.53587 -0.42486 -0.58054 99 4XX 0.04513 -0.38070 0.04986 0.25988 -0.07191 100 4YY -0.06274 -0.24176 0.11546 -0.22811 0.06923 101 4ZZ 0.10530 0.65502 -0.03604 -0.02702 0.04614 102 4XY -0.20883 -0.17599 -0.01360 -0.43388 -0.07713 103 4XZ 0.06938 -0.05608 0.12648 0.05768 0.38587 104 4YZ -0.22919 0.02435 0.04730 -0.40036 0.01036 105 14 H 1S -0.08020 -0.21836 0.11688 -0.20635 0.03233 106 2S 0.03057 -0.14576 0.45707 -0.21548 -0.22766 107 15 O 1S -0.00393 0.00681 -0.00238 -0.00613 -0.06099 108 2S -0.00506 0.13682 0.00622 0.13193 -0.88756 109 2PX 0.00032 -0.01912 0.01983 0.00076 0.02253 110 2PY 0.03393 0.04724 0.02321 0.04469 -0.08627 111 2PZ -0.02468 -0.07115 -0.00439 -0.02031 -0.02175 112 3S 0.25573 -0.50684 0.62592 -0.39839 2.91798 113 3PX 0.12982 0.05170 0.32736 -0.14358 0.11585 114 3PY -0.04888 -0.22087 -0.03682 -0.10281 1.23655 115 3PZ 0.05973 0.34308 -0.09213 0.12876 -0.13661 116 4XX -0.03947 0.42733 0.13542 -0.24773 -0.21921 117 4YY -0.02605 -0.03936 -0.16133 0.00322 0.39474 118 4ZZ 0.05365 -0.32045 -0.01419 0.23163 -0.45675 119 4XY 0.01219 -0.01251 -0.05750 -0.03037 -0.07863 120 4XZ 0.03835 0.14148 0.32719 -0.16478 -0.30797 121 4YZ 0.20393 0.30663 -0.05176 0.17831 -0.10080 122 16 O 1S 0.00283 -0.00642 0.00411 0.01014 -0.05918 123 2S -0.10380 -0.11871 0.03209 -0.06546 -0.89392 124 2PX -0.00904 0.01819 -0.02223 -0.00563 0.02043 125 2PY 0.05033 0.04280 0.02081 0.03551 0.09084 126 2PZ -0.00533 0.07543 0.00345 0.02561 -0.01573 127 3S 0.02703 0.46067 -0.74152 0.19478 2.93859 128 3PX -0.02723 -0.05084 -0.30388 0.15697 0.14064 129 3PY -0.15158 -0.19290 0.00828 -0.00584 -1.22945 130 3PZ -0.00984 -0.35027 0.10002 -0.12007 -0.17674 131 4XX 0.04003 -0.42123 -0.11713 0.27352 -0.20030 132 4YY 0.06500 0.02294 0.14212 -0.03235 0.38688 133 4ZZ -0.08890 0.33119 0.02104 -0.21194 -0.46238 134 4XY -0.04944 -0.01509 -0.07704 -0.05598 0.07242 135 4XZ -0.05573 -0.13766 -0.31850 0.19519 -0.28578 136 4YZ 0.08098 0.30240 -0.05803 0.16646 0.13258 137 17 C 1S 0.00153 -0.00069 -0.00245 -0.00324 0.07009 138 2S -0.06018 0.00947 0.01056 0.02556 -0.52227 139 2PX -0.03173 0.00687 0.01644 0.02478 -0.55558 140 2PY -0.02955 0.04024 -0.07500 0.02876 0.00344 141 2PZ 0.01007 -0.00170 -0.00670 -0.00910 0.23260 142 3S -0.00161 0.01435 0.06421 0.08665 -2.03351 143 3PX 0.01007 0.00069 0.01840 0.02512 -0.79322 144 3PY -0.01700 0.01847 -0.17664 0.15174 0.01145 145 3PZ -0.03923 0.00260 -0.01105 -0.00060 0.12770 146 4XX -0.08376 0.00250 0.00200 -0.00160 -0.23568 147 4YY 0.02015 -0.00160 0.00539 -0.00145 0.04972 148 4ZZ 0.08332 -0.00413 -0.01051 -0.00652 0.36243 149 4XY 0.05588 0.03724 -0.22928 0.27079 0.01265 150 4XZ -0.09130 0.00163 -0.01971 -0.01800 0.44054 151 4YZ 0.10841 0.03882 -0.16497 0.24100 0.00328 152 18 H 1S -0.05386 0.00056 -0.00438 -0.00845 0.09843 153 2S 0.04617 -0.00406 -0.00313 -0.00778 0.16919 154 19 H 1S 0.05099 -0.00144 0.00387 0.00562 -0.05085 155 2S -0.02128 -0.00168 -0.00871 -0.00808 0.09210 156 20 C 1S 0.01207 0.00876 -0.03536 -0.00595 0.00506 157 2S -0.16460 0.07417 -0.55557 0.00541 -0.26986 158 2PX -0.02267 -0.02067 -0.01640 0.00973 0.01227 159 2PY 0.01446 -0.03684 0.09201 -0.01539 0.03902 160 2PZ 0.11008 -0.01631 0.22061 -0.01501 0.12973 161 3S -0.52818 -0.14364 -0.09619 -0.18071 0.01001 162 3PX -0.11199 0.16670 -0.31092 -0.00678 -0.09264 163 3PY 0.13647 0.12191 0.44139 0.02547 0.04586 164 3PZ 0.14154 -0.02336 0.30491 0.15494 0.00387 165 4XX 0.05619 0.07344 -0.26729 -0.05918 0.05870 166 4YY 0.09460 -0.05451 0.16271 0.01583 0.01380 167 4ZZ -0.09966 -0.01560 0.15577 0.02896 0.00903 168 4XY -0.10029 -0.00371 -0.01603 -0.01939 0.00641 169 4XZ 0.14069 0.03465 -0.17644 -0.08629 0.03478 170 4YZ -0.03672 -0.01106 -0.05555 0.08841 -0.08206 171 21 H 1S 0.10237 0.06785 -0.16408 -0.00050 -0.03372 172 2S -0.01043 0.06693 0.02108 -0.03472 -0.00401 173 22 C 1S 0.02403 -0.01522 0.03104 -0.00645 0.00541 174 2S 0.29085 -0.09719 0.44656 -0.02120 -0.27149 175 2PX 0.01719 0.02247 0.00810 0.00059 0.01206 176 2PY 0.00896 -0.02812 0.10611 0.04279 -0.04179 177 2PZ -0.04858 0.00161 -0.17213 -0.05317 0.12764 178 3S -0.77932 0.35200 0.23294 0.51409 0.03715 179 3PX -0.03404 -0.13658 0.36259 0.06974 -0.09298 180 3PY -0.15443 0.15841 0.42403 0.07796 -0.00700 181 3PZ 0.44968 -0.07677 -0.39830 -0.33643 -0.02383 182 4XX 0.21185 -0.11911 0.23901 -0.03110 0.06279 183 4YY 0.07880 0.03352 -0.14151 -0.01594 0.00931 184 4ZZ -0.33615 0.08062 -0.14709 0.06286 0.01182 185 4XY -0.01251 -0.01222 -0.01394 -0.00986 -0.00110 186 4XZ 0.12744 -0.07883 0.10301 0.02389 0.04029 187 4YZ -0.08607 -0.01353 -0.01711 0.00911 0.09004 188 23 H 1S 0.17761 -0.10438 0.12615 -0.01290 -0.03557 189 2S -0.11087 -0.04406 0.02607 0.07396 -0.00516 166 167 168 169 170 V V V V V Eigenvalues -- 2.63568 2.64884 2.67421 2.69232 2.70136 1 1 C 1S -0.04697 0.05689 -0.02660 0.00905 -0.03541 2 2S 0.09158 0.62910 -0.08222 -0.00784 -0.12896 3 2PX 0.00385 0.03746 -0.02352 0.13352 0.06644 4 2PY -0.14314 -0.02433 -0.06365 0.08936 -0.03361 5 2PZ 0.15186 -0.18450 0.13317 -0.29663 -0.14788 6 3S 1.00185 -3.51149 1.17460 -0.59266 0.82222 7 3PX 0.05835 -0.12027 0.32252 0.39459 0.31365 8 3PY -0.44502 1.82711 -0.47171 0.22982 -0.23644 9 3PZ 0.14821 -0.43757 0.06857 -0.90142 -0.27855 10 4XX -0.13393 0.24848 -0.16829 0.30546 0.22418 11 4YY -0.43451 -0.16843 0.02099 -0.25031 -0.06952 12 4ZZ 0.48545 -0.16032 0.21839 -0.12540 -0.17420 13 4XY 0.07790 0.01842 -0.22402 -0.21862 -0.05925 14 4XZ -0.48872 0.20028 0.08314 -0.19985 -0.37733 15 4YZ -0.18858 0.22578 0.03473 0.63643 0.09950 16 2 C 1S -0.06020 -0.04617 0.02032 -0.00622 0.03952 17 2S -0.00478 -0.60616 0.06702 -0.09233 0.12553 18 2PX -0.01602 -0.04037 0.04364 0.13922 -0.02997 19 2PY 0.15140 -0.04880 -0.05850 -0.07055 -0.06104 20 2PZ 0.20949 0.16796 -0.16929 -0.29310 0.05343 21 3S 1.73491 3.18856 -1.04166 -0.03537 -1.04209 22 3PX 0.05840 0.04768 -0.21413 0.53437 -0.19116 23 3PY 0.76020 1.69088 -0.41553 0.03217 -0.34019 24 3PZ 0.41894 0.51467 -0.24025 -0.95779 0.01507 25 4XX -0.21836 -0.21643 0.19002 0.30339 -0.12431 26 4YY -0.38657 0.23107 -0.11320 -0.22440 0.03179 27 4ZZ 0.53942 0.07363 -0.16503 -0.13382 0.09866 28 4XY -0.04816 0.00471 -0.17879 0.27063 0.00861 29 4XZ -0.49949 -0.09426 -0.18819 -0.25328 0.34032 30 4YZ 0.22079 0.24489 -0.07552 -0.63272 -0.09016 31 3 C 1S 0.03004 -0.03922 -0.03470 0.03972 0.01279 32 2S 0.03606 -0.11607 0.08446 -0.11142 -0.12406 33 2PX 0.08058 -0.08290 0.03862 0.11710 0.12764 34 2PY -0.09117 -0.02915 -0.20862 -0.03046 -0.08003 35 2PZ -0.09997 0.08507 -0.02499 -0.12366 -0.09981 36 3S -0.58282 2.02952 0.22418 -0.60735 -0.24558 37 3PX 0.31999 -0.30088 0.14996 0.22279 0.01984 38 3PY 0.06876 -0.53990 -0.60835 -0.13498 -0.53585 39 3PZ -0.05139 0.35016 -0.33536 -0.18181 -0.42034 40 4XX 0.04074 0.00559 -0.42191 -0.02162 -0.01769 41 4YY -0.08170 0.11630 0.64798 0.06373 0.23166 42 4ZZ 0.09838 -0.17655 -0.35985 0.05075 -0.14019 43 4XY 0.19479 0.04356 -0.06785 0.12891 0.21390 44 4XZ 0.15167 -0.03004 0.06113 0.28665 0.27878 45 4YZ -0.12054 -0.05285 0.16011 -0.18749 -0.29148 46 4 H 1S 0.00735 -0.02705 0.10284 -0.08572 -0.11688 47 2S 0.08478 -0.09977 -0.05348 -0.00646 0.04122 48 5 H 1S -0.08536 -0.11364 0.13869 -0.01080 -0.02099 49 2S -0.05078 0.01329 -0.03334 -0.02887 0.16192 50 6 C 1S 0.01814 0.02837 0.04675 0.03867 -0.00533 51 2S -0.09261 0.11685 -0.10633 -0.06307 0.09334 52 2PX 0.11792 0.06169 -0.00059 0.15331 -0.09298 53 2PY 0.12178 -0.04798 -0.18797 0.08425 -0.07614 54 2PZ -0.10430 -0.05143 -0.02311 -0.13639 0.05670 55 3S -0.27989 -1.79518 -0.45615 -0.84806 0.10614 56 3PX 0.14469 0.19403 -0.05479 0.29404 0.01188 57 3PY 0.04767 -0.58010 -0.55311 0.32571 -0.47921 58 3PZ -0.25473 -0.35680 0.29217 -0.34975 0.39431 59 4XX -0.11305 0.02075 0.37988 -0.07335 0.01830 60 4YY 0.01523 -0.13649 -0.62109 0.20873 -0.18880 61 4ZZ 0.17784 0.14636 0.40274 -0.06822 0.11056 62 4XY -0.17192 0.09195 -0.12153 -0.18454 0.19198 63 4XZ 0.15947 -0.02807 0.01626 0.32841 -0.17645 64 4YZ 0.13662 -0.06806 0.17323 0.19266 -0.25529 65 7 H 1S -0.12436 0.00824 -0.11472 -0.02229 0.08737 66 2S 0.01510 0.03848 0.09167 -0.02744 -0.01895 67 8 H 1S -0.02031 0.10441 -0.12882 -0.01258 0.00531 68 2S -0.00599 0.01912 0.01139 0.04612 -0.15662 69 9 H 1S 0.19713 -0.09419 0.07714 0.11945 -0.00178 70 2S 0.05141 0.32322 -0.18236 -0.03755 -0.07032 71 10 H 1S 0.23328 0.06178 -0.03174 0.12277 0.01997 72 2S -0.02421 -0.32683 0.16861 -0.09889 0.03755 73 11 C 1S 0.00229 0.02777 -0.03216 0.00575 -0.03677 74 2S -0.10083 0.08766 0.01239 0.03226 -0.13360 75 2PX -0.05234 -0.05585 -0.06167 -0.05878 0.03572 76 2PY -0.00340 -0.16620 0.13227 -0.09425 0.23658 77 2PZ -0.04546 0.01098 0.05082 0.04723 -0.02862 78 3S 0.12037 -0.91376 1.14629 -0.22739 1.34475 79 3PX -0.13972 -0.29642 -0.04155 -0.10200 0.19584 80 3PY 0.03208 -0.40470 0.47831 -0.18746 0.72329 81 3PZ 0.21444 -0.00952 0.08440 0.00475 0.14957 82 4XX -0.01308 0.15969 -0.13966 0.09255 -0.27528 83 4YY 0.01960 -0.30906 0.25905 -0.13285 0.46284 84 4ZZ 0.05172 0.13518 -0.13290 0.05014 -0.13856 85 4XY -0.07345 0.01649 0.01241 0.04225 0.04532 86 4XZ -0.11303 -0.11568 -0.08843 -0.06393 0.02871 87 4YZ 0.01216 -0.07732 0.13701 -0.07958 0.16646 88 12 H 1S -0.04229 0.06762 -0.11221 0.03922 -0.12609 89 2S 0.13634 0.02505 0.03214 -0.05160 0.13921 90 13 C 1S -0.00229 -0.02810 0.03200 -0.01300 0.03465 91 2S -0.09201 -0.04544 -0.04525 -0.01527 0.13439 92 2PX -0.08678 0.07576 0.04408 -0.03871 -0.04704 93 2PY 0.02165 -0.17269 0.14135 -0.03850 0.24475 94 2PZ -0.00237 -0.01118 -0.04728 0.03291 0.04490 95 3S 0.21016 0.85403 -1.09563 0.44595 -1.29497 96 3PX 0.03670 0.31142 0.02469 -0.02854 -0.22169 97 3PY 0.01901 -0.39663 0.46955 -0.17475 0.72675 98 3PZ 0.04046 -0.02545 -0.04792 0.06918 -0.11318 99 4XX 0.01598 -0.16461 0.14608 -0.05803 0.27989 100 4YY -0.00591 0.30443 -0.25918 0.11892 -0.47286 101 4ZZ 0.03236 -0.14963 0.14699 -0.02986 0.14561 102 4XY 0.02291 0.00645 0.01298 -0.04803 0.03556 103 4XZ -0.12357 0.14581 0.06253 -0.04777 -0.04065 104 4YZ -0.05756 -0.06022 0.12741 -0.00584 0.16442 105 14 H 1S -0.09699 -0.05730 0.10684 -0.02445 0.13086 106 2S 0.03546 -0.02466 -0.02777 0.00706 -0.14828 107 15 O 1S 0.01164 0.02728 0.00082 0.01367 -0.01694 108 2S 0.18290 0.10022 0.14947 0.05556 -0.17069 109 2PX -0.00791 -0.04525 0.03592 -0.02575 0.02833 110 2PY 0.01710 -0.02979 0.02197 -0.00224 0.01339 111 2PZ -0.00535 -0.00465 -0.01504 0.00699 -0.01020 112 3S -0.66011 -0.53537 -0.35822 -0.27961 0.52255 113 3PX -0.03463 0.15192 -0.14696 -0.00322 -0.18434 114 3PY -0.26489 -0.18067 -0.14091 -0.08715 0.23422 115 3PZ 0.03344 0.07202 0.07521 0.06966 -0.01299 116 4XX 0.06117 0.03099 0.00304 -0.02377 -0.05238 117 4YY -0.14124 -0.08617 -0.01771 0.04895 0.15866 118 4ZZ 0.13863 0.16074 0.01843 0.02782 -0.11753 119 4XY 0.00223 0.10710 -0.03929 -0.01652 -0.12901 120 4XZ -0.00957 0.10419 0.07824 0.10681 -0.08528 121 4YZ 0.02409 0.04925 -0.00096 0.03019 -0.03529 122 16 O 1S 0.01322 -0.03034 0.00189 0.00324 0.01928 123 2S 0.23080 -0.14088 -0.12007 -0.01732 0.18392 124 2PX 0.00208 0.04808 -0.04022 -0.00535 -0.03223 125 2PY -0.02264 -0.02402 0.01614 -0.00645 0.01156 126 2PZ 0.00028 0.00367 0.01654 -0.00172 0.01117 127 3S -0.70674 0.67805 0.24835 -0.02391 -0.58589 128 3PX -0.03323 -0.13830 0.13383 -0.10104 0.16581 129 3PY 0.31977 -0.24214 -0.09058 -0.02765 0.24971 130 3PZ 0.02779 -0.08670 -0.06488 0.06687 0.03799 131 4XX 0.08793 -0.04897 0.00765 -0.05010 0.04238 132 4YY -0.16123 0.11323 0.00331 0.11759 -0.13724 133 4ZZ 0.12748 -0.18467 -0.00173 -0.03308 0.11715 134 4XY -0.00344 0.10179 -0.02611 0.07773 -0.11945 135 4XZ 0.05733 -0.11036 -0.06749 0.06077 0.10655 136 4YZ -0.01383 0.06161 -0.00686 -0.00871 -0.04479 137 17 C 1S -0.01701 0.00139 -0.00086 0.00125 -0.00004 138 2S 0.08520 -0.01087 0.00930 0.00298 0.00555 139 2PX 0.12654 -0.01162 0.00809 -0.00970 0.00068 140 2PY 0.02144 -0.20603 -0.03351 -0.06028 0.24865 141 2PZ -0.05930 0.00393 -0.00381 0.00869 0.00293 142 3S 0.52399 -0.04543 0.02977 0.00431 0.00136 143 3PX 0.25717 -0.02279 0.01194 -0.05354 -0.00869 144 3PY 0.02274 -0.28017 0.03216 -0.07942 0.30596 145 3PZ -0.05646 -0.00037 -0.00154 -0.00085 0.00337 146 4XX 0.12957 -0.01278 0.00802 -0.04832 -0.00799 147 4YY -0.07021 0.00703 -0.00775 0.02944 0.00823 148 4ZZ -0.08017 0.00948 -0.00518 -0.00815 -0.00595 149 4XY 0.03701 -0.24454 -0.02709 -0.07387 0.29646 150 4XZ -0.12490 0.00848 -0.00539 0.02966 0.00759 151 4YZ 0.01452 0.18530 -0.03939 0.04374 -0.17498 152 18 H 1S -0.02325 0.00277 -0.00132 0.00820 0.00158 153 2S -0.02922 0.00389 -0.00330 -0.01754 -0.00297 154 19 H 1S -0.00451 0.00067 -0.00131 0.00110 0.00014 155 2S 0.00192 -0.00138 -0.00058 -0.03083 -0.00470 156 20 C 1S 0.04620 0.09474 -0.01641 -0.02627 0.02753 157 2S 0.06406 0.27963 -0.00995 0.08767 -0.01273 158 2PX -0.06210 -0.01975 0.03310 0.07243 0.00456 159 2PY 0.25156 -0.25093 -0.05574 -0.01519 -0.27277 160 2PZ 0.32111 0.12256 -0.05095 -0.22935 -0.06958 161 3S -1.56256 -4.91509 0.68430 0.97793 -0.46387 162 3PX -0.18348 -0.55628 0.30204 0.05212 0.15765 163 3PY -0.08449 -1.50130 -0.24455 -0.36515 -0.51180 164 3PZ 0.77173 1.71473 -0.52172 -0.40438 -0.20696 165 4XX 0.34103 0.57626 -0.00232 -0.13095 0.14144 166 4YY -0.16768 -0.50729 -0.16942 -0.15026 -0.49939 167 4ZZ -0.19833 -0.08489 0.11198 0.40408 0.38508 168 4XY 0.06629 -0.12366 -0.26387 -0.08544 0.29376 169 4XZ 0.04063 0.27602 -0.33640 -0.24214 0.06686 170 4YZ -0.35842 0.23460 0.23054 0.15017 0.01652 171 21 H 1S -0.06564 0.24792 0.02419 -0.11412 -0.06077 172 2S -0.11883 -0.52864 0.05301 0.09431 0.06054 173 22 C 1S 0.02011 -0.10005 0.01581 -0.02334 -0.03616 174 2S -0.05048 -0.31442 0.05170 0.08832 0.04494 175 2PX -0.05186 0.02420 -0.02410 0.07672 0.02037 176 2PY -0.30014 -0.19242 -0.08882 0.08660 -0.24071 177 2PZ 0.28863 -0.15995 0.03423 -0.24946 -0.02415 178 3S -0.33094 5.04459 -0.61117 1.05204 0.80145 179 3PX -0.04535 0.59187 -0.30566 0.15854 -0.11810 180 3PY -0.13894 -1.50748 -0.16626 0.43678 -0.40799 181 3PZ 0.27726 -1.84061 0.50807 -0.53153 0.03469 182 4XX 0.19027 -0.62204 0.01515 -0.10145 -0.19112 183 4YY -0.08282 0.54558 0.09147 -0.25987 0.45241 184 4ZZ -0.13053 0.09345 -0.03281 0.47222 -0.25613 185 4XY -0.05574 -0.11225 -0.26735 0.06417 0.31993 186 4XZ -0.07727 -0.26908 0.28272 -0.27887 -0.12993 187 4YZ 0.39597 0.18829 0.25011 -0.19624 -0.03533 188 23 H 1S -0.14196 -0.22193 -0.06233 -0.11951 0.03673 189 2S -0.00206 0.54881 -0.04830 0.12898 -0.02498 171 172 173 174 175 V V V V V Eigenvalues -- 2.75462 2.76787 2.80346 2.88866 2.89685 1 1 C 1S -0.06488 0.00341 -0.03717 -0.00877 -0.00638 2 2S -0.71706 0.03773 -0.68750 -0.23743 -0.03021 3 2PX 0.08723 0.00828 0.01381 -0.00899 0.00167 4 2PY -0.01501 0.02393 0.09189 0.01004 0.01582 5 2PZ 0.08806 -0.06882 -0.02857 0.06709 -0.02691 6 3S 3.82207 -0.37852 1.84220 0.73776 0.13212 7 3PX 0.29550 0.02182 -0.26331 -0.09113 0.09554 8 3PY -1.73863 0.21272 -0.94196 -0.35512 -0.06418 9 3PZ 0.05836 -0.21580 0.14122 0.13220 -0.24922 10 4XX -0.06968 0.06607 0.11914 0.00518 0.02706 11 4YY 0.17485 -0.03126 0.00394 0.04095 -0.02936 12 4ZZ 0.09635 -0.07718 0.02632 0.06590 -0.01737 13 4XY -0.14011 -0.02832 0.13945 0.04386 -0.04263 14 4XZ -0.38651 0.05835 -0.05166 -0.01276 -0.00839 15 4YZ -0.14726 0.10427 -0.03869 -0.09274 0.06999 16 2 C 1S 0.05861 -0.00662 0.03557 0.00827 -0.00753 17 2S 0.71444 -0.07672 0.69249 0.23228 -0.04571 18 2PX -0.09648 0.02146 -0.02026 0.00571 -0.00073 19 2PY -0.00168 -0.01912 0.09804 0.01252 -0.01307 20 2PZ -0.06329 -0.04952 0.04154 -0.06559 -0.01567 21 3S -3.62438 0.24481 -1.79457 -0.71560 0.19768 22 3PX -0.30750 0.08226 0.25348 0.09857 0.08199 23 3PY -1.64524 0.07780 -0.91634 -0.34639 0.09565 24 3PZ -0.03978 -0.21476 -0.12303 -0.14636 -0.22253 25 4XX 0.02363 0.05304 -0.14390 -0.01019 0.02658 26 4YY -0.19156 0.00479 -0.00411 -0.03538 -0.02513 27 4ZZ -0.04303 -0.06336 -0.00342 -0.06398 -0.01179 28 4XY -0.16541 0.05748 0.13070 0.04572 0.03735 29 4XZ 0.36186 0.00002 0.04693 0.01238 -0.01181 30 4YZ -0.10523 -0.07973 -0.02121 -0.09406 -0.05550 31 3 C 1S 0.04167 0.00016 0.02615 0.00808 0.00858 32 2S 0.31724 0.02213 0.17819 0.03429 0.07157 33 2PX 0.08701 -0.01658 0.03840 0.02136 -0.00352 34 2PY -0.10373 -0.00100 0.03322 0.01480 -0.02731 35 2PZ -0.13089 0.00967 -0.03021 -0.00537 -0.01508 36 3S -2.33631 0.07892 -1.40348 -0.42121 -0.25924 37 3PX 0.91275 0.03647 0.18193 -0.03999 0.19265 38 3PY 0.08683 -0.03402 0.49182 0.12675 -0.02758 39 3PZ -0.59721 -0.01576 -0.17813 -0.04866 -0.08330 40 4XX -0.11594 0.00560 0.06352 0.00172 -0.02489 41 4YY 0.28281 -0.01347 -0.13646 -0.03292 0.02043 42 4ZZ -0.17470 -0.00816 0.06011 0.04705 -0.00208 43 4XY 0.07269 0.01628 0.01045 -0.00571 0.02309 44 4XZ 0.22750 0.01473 -0.00947 -0.02765 0.04152 45 4YZ -0.05792 -0.00141 0.02293 0.01650 -0.00540 46 4 H 1S 0.16355 0.01154 0.05153 -0.00181 0.03063 47 2S 0.03681 -0.06458 0.02861 0.04445 -0.04269 48 5 H 1S 0.04572 -0.01499 0.03627 0.03870 -0.00324 49 2S -0.07804 -0.02367 0.04459 0.04684 -0.05240 50 6 C 1S -0.04086 0.00731 -0.02694 -0.00753 0.00928 51 2S -0.29534 0.10373 -0.18436 -0.02990 0.09188 52 2PX -0.09710 -0.00186 -0.04043 -0.02227 -0.00017 53 2PY -0.09648 0.01761 0.03358 0.01491 0.02426 54 2PZ 0.12484 -0.01569 0.02720 0.00150 -0.01855 55 3S 2.29697 -0.38290 1.42721 0.39717 -0.33068 56 3PX -0.81430 0.17539 -0.15288 0.05629 0.16415 57 3PY 0.05718 0.02991 0.47742 0.13148 0.02183 58 3PZ 0.61615 -0.07419 0.23022 0.07369 -0.05013 59 4XX 0.10416 -0.01472 -0.06028 -0.00473 -0.02153 60 4YY -0.28717 0.03677 0.13151 0.03405 0.01282 61 4ZZ 0.18683 -0.05366 -0.05692 -0.04571 -0.00661 62 4XY 0.04730 -0.02228 -0.00560 -0.00964 -0.02342 63 4XZ -0.24388 0.05281 0.01089 0.03573 0.03918 64 4YZ -0.08312 0.00707 0.01000 0.00920 0.00486 65 7 H 1S -0.14870 0.05425 -0.03812 0.01038 0.03762 66 2S -0.00098 -0.02369 -0.00621 -0.02795 -0.01321 67 8 H 1S -0.05410 -0.00095 -0.05920 -0.04279 0.00029 68 2S 0.01615 -0.01833 -0.07190 -0.05510 -0.02790 69 9 H 1S 0.12450 -0.02584 -0.00843 0.01670 0.00309 70 2S -0.39425 0.03126 -0.12914 -0.08854 0.03282 71 10 H 1S -0.11650 -0.00578 0.00999 -0.01849 0.00438 72 2S 0.41385 -0.03753 0.13199 0.08941 0.02769 73 11 C 1S 0.01962 0.02369 -0.10064 -0.00281 0.02916 74 2S -0.03054 -0.06619 -0.64291 -0.21317 -0.19513 75 2PX 0.04380 0.22201 -0.25056 -0.12381 0.32987 76 2PY -0.26015 0.19800 0.24526 -0.23320 0.10412 77 2PZ 0.00623 -0.18348 0.02185 0.06682 -0.23274 78 3S -0.64314 -0.55620 5.70596 0.62507 -0.98751 79 3PX -0.11510 0.23126 -0.84165 -0.11308 0.41316 80 3PY -0.63944 0.21506 2.17625 0.18187 0.29612 81 3PZ 0.14252 -0.24178 2.00028 0.38670 -0.35092 82 4XX 0.38337 -0.00464 -0.14656 0.15875 -0.24359 83 4YY -0.59656 -0.00273 0.44167 -0.44901 0.22264 84 4ZZ 0.10221 0.01430 -0.14335 0.31282 -0.05575 85 4XY -0.06628 -0.21458 -0.02736 -0.44457 -0.13763 86 4XZ 0.11279 0.20826 -0.36340 -0.18517 0.38845 87 4YZ -0.19813 0.25073 0.20848 0.53446 0.08341 88 12 H 1S 0.18220 -0.05845 -0.15365 -0.31868 0.05666 89 2S -0.18075 0.06232 0.66928 0.26258 0.00235 90 13 C 1S -0.01421 0.02735 0.10039 0.00439 0.02860 91 2S -0.01467 -0.05508 0.62404 0.19266 -0.20762 92 2PX -0.01242 0.23560 0.24049 0.14122 0.32202 93 2PY -0.28770 -0.15335 0.25186 -0.23503 -0.08552 94 2PZ -0.04618 -0.18669 -0.01459 -0.08437 -0.23084 95 3S 0.56334 -0.73872 -5.67264 -0.66485 -0.93787 96 3PX 0.16995 0.23204 0.84017 0.13465 0.40914 97 3PY -0.65821 -0.08774 2.21915 0.17332 -0.30917 98 3PZ -0.20041 -0.24403 -1.95086 -0.39834 -0.32619 99 4XX -0.37498 0.04789 0.14951 -0.16939 -0.23534 100 4YY 0.60747 -0.08333 -0.44259 0.44343 0.20139 101 4ZZ -0.10316 0.01925 0.15215 -0.29618 -0.04233 102 4XY -0.02744 0.21655 -0.03500 -0.44259 0.15398 103 4XZ -0.08191 0.24045 0.35545 0.19526 0.38008 104 4YZ -0.22647 -0.21408 0.19909 0.54711 -0.10811 105 14 H 1S -0.19314 -0.02634 0.15180 0.32183 0.03720 106 2S 0.17405 0.03569 -0.67496 -0.26675 0.02677 107 15 O 1S 0.01060 -0.05004 0.04057 -0.02597 0.00177 108 2S 0.23555 -0.36992 0.95054 0.06724 -0.02403 109 2PX -0.01738 -0.00503 0.05370 0.02908 -0.04245 110 2PY -0.01751 0.07353 0.04060 0.03810 0.04349 111 2PZ 0.01726 -0.00820 -0.00640 -0.01971 0.02995 112 3S -0.71518 1.49257 -3.22604 0.02920 0.05539 113 3PX 0.16045 0.19563 -0.49809 -0.30056 1.17862 114 3PY -0.27016 0.23334 -1.10184 -0.08142 -0.39120 115 3PZ -0.02520 -0.20803 0.26127 0.12254 -0.74782 116 4XX 0.08471 0.43443 -0.08763 -0.00363 0.12880 117 4YY -0.22313 -0.48010 -0.28560 -0.17593 -0.27902 118 4ZZ 0.08600 -0.16007 0.40147 -0.00011 0.22395 119 4XY 0.20203 -0.18056 0.17552 -0.43331 0.74477 120 4XZ 0.00424 -0.50736 0.22854 -0.16717 -0.26566 121 4YZ 0.01949 0.04203 -0.03755 0.25329 -0.43844 122 16 O 1S -0.01853 -0.04934 -0.03954 0.02635 0.00035 123 2S -0.28289 -0.35359 -0.93612 -0.06283 -0.01975 124 2PX 0.01721 -0.00741 -0.05290 -0.03161 -0.04053 125 2PY -0.02949 -0.06897 0.04129 0.03497 -0.04643 126 2PZ -0.01828 -0.00663 0.00773 0.02225 0.02822 127 3S 0.92352 1.44622 3.17841 -0.04494 0.05444 128 3PX -0.12143 0.22592 0.49414 0.36572 1.15745 129 3PY -0.29091 -0.21377 -1.08293 -0.04888 0.41406 130 3PZ -0.02134 -0.22279 -0.27928 -0.16505 -0.73308 131 4XX -0.00871 0.43998 0.07854 0.01124 0.13136 132 4YY 0.12988 -0.49635 0.29212 0.14824 -0.30574 133 4ZZ -0.10396 -0.15812 -0.39586 0.02470 0.23815 134 4XY 0.22232 0.16315 0.17409 -0.48069 -0.71153 135 4XZ -0.08587 -0.50591 -0.21493 0.14433 -0.28965 136 4YZ 0.01990 -0.05095 -0.02141 0.28234 0.41095 137 17 C 1S 0.00160 0.02967 -0.00064 -0.00242 -0.07558 138 2S -0.00163 -0.04931 0.00210 0.00943 0.24733 139 2PX -0.00376 -0.10865 0.00397 0.01295 0.40987 140 2PY -0.32055 0.01549 -0.68713 0.28826 -0.00621 141 2PZ -0.00304 0.03208 -0.00777 -0.00173 -0.13353 142 3S -0.04403 -0.80502 0.01587 0.06477 2.08935 143 3PX 0.01132 -0.01860 0.00519 0.01452 0.48047 144 3PY -0.35797 0.02065 -0.41683 0.31180 -0.00670 145 3PZ -0.00462 -0.00415 -0.00496 -0.00069 -0.13891 146 4XX 0.04480 0.48795 -0.00197 -0.00592 -0.14600 147 4YY -0.06482 -0.72902 0.00126 0.01849 0.57236 148 4ZZ 0.02569 0.30868 -0.00051 -0.01438 -0.44967 149 4XY -0.37518 0.02257 -0.64544 0.27659 -0.00837 150 4XZ -0.01482 -0.07780 -0.00718 0.00136 -0.03940 151 4YZ 0.21053 -0.02355 0.24182 0.02163 0.01089 152 18 H 1S -0.00660 -0.06377 0.00036 0.00048 0.01018 153 2S 0.01357 0.18094 -0.00195 -0.00595 -0.17240 154 19 H 1S -0.00788 -0.09553 0.00075 -0.00140 -0.05691 155 2S 0.01729 0.18950 -0.00143 -0.00405 -0.12881 156 20 C 1S -0.03789 -0.00338 0.00518 -0.00273 -0.00555 157 2S -0.23166 -0.05530 0.24291 0.03294 0.00765 158 2PX 0.00756 0.01511 -0.00341 0.01006 -0.00810 159 2PY -0.08882 -0.04019 0.01307 -0.06689 0.00072 160 2PZ -0.11481 -0.03292 -0.08268 -0.06183 -0.01577 161 3S 2.91139 0.03964 0.50609 0.35033 0.13520 162 3PX 0.50322 -0.02939 0.19787 0.09225 0.00791 163 3PY 0.57826 -0.08409 -0.05610 -0.11583 -0.06177 164 3PZ -1.44959 -0.03627 -0.26531 -0.30503 -0.04312 165 4XX -0.17684 -0.02192 -0.04334 -0.01563 -0.01517 166 4YY -0.14373 0.01809 0.04074 -0.10539 -0.01595 167 4ZZ 0.29986 0.05408 -0.04910 0.10210 0.02212 168 4XY 0.18393 -0.03073 0.14499 0.00323 -0.00828 169 4XZ -0.07705 0.00062 0.02885 -0.02761 0.00458 170 4YZ -0.07179 0.06193 -0.03785 0.04228 0.02164 171 21 H 1S -0.10578 0.01199 -0.00554 -0.00119 -0.00172 172 2S 0.35703 -0.00450 0.06370 0.05025 0.00668 173 22 C 1S 0.04165 -0.01088 -0.00346 0.00280 -0.00610 174 2S 0.22845 -0.09937 -0.23004 -0.02408 0.00781 175 2PX -0.01380 0.01694 0.00107 -0.01042 -0.00678 176 2PY -0.11949 0.05925 -0.00218 -0.07141 0.01057 177 2PZ 0.14914 -0.05427 0.09409 0.05993 -0.02342 178 3S -3.04720 0.56683 -0.57143 -0.35723 0.17482 179 3PX -0.53204 0.06628 -0.21041 -0.09673 0.02160 180 3PY 0.53482 -0.02206 -0.06646 -0.11658 0.08476 181 3PZ 1.54088 -0.30295 0.30557 0.31194 -0.08527 182 4XX 0.20283 -0.05518 0.05311 0.01655 -0.01801 183 4YY 0.14350 -0.00432 -0.04294 0.10042 -0.03116 184 4ZZ -0.33425 0.10689 0.03274 -0.10254 0.03864 185 4XY 0.17174 0.00891 0.14066 0.00153 0.00889 186 4XZ 0.09936 -0.01929 -0.01685 0.03172 0.00008 187 4YZ -0.02464 -0.06306 -0.02360 0.04822 -0.03593 188 23 H 1S 0.10392 -0.00191 0.00476 0.00138 -0.00004 189 2S -0.37814 0.06291 -0.07573 -0.05496 0.01342 176 177 178 179 180 V V V V V Eigenvalues -- 2.94333 3.13281 3.13756 4.01209 4.12327 1 1 C 1S 0.00604 -0.05095 -0.02456 0.02112 0.01474 2 2S -0.09978 -0.38848 0.28032 -0.33849 -0.58216 3 2PX 0.12237 0.01184 -0.02261 -0.00051 0.00673 4 2PY 0.13200 0.00194 -0.09338 0.01507 0.01348 5 2PZ -0.30926 0.09231 0.18252 0.01040 0.02384 6 3S -0.68835 2.19385 0.54497 0.32567 1.33303 7 3PX 0.58079 0.07878 0.23434 0.02533 -0.03336 8 3PY 0.19992 -1.01462 -0.17426 -0.21522 -0.81897 9 3PZ -1.31083 -0.08823 0.09596 -0.15557 -0.02827 10 4XX 0.20228 0.04658 -0.10034 0.15098 0.20328 11 4YY -0.07645 -0.26375 -0.39394 0.11809 0.18281 12 4ZZ -0.20445 0.30196 0.35814 0.14892 0.22055 13 4XY -0.23926 0.02428 0.00154 -0.00187 0.01485 14 4XZ -0.07123 -0.24987 -0.29730 -0.01491 -0.07043 15 4YZ 0.56901 0.00210 -0.01736 0.02078 -0.01379 16 2 C 1S -0.00675 0.04943 0.02550 0.02091 0.01450 17 2S 0.10132 0.38463 -0.29812 -0.35920 0.37726 18 2PX -0.12079 -0.01277 0.02122 -0.00010 -0.00940 19 2PY 0.12532 0.00368 -0.09044 -0.01595 -0.00609 20 2PZ 0.30987 -0.08947 -0.18220 0.01105 -0.04168 21 3S 0.71042 -2.13130 -0.52652 0.36910 -1.30370 22 3PX -0.58232 -0.07415 -0.21364 0.02683 0.02292 23 3PY 0.19487 -0.97533 -0.17695 0.24409 -0.75399 24 3PZ 1.32596 0.06866 -0.12652 -0.13644 0.02022 25 4XX -0.20266 -0.05888 0.10808 0.16055 -0.10084 26 4YY 0.05176 0.26116 0.40442 0.12313 -0.06160 27 4ZZ 0.22629 -0.28997 -0.36116 0.15251 -0.13038 28 4XY -0.24234 0.01660 -0.00086 0.00318 0.00247 29 4XZ 0.05998 0.24505 0.29827 -0.01932 0.09161 30 4YZ 0.56551 0.02001 -0.00135 -0.02024 -0.01454 31 3 C 1S 0.00093 0.04156 0.02015 -0.00160 0.01453 32 2S -0.02969 0.24464 -0.12202 0.13012 0.34609 33 2PX 0.07511 0.05341 0.06874 0.00960 -0.00758 34 2PY -0.12550 -0.03333 -0.04001 -0.02739 0.00428 35 2PZ -0.09082 -0.07724 -0.05160 -0.01994 -0.04561 36 3S -0.16161 -1.84441 -0.25605 -0.24351 -1.25003 37 3PX 0.50324 0.61364 -0.05113 0.17564 0.63347 38 3PY -0.74562 0.31878 -0.12082 -0.01142 0.38995 39 3PZ -0.27071 -0.29564 -0.06051 -0.07948 -0.15367 40 4XX -0.19327 -0.01940 -0.00226 -0.05891 -0.05652 41 4YY 0.36620 -0.02625 -0.00207 -0.02124 -0.10660 42 4ZZ -0.18096 0.04143 0.12856 -0.04720 -0.07373 43 4XY 0.07304 0.14454 0.19636 0.01818 0.00886 44 4XZ 0.22234 0.10209 0.08040 0.04063 0.05455 45 4YZ -0.09304 -0.10260 -0.17663 -0.00084 -0.00408 46 4 H 1S 0.01089 0.09037 -0.07332 0.03285 0.11448 47 2S 0.03262 0.03472 0.12437 -0.03110 -0.02673 48 5 H 1S -0.00431 0.00924 -0.00231 -0.00052 -0.00754 49 2S -0.04206 -0.05036 0.06434 -0.04121 -0.16444 50 6 C 1S -0.00115 -0.04018 -0.01747 -0.00585 0.04100 51 2S 0.02762 -0.24499 0.13337 0.18072 -0.68688 52 2PX -0.07773 -0.05780 -0.07104 0.01647 0.00523 53 2PY -0.12479 -0.03057 -0.04344 0.02514 0.00196 54 2PZ 0.08498 0.07788 0.05028 -0.02090 0.05204 55 3S 0.17047 1.82783 0.17957 -0.28671 1.08278 56 3PX -0.48316 -0.55256 0.05767 0.13570 -0.59252 57 3PY -0.76181 0.30539 -0.09341 0.01209 0.38017 58 3PZ 0.24355 0.30664 0.07564 -0.09377 0.13250 59 4XX 0.18822 0.02649 0.01090 -0.08393 0.27747 60 4YY -0.36451 0.03382 0.01870 -0.04607 0.29747 61 4ZZ 0.18421 -0.04903 -0.14934 -0.06817 0.29044 62 4XY 0.07720 0.12816 0.20266 -0.01819 -0.00699 63 4XZ -0.22075 -0.10566 -0.07313 0.04268 -0.06141 64 4YZ -0.09671 -0.11201 -0.18363 0.00343 -0.00175 65 7 H 1S -0.03232 -0.06346 0.10491 0.03131 -0.12290 66 2S -0.02273 -0.02882 -0.10371 -0.03149 0.05548 67 8 H 1S 0.01176 -0.02513 0.01273 0.00970 -0.02797 68 2S 0.02169 0.01516 -0.05478 -0.00743 0.19461 69 9 H 1S -0.01808 -0.10783 -0.17889 -0.01601 -0.00740 70 2S 0.04961 -0.12203 0.07665 0.10537 -0.17636 71 10 H 1S 0.02244 0.10972 0.17265 -0.01636 -0.00817 72 2S -0.04386 0.13464 -0.07726 0.09879 0.22645 73 11 C 1S 0.00331 -0.05697 0.03248 -0.00065 0.11688 74 2S 0.00637 -0.14087 0.13287 0.17172 -1.05511 75 2PX -0.01836 -0.31581 0.24838 0.07038 -0.16408 76 2PY -0.02026 -0.19745 0.12996 0.03956 0.09238 77 2PZ 0.01038 0.17356 -0.10830 0.02231 0.06475 78 3S -0.24624 2.81596 -1.82474 -1.00633 2.78189 79 3PX 0.17511 -0.90805 0.67616 0.35017 -1.38979 80 3PY -0.16151 0.38185 -0.17491 0.06659 0.58202 81 3PZ -0.15634 1.48861 -1.09431 -0.45776 1.66807 82 4XX 0.01615 0.21624 -0.15103 0.00451 0.59684 83 4YY -0.04634 -0.19756 0.11764 -0.02862 0.64072 84 4ZZ 0.02706 -0.01027 -0.03713 0.00131 0.52447 85 4XY -0.08305 0.36496 -0.28406 0.07713 -0.00181 86 4XZ -0.00658 -0.38754 0.30722 0.05694 -0.15424 87 4YZ 0.10849 -0.29097 0.19672 -0.07146 0.01328 88 12 H 1S -0.08686 0.14444 -0.08491 0.08746 -0.03318 89 2S -0.02323 0.21783 -0.19620 -0.08678 0.52249 90 13 C 1S -0.00379 0.05839 -0.03217 0.00282 -0.05147 91 2S -0.00575 0.12312 -0.13695 0.13473 0.64097 92 2PX 0.01193 0.31297 -0.24712 0.06386 0.14575 93 2PY -0.01842 -0.19292 0.12701 -0.04491 0.11678 94 2PZ -0.00623 -0.17781 0.11056 0.02393 -0.05192 95 3S 0.27182 -2.81546 1.82890 -0.90679 -2.97677 96 3PX -0.18344 0.92202 -0.67907 0.32783 1.41430 97 3PY -0.15522 0.41237 -0.19708 -0.08599 0.60077 98 3PZ 0.15773 -1.49226 1.08900 -0.42008 -1.66903 99 4XX -0.01110 -0.21297 0.15219 0.02246 -0.33062 100 4YY 0.03991 0.21648 -0.12367 -0.00821 -0.40578 101 4ZZ -0.02259 0.00424 0.04525 0.01947 -0.26476 102 4XY -0.08688 0.35732 -0.27794 -0.07801 -0.01407 103 4XZ -0.00372 0.39578 -0.31194 0.05127 0.14520 104 4YZ 0.11238 -0.28831 0.19192 0.06757 0.01036 105 14 H 1S 0.08673 -0.14638 0.08667 0.08110 0.00550 106 2S 0.01542 -0.22670 0.18616 -0.06928 -0.46440 107 15 O 1S -0.00812 -0.00893 0.00077 -0.40078 0.39354 108 2S -0.02603 0.40683 -0.28090 -0.41086 0.62507 109 2PX 0.02270 0.01443 -0.00390 -0.04746 0.03953 110 2PY -0.00440 -0.02556 0.02032 -0.14301 0.16272 111 2PZ -0.01020 0.02047 -0.01391 0.04323 -0.03365 112 3S 0.22330 -1.36447 1.01220 4.90008 -5.45046 113 3PX -0.01881 -1.28620 0.92675 0.12580 -0.83331 114 3PY 0.06039 -0.02966 0.01263 0.99020 -0.87241 115 3PZ -0.00912 0.70525 -0.51797 -0.16391 0.60297 116 4XX 0.00123 -0.37685 0.26216 -1.28886 1.11972 117 4YY -0.03801 0.27740 -0.21499 -1.19711 1.23375 118 4ZZ -0.00689 -0.20072 0.12126 -1.36182 1.34500 119 4XY -0.04443 -0.40060 0.29174 -0.08830 -0.15298 120 4XZ -0.03403 0.35948 -0.27138 -0.09078 0.25095 121 4YZ 0.03122 0.21822 -0.15096 0.00692 0.12222 122 16 O 1S 0.00834 0.00912 -0.00038 -0.38687 -0.40079 123 2S 0.02973 -0.40863 0.28008 -0.39386 -0.62304 124 2PX -0.02217 -0.01435 0.00301 -0.04607 -0.05747 125 2PY -0.00356 -0.02537 0.01944 0.13591 0.16493 126 2PZ 0.00967 -0.02029 0.01424 0.04511 0.04436 127 3S -0.23623 1.36953 -1.01512 4.72889 5.51107 128 3PX -0.00110 1.29295 -0.92323 0.10597 0.84735 129 3PY 0.05594 -0.01135 0.00196 -0.95755 -0.84607 130 3PZ 0.02396 -0.71115 0.51782 -0.16820 -0.60940 131 4XX -0.00466 0.38031 -0.26146 -1.24817 -1.15954 132 4YY 0.04277 -0.28700 0.22178 -1.15326 -1.25938 133 4ZZ 0.00468 0.20910 -0.12501 -1.31325 -1.37766 134 4XY -0.03564 -0.39458 0.28337 0.09429 -0.13124 135 4XZ 0.04028 -0.36866 0.27691 -0.08128 -0.23041 136 4YZ 0.02580 0.20759 -0.14178 -0.00710 0.10870 137 17 C 1S 0.00043 -0.00018 -0.00009 -0.12385 -0.01319 138 2S -0.00132 -0.00201 0.00170 0.95492 0.05482 139 2PX -0.00259 0.00017 0.00084 -0.16554 -0.00140 140 2PY 0.05147 0.26393 -0.19056 -0.00040 -0.05078 141 2PZ 0.00106 0.00240 -0.00215 0.08557 0.00006 142 3S -0.01295 0.00884 0.00164 -2.06869 0.08423 143 3PX -0.00266 0.00295 -0.00002 -0.78652 0.01908 144 3PY 0.04764 0.67858 -0.48516 0.00532 -0.38310 145 3PZ 0.00214 0.00495 -0.00389 0.18791 -0.02439 146 4XX 0.00014 -0.00008 -0.00020 -0.59052 -0.04175 147 4YY -0.00292 0.00417 -0.00217 -0.37834 -0.04282 148 4ZZ 0.00259 -0.00288 0.00120 -0.54345 -0.04718 149 4XY 0.03209 0.33977 -0.24645 -0.00242 0.10905 150 4XZ 0.00033 0.00284 -0.00223 0.03176 -0.00542 151 4YZ 0.00783 -0.15028 0.11012 0.00227 -0.00786 152 18 H 1S -0.00012 -0.00044 0.00005 0.24383 0.00394 153 2S 0.00048 0.00013 -0.00088 0.04112 -0.00713 154 19 H 1S 0.00083 -0.00048 -0.00003 0.21768 0.00054 155 2S 0.00093 0.00012 -0.00025 -0.05404 -0.01385 156 20 C 1S 0.00196 -0.03090 -0.04586 0.01046 0.05466 157 2S -0.01531 0.24826 -0.00309 -0.10157 -0.50314 158 2PX -0.06447 0.00014 0.00438 -0.01579 0.03316 159 2PY 0.40518 0.03636 0.05307 -0.00504 0.01353 160 2PZ 0.25028 -0.10022 -0.06196 0.02300 -0.04999 161 3S -0.21763 1.25312 1.32500 -0.07939 0.88199 162 3PX -0.16170 0.32401 0.16636 -0.02108 0.10392 163 3PY 1.37334 0.27775 0.36108 0.00382 0.27546 164 3PZ 0.98630 -0.56978 -0.51564 0.04653 -0.47171 165 4XX -0.00462 -0.21949 -0.25175 0.06127 0.18826 166 4YY 0.65142 0.19775 0.29527 0.04341 0.33292 167 4ZZ -0.62928 -0.13995 -0.09748 0.01692 0.30988 168 4XY 0.13545 -0.04291 -0.15188 -0.01332 -0.00146 169 4XZ 0.18864 0.04600 0.07481 0.02802 -0.03341 170 4YZ -0.35209 0.41679 0.59468 -0.00432 0.02968 171 21 H 1S 0.00521 0.19214 0.23404 0.00844 -0.03937 172 2S -0.02160 0.06160 -0.00009 -0.00222 0.16394 173 22 C 1S -0.00165 0.03146 0.04593 0.01106 0.00719 174 2S 0.01629 -0.24232 0.00323 -0.11141 0.07923 175 2PX 0.06329 -0.00035 -0.00413 -0.01434 -0.03773 176 2PY 0.40774 0.02708 0.05312 0.00387 0.02837 177 2PZ -0.24045 0.10598 0.06063 0.02124 0.05496 178 3S 0.19732 -1.28269 -1.30664 -0.04190 -1.05054 179 3PX 0.15643 -0.33444 -0.17098 -0.01635 -0.09629 180 3PY 1.39138 0.27270 0.35963 -0.00251 0.25118 181 3PZ -0.94992 0.60027 0.51992 0.02620 0.47806 182 4XX 0.00622 0.22340 0.25128 0.06325 0.05552 183 4YY -0.63959 -0.21421 -0.31364 0.04844 -0.10592 184 4ZZ 0.61617 0.14771 0.11805 0.02359 -0.06478 185 4XY 0.14092 -0.04307 -0.14866 0.01257 -0.00288 186 4XZ -0.18687 -0.04515 -0.07691 0.02696 0.03040 187 4YZ -0.37877 0.41441 0.58211 0.00441 0.02838 188 23 H 1S -0.00583 -0.19390 -0.23426 0.00668 0.01434 189 2S 0.02038 -0.07118 -0.00270 0.00102 -0.10851 181 182 183 184 185 V V V V V Eigenvalues -- 4.12804 4.22326 4.28844 4.36077 4.37940 1 1 C 1S -0.10321 -0.11054 0.00459 0.04110 0.19208 2 2S 0.54657 0.56561 -0.04677 -0.10185 -0.71567 3 2PX 0.02316 0.05639 0.00882 0.00261 -0.02405 4 2PY -0.04568 0.03594 -0.02491 0.01913 -0.05024 5 2PZ 0.05885 -0.12084 0.04232 -0.05843 -0.08284 6 3S 0.46426 0.57552 -0.19115 -0.06691 -1.36604 7 3PX 0.02110 -0.18041 -0.07805 0.09873 -0.07457 8 3PY -0.16263 -0.05514 0.00637 -0.00457 0.64684 9 3PZ -0.06839 0.22068 0.05746 0.09769 -0.03176 10 4XX -0.33361 -0.33514 0.03008 0.07823 0.66851 11 4YY -0.38469 -0.45142 0.02490 0.14865 0.61332 12 4ZZ -0.25386 -0.45685 0.09099 0.03837 0.52719 13 4XY -0.02815 -0.04257 0.02557 -0.03240 0.02093 14 4XZ -0.08807 -0.01759 -0.01771 -0.00835 0.10791 15 4YZ -0.00987 0.11280 -0.04865 0.03426 0.03238 16 2 C 1S -0.10153 -0.11175 0.00899 0.02525 -0.20918 17 2S 0.70704 0.56609 -0.07901 -0.00308 0.79742 18 2PX 0.01773 0.05628 0.00933 -0.00088 0.02394 19 2PY 0.04632 -0.03321 0.02480 -0.02083 -0.05524 20 2PZ 0.04662 -0.12324 0.04100 -0.05102 0.08197 21 3S -0.01999 0.59683 -0.17015 -0.08804 1.48032 22 3PX 0.03039 -0.18411 -0.06695 0.07872 0.07227 23 3PY -0.12632 0.05408 0.01167 -0.03240 0.67524 24 3PZ -0.05154 0.20805 0.06075 0.10135 0.05687 25 4XX -0.37880 -0.33743 0.04995 0.00901 -0.72611 26 4YY -0.42139 -0.44998 0.04093 0.08951 -0.67973 27 4ZZ -0.31439 -0.46511 0.11221 -0.02210 -0.58583 28 4XY 0.03209 0.04305 -0.02324 0.02658 0.02020 29 4XZ -0.05616 -0.01712 -0.02070 -0.00314 -0.10506 30 4YZ 0.00306 -0.11450 0.04669 -0.02712 0.03332 31 3 C 1S -0.16823 -0.27274 -0.01213 0.03377 0.14627 32 2S 1.14830 1.42666 0.06937 -0.17502 -0.92465 33 2PX -0.00314 0.03292 0.00355 -0.03205 -0.03418 34 2PY -0.02650 -0.00371 -0.00621 -0.00002 -0.04707 35 2PZ -0.00669 -0.01529 0.01511 -0.02656 0.00194 36 3S 0.23725 1.15735 0.16245 -0.13069 -0.19094 37 3PX 0.19162 -0.11087 -0.04044 0.09406 -0.09572 38 3PY 0.10658 0.08702 0.05196 -0.01024 -0.05172 39 3PZ -0.08976 -0.00107 -0.02537 0.09597 0.29992 40 4XX -0.70136 -1.04475 -0.03924 0.12058 0.58502 41 4YY -0.61486 -0.90028 -0.04228 0.11264 0.66597 42 4ZZ -0.69040 -1.01444 -0.05098 0.12493 0.54608 43 4XY -0.00308 -0.02724 -0.00153 0.01438 0.02213 44 4XZ 0.00975 -0.03106 0.01103 -0.01055 0.02311 45 4YZ 0.00960 0.00914 0.00323 -0.00797 -0.02874 46 4 H 1S 0.08541 0.06114 -0.00460 0.00586 -0.02581 47 2S -0.16205 -0.29160 -0.06158 0.12690 0.19957 48 5 H 1S 0.07006 0.09990 -0.00483 -0.01787 -0.08389 49 2S -0.21960 -0.24098 0.00631 -0.04832 0.15554 50 6 C 1S -0.15965 -0.27547 -0.01371 0.03993 -0.14582 51 2S 0.93435 1.44102 0.09628 -0.25025 0.92127 52 2PX -0.00535 0.02551 0.00422 -0.03251 0.02974 53 2PY 0.02944 0.00295 0.00617 -0.00033 -0.04553 54 2PZ 0.00771 -0.02362 0.01531 -0.02716 -0.00103 55 3S 0.65303 1.17026 0.13183 -0.09249 0.17716 56 3PX -0.00807 -0.02550 -0.03226 0.05423 0.12460 57 3PY 0.02534 -0.07718 -0.05488 0.01258 -0.05378 58 3PZ -0.01201 0.06587 -0.04728 0.14366 -0.31870 59 4XX -0.61756 -1.03638 -0.05383 0.15664 -0.57680 60 4YY -0.52402 -0.91203 -0.05370 0.15020 -0.66319 61 4ZZ -0.61772 -1.04229 -0.06083 0.16480 -0.54607 62 4XY 0.00556 0.02461 0.00067 -0.01019 0.02437 63 4XZ -0.01019 -0.03014 0.01170 -0.01386 -0.03005 64 4YZ -0.00804 -0.00813 -0.00128 0.00306 -0.03155 65 7 H 1S 0.04654 0.08246 -0.00352 -0.00582 0.02375 66 2S -0.14164 -0.26143 -0.06341 0.14158 -0.20748 67 8 H 1S 0.06109 0.07401 0.00350 -0.02532 0.08377 68 2S -0.16780 -0.27399 0.00982 -0.04928 -0.16597 69 9 H 1S 0.05851 0.04685 0.00764 -0.01843 0.08596 70 2S -0.12107 -0.12705 0.02136 0.02263 0.04693 71 10 H 1S 0.06006 0.04781 0.00819 -0.02210 -0.07898 72 2S -0.04761 -0.12465 0.01296 0.04317 -0.05603 73 11 C 1S -0.16570 0.10162 0.09104 -0.27785 -0.11230 74 2S 1.04247 -0.55642 -0.33252 1.47072 0.92210 75 2PX 0.02869 -0.00612 -0.00618 0.02131 0.01394 76 2PY 0.09299 -0.05326 0.01823 0.04497 -0.08701 77 2PZ -0.01458 -0.00113 0.03065 -0.09372 -0.01795 78 3S 0.82899 -0.36307 -0.20199 1.14086 0.42003 79 3PX -0.22263 -0.20138 0.06066 0.03678 -0.26714 80 3PY 0.06696 0.09150 -0.20262 -0.04299 -0.03467 81 3PZ 0.19901 0.14581 -0.12404 0.19261 -0.06660 82 4XX -0.66522 0.37597 0.27380 -1.09668 -0.55715 83 4YY -0.56429 0.35036 0.26274 -0.95690 -0.62596 84 4ZZ -0.65924 0.40577 0.32289 -1.07021 -0.50491 85 4XY -0.02225 0.03297 0.01096 -0.03526 -0.03358 86 4XZ 0.00741 -0.05177 0.02807 0.05869 0.00996 87 4YZ 0.00183 -0.01980 0.02156 -0.00295 0.00400 88 12 H 1S 0.08058 -0.01579 -0.07938 0.09812 0.05175 89 2S -0.09853 0.24179 -0.01576 -0.23848 -0.12708 90 13 C 1S -0.19493 0.09898 0.08990 -0.27320 0.12700 91 2S 1.33932 -0.53868 -0.32161 1.42896 -0.99143 92 2PX 0.08102 -0.00634 -0.00575 0.02236 -0.01432 93 2PY -0.05631 0.05556 -0.01788 -0.04660 -0.08718 94 2PZ -0.03655 -0.00255 0.03028 -0.09575 0.02249 95 3S -0.14122 -0.34280 -0.21058 1.12067 -0.47279 96 3PX 0.24366 -0.20777 0.07305 0.03293 0.25737 97 3PY 0.12631 -0.10850 0.20111 0.04155 -0.02685 98 3PZ -0.35893 0.16896 -0.13312 0.20802 0.04759 99 4XX -0.82748 0.36508 0.26681 -1.07161 0.61251 100 4YY -0.74614 0.33596 0.25758 -0.93118 0.67417 101 4ZZ -0.79752 0.39582 0.31653 -1.04801 0.56009 102 4XY 0.01934 -0.03022 -0.01099 0.03164 -0.03732 103 4XZ 0.05768 -0.05218 0.02965 0.05729 -0.01592 104 4YZ 0.00370 0.01829 -0.02389 0.00742 0.00582 105 14 H 1S 0.08822 -0.01489 -0.08105 0.10020 -0.05582 106 2S -0.25473 0.26554 -0.01489 -0.23513 0.12213 107 15 O 1S 0.03412 0.02657 0.08777 0.06323 0.09697 108 2S 0.02691 0.07057 -0.02951 0.03761 0.08219 109 2PX 0.05232 -0.03079 -0.04062 0.03488 0.03864 110 2PY 0.01587 0.00907 0.06759 0.06131 0.05444 111 2PZ -0.01956 0.00803 0.01312 -0.02877 -0.01860 112 3S -0.37745 -0.49400 -0.93494 -0.90729 -1.09441 113 3PX -0.12655 -0.04440 -0.04943 -0.07196 0.00067 114 3PY 0.02786 -0.13574 0.07111 -0.02705 -0.12428 115 3PZ 0.02747 0.05705 0.06275 -0.04205 0.01813 116 4XX 0.13838 0.04717 0.32250 0.30895 0.35670 117 4YY 0.10876 0.09121 0.51771 0.27330 0.32985 118 4ZZ 0.15171 0.06628 0.22803 0.25046 0.35952 119 4XY 0.02202 -0.05007 -0.18251 -0.03465 0.02580 120 4XZ -0.04045 0.05317 -0.02680 -0.12380 -0.04002 121 4YZ -0.02693 0.03537 0.07553 -0.03719 -0.02012 122 16 O 1S -0.09727 0.02902 0.08739 0.05628 -0.09876 123 2S -0.18265 0.07327 -0.03235 0.03245 -0.08388 124 2PX 0.03620 -0.02999 -0.03979 0.03139 -0.04068 125 2PY 0.03850 -0.01047 -0.06819 -0.05657 0.05659 126 2PZ -0.00638 0.00760 0.01219 -0.02967 0.02115 127 3S 1.44561 -0.52781 -0.91873 -0.84115 1.12390 128 3PX 0.15793 -0.04841 -0.04406 -0.07084 0.00012 129 3PY -0.31199 0.13921 -0.07421 0.01828 -0.12796 130 3PZ -0.18042 0.05921 0.05562 -0.03845 -0.01490 131 4XX -0.23697 0.05478 0.32177 0.28408 -0.36774 132 4YY -0.30528 0.10042 0.52001 0.24873 -0.33430 133 4ZZ -0.29635 0.07489 0.22536 0.22514 -0.37030 134 4XY -0.06802 0.04909 0.18167 0.03755 0.02507 135 4XZ -0.12279 0.05300 -0.02496 -0.12157 0.04771 136 4YZ 0.06491 -0.03422 -0.06829 0.03643 -0.02244 137 17 C 1S 0.06689 -0.06088 -0.42870 -0.17059 0.00208 138 2S -0.26388 0.30942 2.39316 1.13067 -0.01607 139 2PX -0.01404 -0.00822 -0.14983 -0.06992 0.00041 140 2PY -0.00870 0.00024 -0.00108 -0.00007 -0.00584 141 2PZ 0.00859 -0.01781 0.07133 0.00901 -0.00040 142 3S -0.73966 0.52620 2.26282 0.82225 -0.01062 143 3PX -0.18570 0.12231 0.01949 -0.02577 0.00142 144 3PY -0.06382 0.00171 0.00214 -0.00774 -0.17675 145 3PZ 0.13404 0.02811 -0.14133 0.17666 -0.00368 146 4XX 0.19900 -0.22403 -1.67913 -0.75698 0.01001 147 4YY 0.23753 -0.23579 -1.86118 -0.78471 0.01008 148 4ZZ 0.23184 -0.22698 -1.60963 -0.67874 0.00861 149 4XY 0.01748 -0.00012 0.00000 0.00059 0.03129 150 4XZ 0.03778 -0.01925 0.03406 0.05067 -0.00088 151 4YZ -0.00107 0.00010 -0.00247 -0.00198 -0.01148 152 18 H 1S 0.00347 -0.00890 0.09807 0.01482 -0.00019 153 2S 0.05655 -0.11133 -0.43841 -0.26343 0.00283 154 19 H 1S 0.02044 0.01036 0.05904 0.05642 -0.00049 155 2S 0.08213 -0.03925 -0.53082 -0.14935 0.00218 156 20 C 1S -0.18354 0.18172 -0.13236 0.17622 -0.20826 157 2S 1.23095 -0.98472 0.75546 -0.93952 1.27725 158 2PX 0.02079 0.02936 0.00604 -0.02345 0.02586 159 2PY 0.06126 -0.04883 0.03902 -0.02979 -0.15071 160 2PZ -0.01084 -0.12032 0.06731 -0.06880 0.03026 161 3S 0.60050 -0.87137 0.37326 -0.57453 0.30222 162 3PX -0.02599 -0.03726 -0.01964 0.04978 -0.23484 163 3PY -0.01003 0.03948 0.00650 0.02259 0.07433 164 3PZ -0.02474 0.23384 -0.06307 0.09803 0.36327 165 4XX -0.72006 0.69881 -0.50704 0.67003 -0.80239 166 4YY -0.65174 0.61324 -0.46349 0.58929 -0.99245 167 4ZZ -0.71854 0.75678 -0.53602 0.67961 -0.78667 168 4XY -0.00431 -0.02559 -0.00221 0.01201 -0.02283 169 4XZ 0.00458 -0.01240 0.02159 -0.03422 -0.00273 170 4YZ 0.00447 0.04848 -0.01535 -0.00472 -0.01188 171 21 H 1S 0.07123 -0.05811 0.05922 -0.08629 0.04920 172 2S -0.16454 0.08168 -0.09745 0.16421 -0.27145 173 22 C 1S -0.19207 0.18021 -0.13682 0.19655 0.19515 174 2S 1.33971 -0.97711 0.77690 -1.04474 -1.20352 175 2PX 0.01052 0.02961 0.00661 -0.02527 -0.02455 176 2PY -0.05303 0.05181 -0.03686 0.01703 -0.14914 177 2PZ 0.00639 -0.11800 0.06537 -0.06836 -0.03167 178 3S 0.23776 -0.85125 0.42496 -0.74668 -0.30368 179 3PX -0.06984 -0.03653 -0.01322 0.04277 0.22920 180 3PY 0.11627 -0.06018 -0.01849 0.02835 0.07233 181 3PZ 0.15706 0.22688 -0.07975 0.13315 -0.35417 182 4XX -0.74439 0.69314 -0.52354 0.74651 0.75235 183 4YY -0.73360 0.60903 -0.48182 0.67619 0.94921 184 4ZZ -0.78631 0.74884 -0.54887 0.74811 0.73869 185 4XY 0.00362 0.02497 0.00258 -0.01281 -0.02171 186 4XZ 0.01521 -0.01188 0.02090 -0.03351 0.00348 187 4YZ 0.00901 -0.04998 0.01560 0.00385 -0.01329 188 23 H 1S 0.07876 -0.05746 0.06123 -0.09322 -0.04028 189 2S -0.21870 0.08513 -0.09641 0.16951 0.26039 186 187 188 189 V V V V Eigenvalues -- 4.44815 4.50801 4.60284 4.86612 1 1 C 1S -0.32830 -0.08125 -0.02941 -0.39312 2 2S 1.73438 0.28050 0.57401 0.88266 3 2PX -0.00069 0.02698 0.00140 0.04180 4 2PY 0.10282 0.06269 0.03628 0.21796 5 2PZ -0.01184 -0.07874 -0.04513 -0.00660 6 3S 2.19254 0.83480 0.20133 5.52363 7 3PX -0.02183 -0.16588 0.31686 -0.05114 8 3PY -0.25153 -0.27966 -0.03256 -2.02149 9 3PZ -0.09361 0.25123 -0.03021 0.02801 10 4XX -1.24578 -0.19474 -0.26535 -1.20358 11 4YY -1.25413 -0.29730 -0.21629 -1.21305 12 4ZZ -1.34997 -0.38315 -0.35020 -1.30089 13 4XY 0.03443 -0.04791 -0.05250 0.04676 14 4XZ 0.10664 -0.03228 0.03914 0.05701 15 4YZ 0.01831 0.11071 0.03119 0.00365 16 2 C 1S -0.32070 0.08798 0.02090 0.39060 17 2S 1.71371 -0.31597 -0.54270 -0.86730 18 2PX 0.00161 -0.02166 -0.00229 -0.05037 19 2PY -0.10127 0.06426 0.03079 0.21821 20 2PZ -0.01551 0.08550 0.04385 0.00735 21 3S 2.13621 -0.92456 -0.08671 -5.48309 22 3PX -0.02058 0.14781 -0.30126 0.06411 23 3PY 0.22892 -0.30859 0.01390 -2.00989 24 3PZ -0.10765 -0.28685 0.03423 -0.04829 25 4XX -1.22119 0.22838 0.23393 1.18093 26 4YY -1.23050 0.31749 0.18628 1.20540 27 4ZZ -1.33563 0.41149 0.32344 1.29751 28 4XY -0.03670 -0.04817 -0.05208 0.04571 29 4XZ 0.11247 0.03156 -0.04059 -0.05728 30 4YZ -0.01588 0.10709 0.02969 0.00024 31 3 C 1S 0.14752 -0.29523 0.11874 0.16961 32 2S -0.75512 1.34585 -0.58626 -0.43547 33 2PX -0.05414 0.05856 -0.04424 0.01699 34 2PY 0.02610 0.05125 -0.01713 0.01014 35 2PZ 0.05365 -0.02930 0.00723 -0.00268 36 3S -1.16312 2.33580 -1.04553 -3.89519 37 3PX 0.18413 -0.19556 0.16992 0.68777 38 3PY -0.11175 -0.32871 0.04454 0.64499 39 3PZ -0.13892 -0.01468 0.04244 -0.70868 40 4XX 0.60713 -1.04067 0.43795 0.51640 41 4YY 0.50085 -1.19191 0.51163 0.59009 42 4ZZ 0.63238 -1.02635 0.43230 0.55183 43 4XY -0.07997 -0.00429 -0.03719 -0.08802 44 4XZ -0.08106 -0.01915 -0.03334 -0.06806 45 4YZ 0.07428 -0.02826 0.00024 0.10882 46 4 H 1S -0.01993 -0.02494 0.01564 0.11689 47 2S 0.17914 -0.34212 0.21667 0.11537 48 5 H 1S -0.00366 0.03125 -0.00162 0.12087 49 2S 0.13428 -0.26192 0.04693 0.12898 50 6 C 1S 0.16290 0.28860 -0.11147 -0.16948 51 2S -0.83392 -1.31358 0.56808 0.43120 52 2PX -0.05379 -0.05138 0.03906 -0.02130 53 2PY -0.02356 0.04961 -0.01446 0.00882 54 2PZ 0.06065 0.03595 -0.00557 -0.00611 55 3S -1.25684 -2.28587 0.95840 3.88633 56 3PX 0.16870 0.13378 -0.12655 -0.63944 57 3PY 0.09734 -0.32767 0.05002 0.63352 58 3PZ -0.17109 -0.02944 -0.05979 0.79933 59 4XX 0.66578 1.01087 -0.41786 -0.51868 60 4YY 0.56846 1.17043 -0.48906 -0.59246 61 4ZZ 0.68231 1.00315 -0.40749 -0.54225 62 4XY 0.08196 0.00629 -0.04005 -0.10381 63 4XZ -0.07833 0.02431 0.02806 0.06713 64 4YZ -0.07800 -0.01367 -0.00331 0.08709 65 7 H 1S -0.01541 0.01137 -0.01223 -0.09526 66 2S 0.16108 0.30154 -0.19886 -0.05991 67 8 H 1S -0.01043 -0.01001 0.00427 -0.14099 68 2S 0.16284 0.28391 -0.04558 -0.17099 69 9 H 1S 0.05939 -0.03055 -0.02635 -0.05743 70 2S -0.29791 0.01786 0.01565 -0.08076 71 10 H 1S 0.06289 0.02753 0.02948 0.05780 72 2S -0.29753 -0.02135 -0.00877 0.07983 73 11 C 1S 0.03233 -0.03974 0.30844 -0.19361 74 2S 0.05668 0.20413 -1.24968 0.10114 75 2PX 0.01521 -0.00374 0.00579 -0.07734 76 2PY 0.01578 -0.02404 0.14711 -0.04732 77 2PZ 0.00846 0.03051 0.10851 -0.04772 78 3S -0.60200 0.06899 -3.66589 4.85759 79 3PX 0.03826 0.53622 0.13918 -0.43541 80 3PY 0.10536 -0.19387 -0.93151 1.05404 81 3PZ -0.25326 -0.52136 -0.75175 1.74215 82 4XX 0.03269 -0.15386 1.09561 -0.42121 83 4YY 0.06836 -0.21432 1.30947 -0.61512 84 4ZZ 0.06787 -0.15027 1.08457 -0.49864 85 4XY 0.02974 -0.01141 -0.00322 0.00282 86 4XZ -0.00980 0.05430 -0.02173 -0.01944 87 4YZ 0.01846 0.02527 -0.05390 0.02143 88 12 H 1S 0.01905 -0.08749 -0.05067 -0.00101 89 2S 0.00161 -0.31099 0.07076 0.21313 90 13 C 1S 0.03544 0.05718 -0.31039 0.18130 91 2S 0.04608 -0.28004 1.26079 -0.06191 92 2PX 0.01295 0.00527 -0.00569 0.07308 93 2PY -0.01764 -0.02043 0.14710 -0.04755 94 2PZ 0.01099 -0.02723 -0.10482 0.04338 95 3S -0.58355 -0.18802 3.68761 -4.76677 96 3PX -0.01618 -0.52792 -0.14528 0.43767 97 3PY -0.08273 -0.22357 -0.93575 1.09433 98 3PZ -0.22739 0.50611 0.72646 -1.70999 99 4XX 0.04471 0.21720 -1.10327 0.37902 100 4YY 0.08061 0.27007 -1.31449 0.57740 101 4ZZ 0.07795 0.21560 -1.09447 0.45571 102 4XY -0.02965 -0.01058 -0.00502 0.00278 103 4XZ -0.01577 -0.05291 0.01884 0.01854 104 4YZ -0.01538 0.02603 -0.05874 0.02423 105 14 H 1S 0.02452 0.07884 0.05463 0.00679 106 2S -0.00595 0.36126 -0.09701 -0.24449 107 15 O 1S -0.05414 0.00409 -0.07078 0.14491 108 2S -0.12403 -0.04840 -0.10946 0.39098 109 2PX -0.01354 0.01917 -0.03412 0.05125 110 2PY -0.02100 0.01420 -0.04199 0.06033 111 2PZ 0.01938 0.00575 0.03641 -0.02512 112 3S 0.86748 0.25964 1.36135 -2.88176 113 3PX 0.11648 0.11388 0.14756 -0.66519 114 3PY 0.16689 0.03828 0.16705 -0.42443 115 3PZ -0.09902 -0.11369 -0.05753 0.29228 116 4XX -0.16052 0.05328 -0.26260 0.38286 117 4YY -0.13673 0.01803 -0.25144 0.46828 118 4ZZ -0.19646 0.03228 -0.28027 0.51289 119 4XY -0.01381 0.02548 -0.05547 -0.03025 120 4XZ -0.01884 -0.02835 0.11847 0.00815 121 4YZ 0.00755 -0.02685 0.03874 0.01215 122 16 O 1S -0.04582 -0.00932 0.07066 -0.14178 123 2S -0.10703 0.03859 0.10978 -0.38319 124 2PX -0.01218 -0.02261 0.03425 -0.04866 125 2PY 0.01760 0.01707 -0.04087 0.05775 126 2PZ 0.01849 -0.00296 -0.03760 0.02507 127 3S 0.74246 -0.17267 -1.36343 2.82510 128 3PX 0.09474 -0.09926 -0.15087 0.65543 129 3PY -0.14868 0.02769 0.16287 -0.40870 130 3PZ -0.08239 0.10788 0.06461 -0.29885 131 4XX -0.13732 -0.07363 0.26261 -0.37095 132 4YY -0.10939 -0.03463 0.25048 -0.46002 133 4ZZ -0.16985 -0.05211 0.27977 -0.49959 134 4XY 0.01738 0.02566 -0.05340 -0.03074 135 4XZ -0.01175 0.03191 -0.11868 -0.01121 136 4YZ -0.00931 -0.02859 0.03750 0.01496 137 17 C 1S -0.04518 0.00064 0.00020 0.00016 138 2S 0.21440 -0.00965 0.00032 0.00315 139 2PX -0.05537 0.00015 -0.00043 0.00056 140 2PY 0.00030 0.00090 0.02504 -0.05387 141 2PZ 0.00661 0.00127 -0.00042 -0.00132 142 3S -0.03100 -0.00619 -0.00513 0.00247 143 3PX -0.02908 -0.00113 -0.00096 0.00184 144 3PY 0.00143 -0.06222 0.10427 -0.04828 145 3PZ 0.10200 -0.00871 0.00510 0.00412 146 4XX -0.18207 0.00506 0.00007 -0.00078 147 4YY -0.15463 0.00582 0.00041 -0.00089 148 4ZZ -0.17179 0.00315 0.00051 -0.00013 149 4XY -0.00142 -0.00794 -0.02078 0.02149 150 4XZ -0.00271 -0.00108 -0.00013 0.00082 151 4YZ 0.00013 -0.01132 -0.00296 -0.00297 152 18 H 1S 0.01812 0.00122 -0.00018 -0.00091 153 2S -0.07062 0.00493 -0.00167 -0.00211 154 19 H 1S 0.04386 -0.00094 0.00079 0.00031 155 2S -0.00088 -0.00156 0.00151 0.00184 156 20 C 1S 0.01842 -0.23081 -0.18907 -0.01952 157 2S -0.09955 1.11281 0.88647 0.18583 158 2PX 0.03124 -0.02064 -0.00814 -0.03029 159 2PY -0.07957 -0.08652 -0.07874 0.04276 160 2PZ -0.11432 0.12345 0.10473 0.01937 161 3S -0.55386 2.41733 1.65253 2.49560 162 3PX -0.03553 0.12275 -0.00019 0.45743 163 3PY 0.07921 0.40687 0.52608 0.14552 164 3PZ 0.16488 -0.68668 -0.21722 -1.19421 165 4XX 0.08181 -0.83631 -0.66805 -0.07424 166 4YY 0.10889 -1.03881 -0.86797 -0.17967 167 4ZZ 0.18663 -0.88162 -0.72201 -0.19301 168 4XY -0.02550 0.03876 -0.02453 0.04690 169 4XZ -0.03630 0.02924 0.03355 0.03094 170 4YZ 0.13439 -0.09427 -0.08539 -0.13544 171 21 H 1S 0.02559 0.05867 0.05369 0.00704 172 2S 0.01379 -0.03057 -0.10565 0.19482 173 22 C 1S 0.01145 0.22286 0.18916 0.02820 174 2S -0.05150 -1.08465 -0.88208 -0.20895 175 2PX 0.03230 0.02297 0.00776 0.03141 176 2PY 0.08739 -0.08239 -0.07729 0.03799 177 2PZ -0.11184 -0.12136 -0.10563 -0.02474 178 3S -0.56364 -2.33510 -1.69491 -2.55963 179 3PX -0.05239 -0.11538 -0.00850 -0.47226 180 3PY -0.08876 0.39744 0.52031 0.12704 181 3PZ 0.19638 0.66029 0.24843 1.23488 182 4XX 0.05387 0.80756 0.66848 0.10487 183 4YY 0.07677 1.01789 0.87090 0.20754 184 4ZZ 0.15362 0.85203 0.71775 0.21605 185 4XY 0.02756 0.04039 -0.02510 0.04493 186 4XZ -0.03445 -0.02909 -0.03352 -0.02681 187 4YZ -0.13411 -0.09035 -0.08481 -0.13227 188 23 H 1S 0.02640 -0.05640 -0.05264 -0.01171 189 2S -0.00176 0.03108 0.10175 -0.20355 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05491 2 2S -0.06096 0.32558 3 2PX 0.00186 0.00059 0.34947 4 2PY -0.00180 -0.00359 -0.01171 0.41129 5 2PZ -0.00379 0.00505 -0.03278 -0.01915 0.39171 6 3S -0.19660 0.28820 -0.04481 0.00033 0.00394 7 3PX 0.00583 -0.00945 0.19998 0.02644 0.04141 8 3PY 0.00702 0.00856 0.02142 0.13299 -0.01362 9 3PZ 0.00892 -0.01841 0.04335 0.00252 0.16898 10 4XX -0.01176 -0.01239 0.00041 -0.00563 -0.00864 11 4YY -0.01848 0.00170 -0.00451 0.02170 -0.00199 12 4ZZ -0.01362 -0.00778 0.00371 -0.00973 0.00804 13 4XY 0.00143 -0.00304 -0.00718 -0.00253 0.00294 14 4XZ 0.00271 -0.00577 0.00036 0.00579 0.00621 15 4YZ 0.00100 -0.00219 0.00348 0.00134 -0.01172 16 2 C 1S -0.00457 0.00654 -0.00327 -0.00999 -0.00302 17 2S 0.00654 -0.01941 0.00802 0.02766 0.01046 18 2PX -0.00425 0.00929 -0.10376 -0.02601 -0.03351 19 2PY 0.01018 -0.02800 0.02425 0.03597 0.01750 20 2PZ -0.00312 0.01004 -0.02988 -0.01591 -0.05666 21 3S 0.02751 -0.02911 0.00783 0.03284 -0.02965 22 3PX -0.00390 0.00897 -0.09519 -0.02919 -0.04309 23 3PY 0.01022 -0.00629 0.00553 -0.01037 -0.02312 24 3PZ -0.00236 0.00936 -0.02744 -0.01559 -0.04691 25 4XX -0.00040 -0.00032 0.00130 0.00092 0.00138 26 4YY -0.00081 0.00058 -0.00142 -0.00118 -0.00178 27 4ZZ -0.00046 0.00001 -0.00068 0.00036 0.00000 28 4XY 0.00018 -0.00039 0.00015 0.00081 0.00105 29 4XZ -0.00004 -0.00045 -0.00135 0.00007 -0.00100 30 4YZ 0.00037 -0.00057 0.00105 0.00070 -0.00217 31 3 C 1S 0.01244 -0.02367 -0.03685 0.02950 0.04398 32 2S -0.02399 0.03966 0.07559 -0.05412 -0.08988 33 2PX 0.04533 -0.09723 -0.10013 0.08766 0.14891 34 2PY -0.02313 0.04822 0.08792 -0.02984 -0.06857 35 2PZ -0.04854 0.10052 0.14701 -0.08524 -0.13942 36 3S 0.00574 0.02246 0.06156 -0.11633 -0.11897 37 3PX 0.00856 -0.03023 -0.04884 0.04632 0.07448 38 3PY -0.00481 0.00831 0.05105 0.00448 -0.03044 39 3PZ -0.00936 0.03208 0.07658 -0.04223 -0.06747 40 4XX -0.00128 0.00165 -0.00798 -0.00290 -0.00528 41 4YY 0.00071 -0.00229 -0.00179 0.00980 0.00178 42 4ZZ -0.00158 0.00229 0.00640 -0.00268 0.00842 43 4XY 0.00301 -0.00557 -0.00328 -0.00258 0.00647 44 4XZ 0.00458 -0.00900 -0.00361 0.00614 0.00455 45 4YZ -0.00292 0.00526 0.00607 0.00278 -0.00391 46 4 H 1S 0.00836 -0.01968 -0.00664 0.00183 0.03245 47 2S 0.01515 -0.03054 0.00472 0.01475 0.08578 48 5 H 1S 0.00773 -0.02226 -0.02677 0.00388 0.01571 49 2S 0.01007 -0.02388 -0.06370 0.00244 0.01448 50 6 C 1S -0.00190 0.00460 0.00248 -0.00953 -0.00525 51 2S 0.00487 -0.00928 -0.01176 0.01817 0.01200 52 2PX -0.00181 0.00989 0.01589 -0.00440 -0.00947 53 2PY 0.01002 -0.02583 -0.02688 0.03494 0.01496 54 2PZ 0.00383 -0.01038 -0.00903 0.00689 0.01259 55 3S -0.00219 -0.01341 0.02717 0.08055 0.04212 56 3PX 0.00052 0.00548 0.01087 -0.00134 -0.01374 57 3PY 0.00694 -0.02165 -0.01116 0.05320 0.01888 58 3PZ -0.00026 -0.00622 0.00330 0.00799 0.01711 59 4XX 0.00024 -0.00058 0.00332 0.00135 0.00225 60 4YY -0.00048 0.00080 -0.00072 -0.00185 -0.00242 61 4ZZ -0.00034 0.00083 -0.00165 -0.00092 -0.00148 62 4XY 0.00107 -0.00243 -0.00308 0.00337 0.00410 63 4XZ -0.00020 0.00073 0.00036 -0.00063 -0.00094 64 4YZ -0.00114 0.00238 0.00515 -0.00295 -0.00400 65 7 H 1S -0.00496 0.01243 0.00739 -0.01201 -0.01824 66 2S -0.00661 0.01447 0.00629 -0.02294 -0.03017 67 8 H 1S -0.00097 0.00636 0.02181 -0.00261 -0.00082 68 2S -0.00117 0.00496 0.03002 -0.00891 -0.00044 69 9 H 1S -0.00249 0.00753 -0.00718 -0.00895 -0.00852 70 2S -0.00365 0.01353 -0.02064 -0.02439 -0.02786 71 10 H 1S -0.05979 0.11327 -0.03615 0.26339 -0.01294 72 2S -0.01318 0.02667 -0.02570 0.24283 0.00432 73 11 C 1S -0.00087 0.00338 -0.00350 -0.00458 -0.00223 74 2S 0.00285 -0.00353 0.00884 0.00670 0.00588 75 2PX 0.00609 -0.01747 0.00333 0.00645 0.00476 76 2PY 0.00131 -0.00278 0.01740 0.01476 0.00905 77 2PZ 0.00605 -0.01520 0.01298 0.00714 0.00881 78 3S -0.00283 -0.01745 0.00109 0.04083 -0.00839 79 3PX 0.00465 -0.01254 0.00927 0.00783 0.02144 80 3PY -0.00270 -0.00117 -0.01009 0.01220 -0.01355 81 3PZ 0.00229 -0.01580 0.00965 0.00783 -0.00774 82 4XX -0.00008 0.00006 0.00065 -0.00032 0.00023 83 4YY 0.00014 -0.00009 -0.00029 0.00009 -0.00048 84 4ZZ -0.00017 0.00092 -0.00003 -0.00087 -0.00013 85 4XY -0.00032 0.00016 -0.00540 -0.00219 -0.00320 86 4XZ 0.00012 -0.00031 0.00226 0.00089 0.00170 87 4YZ -0.00045 0.00035 -0.00512 -0.00158 -0.00321 88 12 H 1S -0.00242 0.00554 -0.01928 -0.00863 -0.01235 89 2S -0.00424 0.00743 -0.03443 -0.01603 -0.03156 90 13 C 1S -0.00164 0.00179 0.00984 0.00450 0.00419 91 2S 0.00055 -0.01102 -0.01429 -0.00353 -0.00831 92 2PX -0.00395 0.00356 -0.09440 -0.03320 -0.05553 93 2PY 0.00015 -0.00295 -0.02716 -0.01800 -0.01223 94 2PZ -0.00734 0.00947 -0.08414 -0.02228 -0.05677 95 3S 0.01591 0.00022 -0.03820 -0.03958 -0.00221 96 3PX 0.00339 -0.00727 -0.05678 -0.02313 -0.05141 97 3PY -0.00039 -0.00498 -0.03686 0.00585 -0.02845 98 3PZ 0.00134 0.00751 -0.05970 -0.01654 -0.02038 99 4XX -0.00143 0.00256 -0.00460 -0.00210 -0.00476 100 4YY -0.00025 -0.00058 0.00152 0.00223 0.00097 101 4ZZ -0.00004 -0.00073 0.00197 0.00005 0.00249 102 4XY -0.00060 0.00156 -0.00187 0.00084 -0.00152 103 4XZ -0.00112 0.00271 -0.00599 -0.00203 -0.00314 104 4YZ -0.00071 0.00172 -0.00153 0.00067 -0.00114 105 14 H 1S 0.00586 -0.01351 0.02073 0.00105 0.02032 106 2S 0.00675 -0.01257 0.04817 0.01086 0.04302 107 15 O 1S 0.00004 -0.00148 0.00290 0.00136 0.00105 108 2S -0.00043 0.00292 -0.00858 -0.00307 -0.00548 109 2PX -0.00122 0.00692 -0.00273 -0.00516 -0.00195 110 2PY -0.00052 0.00171 -0.00770 -0.00665 -0.00416 111 2PZ -0.00102 0.00605 0.00726 0.00374 0.00408 112 3S 0.00086 0.00727 -0.01475 -0.00975 0.00584 113 3PX -0.00033 0.00694 0.00104 -0.00444 0.00346 114 3PY -0.00004 0.00141 -0.00581 -0.00685 -0.00135 115 3PZ -0.00183 0.00691 0.00230 0.00172 -0.00095 116 4XX 0.00037 -0.00082 0.00129 0.00060 0.00031 117 4YY -0.00019 -0.00013 -0.00074 0.00004 -0.00108 118 4ZZ -0.00033 0.00025 -0.00128 -0.00028 -0.00129 119 4XY 0.00006 0.00024 0.00031 0.00010 0.00033 120 4XZ 0.00004 -0.00020 0.00062 0.00016 0.00021 121 4YZ -0.00003 0.00006 -0.00070 -0.00020 -0.00047 122 16 O 1S -0.00093 0.00353 -0.00998 -0.00130 -0.00263 123 2S 0.00282 -0.00703 0.02160 0.00220 0.00799 124 2PX 0.00926 -0.01859 0.06538 0.01338 0.02610 125 2PY 0.00029 0.00116 -0.00133 -0.00442 -0.00187 126 2PZ 0.00882 -0.01366 0.06145 0.01563 0.02967 127 3S 0.00101 -0.01837 0.05585 0.00973 0.00674 128 3PX 0.00511 -0.01485 0.05185 0.01179 0.01797 129 3PY -0.00022 0.00368 -0.00690 -0.00499 -0.00121 130 3PZ 0.00763 -0.01021 0.05217 0.01499 0.02929 131 4XX -0.00006 0.00050 -0.00436 -0.00139 -0.00181 132 4YY 0.00026 0.00057 0.00041 0.00065 0.00098 133 4ZZ 0.00030 0.00093 0.00031 -0.00039 0.00114 134 4XY -0.00039 0.00099 -0.00292 -0.00047 -0.00072 135 4XZ -0.00028 0.00087 -0.00239 -0.00033 -0.00078 136 4YZ -0.00035 0.00060 -0.00133 0.00015 -0.00078 137 17 C 1S 0.00029 0.00019 0.00291 0.00033 0.00123 138 2S -0.00043 -0.00018 -0.00772 -0.00148 -0.00213 139 2PX -0.00144 0.00269 -0.01126 -0.00166 -0.00367 140 2PY -0.00247 0.00478 -0.02112 -0.00345 -0.00826 141 2PZ -0.00018 0.00110 0.00240 0.00075 0.00122 142 3S -0.00022 -0.00116 -0.01412 -0.00096 -0.00583 143 3PX -0.00095 0.00229 -0.00295 -0.00138 -0.00419 144 3PY -0.00195 0.00334 -0.02374 -0.00653 -0.01246 145 3PZ 0.00031 -0.00119 0.01007 0.00083 0.00562 146 4XX 0.00040 -0.00043 0.00271 0.00053 0.00116 147 4YY -0.00010 0.00017 -0.00155 -0.00025 -0.00046 148 4ZZ -0.00011 0.00029 -0.00050 -0.00015 -0.00006 149 4XY 0.00019 -0.00054 0.00174 0.00064 0.00086 150 4XZ 0.00032 -0.00045 0.00162 0.00015 0.00077 151 4YZ 0.00047 -0.00089 0.00277 0.00054 0.00122 152 18 H 1S -0.00089 0.00133 -0.00528 -0.00101 -0.00233 153 2S -0.00192 0.00390 -0.01240 -0.00327 -0.00844 154 19 H 1S 0.00158 -0.00269 0.01256 0.00203 0.00504 155 2S 0.00204 -0.00202 0.02714 0.00350 0.01018 156 20 C 1S -0.00341 0.00801 -0.00020 -0.01154 0.00922 157 2S 0.00804 -0.01939 -0.00053 0.02725 -0.02990 158 2PX 0.00488 -0.01229 -0.02179 0.00652 -0.01558 159 2PY 0.01246 -0.03315 -0.00140 0.03406 -0.03554 160 2PZ -0.00304 0.00908 -0.00934 -0.00522 0.01381 161 3S -0.00212 -0.01826 0.00741 0.08496 0.04535 162 3PX -0.00100 -0.00461 -0.02890 -0.00070 0.00306 163 3PY 0.00517 -0.01590 0.01351 0.04931 0.01288 164 3PZ 0.00744 -0.00367 -0.01749 0.00394 -0.04463 165 4XX -0.00015 0.00037 -0.00090 -0.00029 -0.00094 166 4YY -0.00104 0.00213 -0.00242 -0.00439 0.00273 167 4ZZ 0.00003 -0.00016 0.00202 0.00067 0.00248 168 4XY -0.00014 0.00022 0.00890 0.00092 0.00732 169 4XZ 0.00028 -0.00064 0.00209 0.00090 0.00011 170 4YZ 0.00210 -0.00443 0.00463 0.00635 -0.00595 171 21 H 1S -0.00742 0.01733 0.00042 -0.01571 0.03332 172 2S -0.01196 0.02460 0.00340 -0.03143 0.06964 173 22 C 1S 0.01810 -0.03368 0.01255 0.03963 -0.06920 174 2S -0.03628 0.06268 -0.02934 -0.07904 0.14451 175 2PX -0.00930 0.01787 0.17988 0.00845 0.15978 176 2PY -0.03712 0.07743 -0.00971 -0.05334 0.15908 177 2PZ 0.07312 -0.14685 0.12386 0.15503 -0.17935 178 3S 0.00910 0.01655 -0.01318 -0.09083 0.06087 179 3PX 0.00757 -0.00839 0.11948 0.02410 0.07353 180 3PY -0.00656 0.01369 0.00583 0.00936 0.08917 181 3PZ 0.00612 -0.03405 0.05926 0.05185 -0.00711 182 4XX 0.00197 -0.00392 0.00462 0.00273 -0.00490 183 4YY 0.00114 -0.00319 0.00035 0.01335 -0.00315 184 4ZZ -0.00356 0.00672 -0.00426 -0.00909 -0.00368 185 4XY -0.00126 0.00248 0.00563 0.00053 0.00437 186 4XZ 0.00122 -0.00237 -0.00983 0.00314 -0.00227 187 4YZ 0.00487 -0.00908 0.00410 -0.00197 -0.00886 188 23 H 1S 0.01293 -0.02781 0.01011 0.00406 -0.04413 189 2S 0.01824 -0.03220 0.02485 -0.00001 -0.09751 6 7 8 9 10 6 3S 0.29342 7 3PX -0.03470 0.13264 8 3PY -0.00412 0.02057 0.05395 9 3PZ -0.02341 0.05177 0.00028 0.08989 10 4XX -0.00975 -0.00185 -0.00206 -0.00310 0.00124 11 4YY 0.00416 -0.00076 0.00639 -0.00116 -0.00039 12 4ZZ -0.00837 0.00301 -0.00270 0.00410 0.00021 13 4XY -0.00189 -0.00335 -0.00172 0.00002 0.00011 14 4XZ -0.00465 0.00226 0.00197 0.00270 -0.00008 15 4YZ -0.00240 0.00006 0.00102 -0.00380 0.00033 16 2 C 1S 0.02760 -0.00301 -0.01023 -0.00264 -0.00047 17 2S -0.02952 0.00783 0.00640 0.01000 -0.00025 18 2PX 0.01927 -0.09397 -0.00952 -0.03027 0.00106 19 2PY -0.03332 0.02808 -0.01041 0.01748 -0.00086 20 2PZ -0.02405 -0.03849 0.02101 -0.04631 0.00122 21 3S -0.04319 0.00673 0.00719 -0.01007 0.00048 22 3PX 0.01653 -0.08235 -0.00828 -0.03708 0.00153 23 3PY -0.00661 0.00511 -0.01221 -0.01027 0.00026 24 3PZ -0.00653 -0.03398 0.00921 -0.03051 0.00067 25 4XX -0.00018 0.00173 0.00010 0.00073 0.00004 26 4YY 0.00068 -0.00115 0.00023 -0.00131 -0.00005 27 4ZZ 0.00063 -0.00092 0.00027 0.00006 0.00009 28 4XY -0.00043 -0.00041 0.00055 0.00087 -0.00007 29 4XZ -0.00034 -0.00139 0.00044 -0.00154 0.00004 30 4YZ -0.00195 0.00065 0.00083 -0.00190 0.00002 31 3 C 1S 0.00163 -0.00204 0.00441 0.00558 -0.00215 32 2S 0.01343 0.01326 -0.01455 -0.01855 0.00321 33 2PX -0.05962 -0.04036 0.00590 0.05645 0.00787 34 2PY 0.02915 0.04015 -0.00992 -0.02984 0.00349 35 2PZ 0.09915 0.04198 -0.01673 -0.04768 0.00590 36 3S -0.00853 -0.01073 -0.02705 -0.03101 0.00545 37 3PX -0.01155 -0.01873 0.00373 0.02784 0.00265 38 3PY -0.00030 0.02663 -0.00088 -0.00753 0.00193 39 3PZ 0.02710 0.02378 -0.00457 -0.02145 0.00339 40 4XX 0.00381 -0.00667 -0.00213 -0.00424 0.00071 41 4YY -0.00163 0.00031 0.00343 0.00129 -0.00028 42 4ZZ -0.00037 0.00570 0.00001 0.00437 -0.00059 43 4XY -0.00341 -0.00177 -0.00244 0.00326 0.00041 44 4XZ -0.00835 -0.00055 0.00129 0.00227 0.00015 45 4YZ 0.00530 0.00273 0.00177 -0.00118 0.00006 46 4 H 1S -0.04301 0.00941 0.00045 0.01762 -0.00351 47 2S -0.05138 0.02927 0.00680 0.03994 -0.00489 48 5 H 1S -0.00730 -0.02697 -0.01326 0.00582 0.00794 49 2S 0.00173 -0.04462 -0.01639 -0.00465 0.00695 50 6 C 1S 0.00043 -0.00012 -0.00272 -0.00552 0.00041 51 2S -0.00640 -0.00397 0.00824 0.01043 -0.00086 52 2PX -0.01893 0.01537 0.02436 -0.02567 0.00064 53 2PY -0.02569 -0.01590 0.01222 0.01791 -0.00228 54 2PZ -0.01660 -0.00712 -0.00907 0.01048 -0.00097 55 3S -0.01044 0.03074 0.02654 0.03880 -0.00252 56 3PX -0.01140 0.00948 0.01235 -0.01655 0.00014 57 3PY -0.01968 -0.00045 0.01611 0.01363 -0.00156 58 3PZ -0.01038 0.00199 -0.00117 0.01215 -0.00069 59 4XX -0.00123 0.00378 0.00016 0.00081 -0.00002 60 4YY 0.00052 -0.00177 -0.00039 -0.00043 0.00006 61 4ZZ 0.00078 -0.00186 0.00023 -0.00151 0.00009 62 4XY -0.00040 -0.00157 -0.00018 0.00229 0.00017 63 4XZ 0.00025 0.00032 0.00089 -0.00119 0.00004 64 4YZ 0.00274 0.00215 -0.00063 -0.00132 0.00022 65 7 H 1S 0.01805 0.00073 0.00295 -0.01126 0.00136 66 2S 0.01747 -0.00710 -0.00018 -0.01940 0.00213 67 8 H 1S -0.01235 0.02064 0.01191 -0.01037 -0.00026 68 2S -0.01078 0.02779 0.00590 -0.00974 -0.00044 69 9 H 1S 0.00676 -0.00885 0.00883 -0.00730 0.00006 70 2S 0.01649 -0.02055 0.00274 -0.02051 0.00007 71 10 H 1S 0.11117 -0.00299 0.08521 -0.01093 -0.00815 72 2S 0.03198 0.00825 0.07317 0.00419 -0.00558 73 11 C 1S -0.00180 -0.00288 0.00109 -0.00250 0.00024 74 2S -0.00317 0.00717 0.00056 0.00481 -0.00029 75 2PX 0.00240 0.01489 -0.01079 -0.00086 0.00123 76 2PY -0.00327 0.01401 -0.00304 0.01885 -0.00122 77 2PZ -0.01163 0.02611 -0.00758 -0.00139 0.00132 78 3S -0.01128 0.00252 0.00421 -0.00071 0.00010 79 3PX -0.00067 0.01735 -0.00661 0.00706 0.00029 80 3PY -0.00521 -0.01193 0.00315 -0.00119 0.00008 81 3PZ -0.00967 0.01450 -0.00329 -0.00710 0.00137 82 4XX 0.00030 0.00095 -0.00079 -0.00012 -0.00003 83 4YY 0.00088 -0.00017 -0.00029 -0.00008 0.00002 84 4ZZ -0.00034 -0.00060 0.00091 -0.00017 0.00001 85 4XY 0.00007 -0.00370 -0.00074 -0.00283 0.00021 86 4XZ 0.00058 0.00226 -0.00072 0.00178 -0.00009 87 4YZ 0.00209 -0.00397 -0.00117 -0.00266 0.00016 88 12 H 1S 0.00906 -0.02115 0.00219 -0.01080 0.00032 89 2S 0.00956 -0.03534 0.00228 -0.02212 0.00124 90 13 C 1S 0.00543 -0.00022 0.00173 0.00580 -0.00116 91 2S 0.00019 -0.00182 -0.00562 -0.00973 0.00200 92 2PX -0.00225 -0.06242 -0.00823 -0.04699 0.00401 93 2PY -0.00194 -0.01587 0.00050 -0.02384 0.00257 94 2PZ 0.03691 -0.05979 -0.02087 -0.04384 0.00344 95 3S 0.01536 -0.01637 -0.01767 -0.01580 0.00251 96 3PX -0.00343 -0.04105 -0.00706 -0.03806 0.00342 97 3PY 0.00049 -0.02745 -0.00010 -0.02312 0.00191 98 3PZ 0.02019 -0.03846 -0.01207 -0.02369 0.00179 99 4XX 0.00631 -0.00382 -0.00265 -0.00392 -0.00017 100 4YY -0.00166 0.00113 0.00077 0.00118 -0.00007 101 4ZZ -0.00369 0.00143 0.00212 0.00190 0.00015 102 4XY -0.00021 -0.00152 0.00180 -0.00098 -0.00005 103 4XZ 0.00240 -0.00459 -0.00105 -0.00221 -0.00008 104 4YZ 0.00178 -0.00236 0.00016 0.00024 -0.00009 105 14 H 1S -0.02701 0.02272 0.01043 0.00694 0.00075 106 2S -0.03339 0.04323 0.01603 0.02484 -0.00065 107 15 O 1S 0.00435 0.00204 -0.00254 0.00092 -0.00012 108 2S -0.01109 -0.00606 0.00611 -0.00477 0.00033 109 2PX -0.01021 -0.00667 0.01368 -0.00535 0.00028 110 2PY -0.00804 -0.00799 -0.00076 -0.00916 0.00028 111 2PZ -0.00044 -0.00076 0.01028 0.00862 -0.00059 112 3S -0.00659 -0.01095 0.00381 0.00217 -0.00007 113 3PX -0.00586 -0.00335 0.01016 0.00051 -0.00007 114 3PY -0.00490 -0.00630 -0.00125 -0.00604 0.00022 115 3PZ 0.00052 -0.00444 0.00855 0.00393 -0.00055 116 4XX -0.00089 0.00130 0.00010 0.00027 0.00006 117 4YY -0.00015 -0.00066 0.00003 -0.00122 0.00002 118 4ZZ 0.00070 -0.00126 -0.00033 -0.00074 0.00000 119 4XY -0.00048 0.00017 0.00044 0.00024 -0.00001 120 4XZ -0.00016 0.00064 -0.00003 0.00039 0.00001 121 4YZ 0.00024 -0.00053 0.00016 -0.00037 0.00004 122 16 O 1S 0.00158 -0.00260 0.00223 -0.00655 0.00005 123 2S 0.00368 0.00665 -0.00736 0.01320 -0.00006 124 2PX -0.04774 0.04525 0.02599 0.03215 0.00335 125 2PY -0.02115 -0.01217 -0.00716 0.01261 0.00015 126 2PZ -0.09083 0.03782 0.05090 0.04404 0.00262 127 3S -0.02199 0.02391 -0.00126 0.02616 -0.00018 128 3PX -0.04041 0.03450 0.02258 0.02448 0.00196 129 3PY -0.00949 -0.01188 -0.00613 0.00711 -0.00012 130 3PZ -0.06425 0.03340 0.03680 0.03714 0.00168 131 4XX 0.00046 -0.00297 -0.00035 -0.00167 0.00023 132 4YY 0.00177 0.00112 0.00059 -0.00051 -0.00006 133 4ZZ 0.00202 0.00052 -0.00102 0.00011 -0.00016 134 4XY 0.00201 -0.00208 -0.00089 -0.00131 -0.00014 135 4XZ 0.00055 -0.00174 0.00001 -0.00069 -0.00003 136 4YZ 0.00370 -0.00075 -0.00159 -0.00123 -0.00017 137 17 C 1S -0.00375 0.00191 0.00123 0.00192 0.00012 138 2S 0.00593 -0.00373 -0.00108 -0.00644 -0.00004 139 2PX 0.01155 -0.00371 -0.00182 -0.01223 -0.00057 140 2PY 0.01500 -0.01375 0.00008 -0.01162 -0.00049 141 2PZ 0.00511 0.00348 -0.00551 0.00116 -0.00027 142 3S 0.00445 -0.00668 -0.00054 -0.00919 0.00034 143 3PX 0.00037 -0.00164 0.00250 -0.00296 0.00001 144 3PY 0.00436 -0.01812 -0.00145 -0.01140 0.00023 145 3PZ -0.00708 0.00632 0.00326 0.00589 0.00014 146 4XX -0.00256 0.00164 0.00198 0.00126 0.00012 147 4YY 0.00079 -0.00113 -0.00076 -0.00035 -0.00009 148 4ZZ 0.00165 -0.00016 -0.00120 -0.00032 -0.00006 149 4XY 0.00035 0.00146 0.00043 0.00067 -0.00003 150 4XZ -0.00320 0.00067 0.00178 0.00156 0.00014 151 4YZ -0.00366 0.00200 0.00134 0.00165 0.00014 152 18 H 1S 0.01155 -0.00157 -0.00838 -0.00404 -0.00033 153 2S 0.01982 -0.00649 -0.01399 -0.00782 -0.00058 154 19 H 1S -0.01549 0.00525 0.00979 0.00936 0.00063 155 2S -0.02755 0.01264 0.01809 0.01869 0.00073 156 20 C 1S 0.00669 -0.00174 -0.00326 0.00606 0.00021 157 2S -0.01811 0.00103 0.00909 -0.01677 -0.00038 158 2PX -0.02468 -0.03313 0.01385 -0.02887 -0.00007 159 2PY -0.02538 0.01279 -0.00485 -0.02865 -0.00150 160 2PZ 0.04777 -0.01428 -0.00210 0.01751 0.00052 161 3S -0.00708 0.02229 0.02272 0.02212 -0.00215 162 3PX -0.00215 -0.02927 0.00386 -0.01361 0.00017 163 3PY -0.01344 0.02164 0.00791 0.00810 -0.00183 164 3PZ 0.00759 -0.02206 0.00347 -0.02150 0.00107 165 4XX 0.00070 -0.00119 0.00004 -0.00019 0.00010 166 4YY 0.00192 -0.00131 -0.00129 -0.00019 -0.00014 167 4ZZ 0.00030 0.00184 -0.00047 0.00241 0.00002 168 4XY 0.00013 0.00688 0.00060 0.00485 -0.00024 169 4XZ -0.00109 0.00238 0.00014 -0.00015 -0.00002 170 4YZ -0.00699 0.00233 0.00324 -0.00248 0.00016 171 21 H 1S 0.03880 0.00020 -0.00604 0.02895 -0.00006 172 2S 0.04467 0.00606 -0.01427 0.04575 -0.00091 173 22 C 1S -0.01179 -0.00131 0.01145 -0.01492 0.00277 174 2S 0.03964 0.00127 -0.02995 0.03948 -0.00578 175 2PX 0.00052 0.13200 0.01598 0.08948 -0.00633 176 2PY 0.05301 -0.00027 -0.00706 0.07392 -0.00284 177 2PZ -0.16288 0.05630 0.06409 -0.04970 0.00724 178 3S -0.01883 -0.00457 -0.01755 0.00395 -0.00162 179 3PX -0.02080 0.08622 0.01736 0.04467 -0.00315 180 3PY 0.00574 0.01725 0.00218 0.04286 -0.00229 181 3PZ -0.03307 0.03882 0.01607 0.00805 0.00055 182 4XX -0.00346 0.00204 0.00132 -0.00051 0.00032 183 4YY -0.00229 0.00141 0.00391 -0.00108 -0.00014 184 4ZZ 0.00637 -0.00449 -0.00284 -0.00282 0.00010 185 4XY 0.00262 0.00492 -0.00007 0.00344 -0.00021 186 4XZ 0.00024 -0.00550 -0.00002 -0.00229 0.00011 187 4YZ -0.01087 0.00137 -0.00044 -0.00331 0.00053 188 23 H 1S -0.05157 -0.00562 0.00783 -0.01868 0.00282 189 2S -0.05484 -0.00705 0.01033 -0.03746 0.00446 11 12 13 14 15 11 4YY 0.00185 12 4ZZ -0.00084 0.00138 13 4XY -0.00017 0.00015 0.00038 14 4XZ 0.00034 0.00007 -0.00002 0.00089 15 4YZ -0.00007 -0.00009 -0.00025 -0.00012 0.00071 16 2 C 1S -0.00078 -0.00043 -0.00017 -0.00001 -0.00037 17 2S 0.00053 -0.00002 0.00038 -0.00050 0.00054 18 2PX -0.00139 -0.00080 -0.00019 -0.00132 -0.00091 19 2PY 0.00116 -0.00034 0.00083 -0.00011 0.00063 20 2PZ -0.00176 0.00002 -0.00113 -0.00092 0.00218 21 3S 0.00051 0.00014 0.00057 -0.00054 0.00205 22 3PX -0.00110 -0.00111 0.00037 -0.00132 -0.00048 23 3PY -0.00028 -0.00058 0.00067 -0.00044 0.00085 24 3PZ -0.00129 0.00004 -0.00090 -0.00143 0.00190 25 4XX -0.00006 0.00013 0.00008 0.00006 -0.00003 26 4YY 0.00037 -0.00019 -0.00010 0.00001 -0.00010 27 4ZZ -0.00017 0.00007 -0.00001 0.00011 0.00006 28 4XY 0.00010 0.00000 -0.00018 0.00010 0.00008 29 4XZ 0.00001 0.00011 -0.00011 0.00039 0.00003 30 4YZ 0.00012 -0.00007 0.00007 -0.00003 -0.00021 31 3 C 1S 0.00160 -0.00152 0.00236 0.00438 -0.00275 32 2S -0.00355 0.00185 -0.00457 -0.00813 0.00527 33 2PX 0.00312 -0.00400 0.00319 0.00318 -0.00608 34 2PY -0.00936 0.00339 0.00354 -0.00557 -0.00275 35 2PZ -0.00286 -0.01044 -0.00563 -0.00355 0.00470 36 3S -0.00738 0.00266 -0.00418 -0.01028 0.00629 37 3PX 0.00245 -0.00248 0.00136 0.00132 -0.00345 38 3PY -0.00359 0.00124 0.00156 -0.00306 -0.00092 39 3PZ -0.00208 -0.00401 -0.00267 -0.00110 0.00252 40 4XX -0.00026 -0.00047 0.00025 -0.00026 -0.00007 41 4YY 0.00084 -0.00036 -0.00017 0.00032 0.00013 42 4ZZ -0.00039 0.00079 0.00010 0.00007 -0.00033 43 4XY -0.00022 0.00001 0.00014 0.00003 -0.00019 44 4XZ 0.00014 0.00034 0.00018 0.00020 -0.00010 45 4YZ 0.00022 -0.00054 -0.00025 0.00003 0.00012 46 4 H 1S -0.00285 0.00931 0.00189 -0.00201 -0.00107 47 2S -0.00197 0.00934 0.00229 0.00168 -0.00294 48 5 H 1S -0.00219 -0.00258 0.00102 -0.00289 -0.00170 49 2S -0.00170 -0.00309 0.00223 -0.00056 -0.00202 50 6 C 1S -0.00141 0.00048 0.00079 -0.00010 -0.00081 51 2S 0.00317 -0.00119 -0.00142 0.00021 0.00158 52 2PX -0.00071 0.00141 0.00050 0.00113 -0.00084 53 2PY 0.00798 -0.00242 -0.00551 0.00201 0.00502 54 2PZ 0.00089 -0.00010 -0.00057 -0.00072 0.00062 55 3S 0.00578 -0.00205 -0.00202 0.00030 0.00156 56 3PX 0.00017 0.00025 0.00026 0.00015 -0.00036 57 3PY 0.00553 -0.00154 -0.00258 0.00254 0.00200 58 3PZ 0.00031 0.00042 -0.00046 -0.00039 -0.00001 59 4XX -0.00010 0.00015 0.00020 0.00013 -0.00012 60 4YY 0.00008 -0.00004 -0.00025 -0.00024 0.00022 61 4ZZ -0.00023 0.00001 0.00012 -0.00003 -0.00014 62 4XY 0.00017 -0.00020 0.00004 0.00006 -0.00015 63 4XZ -0.00004 0.00007 0.00001 0.00007 -0.00001 64 4YZ -0.00012 -0.00028 -0.00012 -0.00007 0.00013 65 7 H 1S -0.00156 -0.00053 0.00073 -0.00040 -0.00061 66 2S -0.00258 -0.00056 0.00049 -0.00052 -0.00066 67 8 H 1S -0.00095 0.00160 0.00088 0.00042 -0.00061 68 2S -0.00189 0.00277 0.00112 0.00146 -0.00047 69 9 H 1S 0.00087 -0.00038 -0.00061 0.00011 -0.00033 70 2S 0.00158 -0.00142 -0.00078 0.00001 -0.00039 71 10 H 1S 0.01661 -0.01012 -0.00248 0.00185 -0.00038 72 2S 0.01575 -0.00800 -0.00174 0.00345 -0.00063 73 11 C 1S -0.00006 -0.00001 -0.00027 -0.00049 -0.00025 74 2S 0.00034 0.00042 0.00025 0.00107 0.00040 75 2PX -0.00068 0.00201 0.00121 0.00624 0.00128 76 2PY 0.00105 -0.00082 0.00073 -0.00146 0.00017 77 2PZ -0.00064 0.00192 0.00072 0.00557 0.00103 78 3S 0.00166 0.00012 0.00047 0.00208 0.00115 79 3PX -0.00055 0.00204 0.00049 0.00506 0.00046 80 3PY 0.00100 -0.00134 0.00016 -0.00189 0.00014 81 3PZ -0.00052 0.00123 0.00045 0.00355 0.00101 82 4XX -0.00004 0.00004 -0.00002 0.00011 0.00002 83 4YY -0.00001 -0.00003 0.00003 0.00004 0.00003 84 4ZZ 0.00001 -0.00004 -0.00007 -0.00023 -0.00007 85 4XY -0.00012 0.00002 0.00008 0.00026 0.00010 86 4XZ 0.00005 -0.00003 0.00008 -0.00005 -0.00001 87 4YZ -0.00007 -0.00004 0.00009 0.00011 0.00008 88 12 H 1S -0.00020 -0.00035 -0.00021 -0.00085 -0.00011 89 2S -0.00041 -0.00110 -0.00014 -0.00191 -0.00002 90 13 C 1S 0.00008 -0.00037 -0.00009 -0.00101 -0.00034 91 2S -0.00131 -0.00003 0.00067 0.00281 0.00079 92 2PX -0.00200 0.00051 0.00210 0.00613 0.00204 93 2PY -0.00197 0.00059 -0.00062 0.00292 -0.00009 94 2PZ -0.00095 -0.00112 0.00181 0.00196 0.00172 95 3S -0.00283 0.00001 0.00119 0.00364 0.00041 96 3PX -0.00206 0.00072 0.00110 0.00424 0.00209 97 3PY 0.00004 -0.00091 0.00004 0.00156 0.00069 98 3PZ -0.00072 -0.00042 0.00130 0.00217 0.00043 99 4XX 0.00001 -0.00010 -0.00001 -0.00029 0.00008 100 4YY 0.00014 0.00002 -0.00001 0.00009 0.00000 101 4ZZ -0.00002 0.00003 -0.00003 -0.00002 -0.00011 102 4XY 0.00011 -0.00014 -0.00002 -0.00023 -0.00002 103 4XZ 0.00007 -0.00017 0.00011 -0.00027 0.00002 104 4YZ 0.00014 -0.00021 -0.00002 -0.00044 -0.00005 105 14 H 1S -0.00117 0.00140 -0.00047 0.00286 -0.00035 106 2S -0.00043 0.00204 -0.00068 0.00198 -0.00107 107 15 O 1S -0.00013 -0.00009 0.00009 0.00001 0.00003 108 2S 0.00021 0.00017 -0.00023 0.00002 0.00003 109 2PX 0.00019 -0.00017 -0.00114 -0.00185 -0.00049 110 2PY -0.00052 0.00022 -0.00052 0.00038 -0.00004 111 2PZ 0.00105 -0.00057 -0.00061 -0.00295 -0.00065 112 3S 0.00006 0.00031 -0.00019 0.00033 -0.00034 113 3PX 0.00019 -0.00025 -0.00088 -0.00174 -0.00055 114 3PY -0.00055 0.00037 -0.00042 0.00069 -0.00005 115 3PZ 0.00086 -0.00071 -0.00053 -0.00294 -0.00053 116 4XX -0.00001 0.00007 0.00002 0.00018 0.00003 117 4YY -0.00001 0.00001 -0.00003 0.00004 0.00002 118 4ZZ 0.00000 -0.00008 0.00001 -0.00017 0.00000 119 4XY 0.00003 -0.00002 -0.00002 -0.00011 -0.00002 120 4XZ 0.00000 -0.00001 0.00003 0.00000 0.00000 121 4YZ 0.00001 0.00000 0.00000 -0.00001 -0.00001 122 16 O 1S 0.00031 0.00002 0.00009 -0.00001 0.00012 123 2S -0.00073 -0.00011 -0.00027 0.00001 -0.00029 124 2PX -0.00078 0.00042 -0.00104 0.00057 -0.00030 125 2PY 0.00001 -0.00014 -0.00005 -0.00041 -0.00031 126 2PZ 0.00016 0.00074 -0.00024 0.00154 -0.00035 127 3S -0.00081 0.00119 -0.00072 0.00043 0.00029 128 3PX -0.00034 0.00050 -0.00086 0.00000 -0.00015 129 3PY 0.00011 -0.00038 0.00011 -0.00086 -0.00034 130 3PZ 0.00029 0.00026 -0.00033 0.00060 -0.00057 131 4XX -0.00008 -0.00008 0.00008 0.00016 0.00003 132 4YY 0.00004 -0.00002 -0.00001 0.00008 -0.00002 133 4ZZ 0.00001 -0.00004 -0.00003 -0.00016 -0.00008 134 4XY 0.00002 -0.00001 0.00002 0.00003 -0.00001 135 4XZ 0.00006 -0.00005 0.00005 -0.00011 -0.00001 136 4YZ 0.00004 -0.00006 0.00000 -0.00017 0.00001 137 17 C 1S 0.00016 0.00000 -0.00009 -0.00028 -0.00002 138 2S -0.00029 0.00020 0.00008 0.00104 0.00011 139 2PX 0.00007 0.00017 0.00001 0.00041 0.00014 140 2PY 0.00013 -0.00040 0.00031 -0.00030 0.00008 141 2PZ 0.00021 0.00013 -0.00025 -0.00035 -0.00014 142 3S -0.00018 0.00015 0.00022 0.00134 0.00029 143 3PX 0.00014 -0.00034 0.00005 -0.00112 0.00005 144 3PY -0.00008 -0.00038 0.00019 -0.00031 0.00012 145 3PZ 0.00009 0.00009 -0.00030 -0.00021 -0.00027 146 4XX 0.00000 -0.00001 -0.00007 -0.00009 -0.00004 147 4YY 0.00002 0.00000 0.00007 0.00004 0.00001 148 4ZZ 0.00000 -0.00003 -0.00001 -0.00007 -0.00002 149 4XY -0.00001 0.00002 0.00002 0.00005 0.00001 150 4XZ -0.00001 0.00001 0.00000 0.00002 -0.00003 151 4YZ -0.00004 0.00006 0.00000 0.00017 0.00001 152 18 H 1S -0.00002 0.00005 -0.00004 0.00002 0.00002 153 2S -0.00006 -0.00024 0.00024 -0.00091 0.00021 154 19 H 1S -0.00012 -0.00010 -0.00015 -0.00021 -0.00016 155 2S 0.00015 -0.00042 -0.00044 -0.00180 -0.00049 156 20 C 1S -0.00188 0.00102 -0.00015 -0.00043 0.00119 157 2S 0.00432 -0.00219 0.00045 0.00069 -0.00219 158 2PX -0.00015 0.00225 -0.00275 0.00700 -0.00033 159 2PY 0.00999 -0.00354 0.00131 0.00077 -0.00702 160 2PZ -0.00133 0.00127 -0.00152 0.00331 0.00055 161 3S 0.00651 -0.00206 0.00028 0.00345 -0.00406 162 3PX -0.00063 0.00171 -0.00155 0.00529 -0.00029 163 3PY 0.00510 -0.00126 0.00019 0.00079 -0.00247 164 3PZ -0.00001 -0.00015 -0.00092 0.00188 0.00176 165 4XX -0.00018 0.00002 -0.00005 -0.00005 0.00019 166 4YY -0.00003 0.00017 0.00008 -0.00008 -0.00038 167 4ZZ -0.00025 0.00009 0.00001 0.00001 0.00028 168 4XY -0.00002 0.00024 -0.00017 0.00046 -0.00010 169 4XZ 0.00012 0.00002 0.00005 0.00007 -0.00005 170 4YZ 0.00015 0.00013 -0.00016 0.00008 0.00028 171 21 H 1S -0.00254 0.00054 -0.00008 0.00005 0.00100 172 2S -0.00368 0.00158 0.00002 0.00000 0.00029 173 22 C 1S 0.00154 -0.00432 -0.00119 0.00133 0.00441 174 2S -0.00322 0.00759 0.00240 -0.00235 -0.00885 175 2PX -0.00011 0.00521 -0.00464 0.01173 -0.00404 176 2PY -0.01237 0.00907 -0.00014 -0.00179 0.00268 177 2PZ 0.00146 0.00402 -0.00393 0.00216 0.00977 178 3S -0.00540 0.00797 0.00187 -0.00136 -0.00548 179 3PX -0.00019 0.00420 -0.00311 0.00816 -0.00088 180 3PY -0.00295 0.00412 0.00028 0.00078 -0.00025 181 3PZ 0.00067 0.00250 -0.00169 0.00244 0.00174 182 4XX -0.00004 -0.00012 -0.00014 0.00008 0.00041 183 4YY 0.00097 -0.00047 -0.00006 0.00026 -0.00007 184 4ZZ -0.00070 0.00014 0.00003 -0.00040 0.00032 185 4XY 0.00013 -0.00016 0.00001 -0.00009 -0.00014 186 4XZ 0.00045 -0.00045 0.00021 0.00018 -0.00007 187 4YZ -0.00037 0.00037 0.00005 -0.00029 0.00037 188 23 H 1S -0.00561 0.00651 -0.00007 -0.00400 0.00393 189 2S -0.00537 0.00388 -0.00093 -0.00384 0.00621 16 17 18 19 20 16 2 C 1S 2.05500 17 2S -0.06127 0.32648 18 2PX 0.00093 0.00167 0.34806 19 2PY 0.00189 0.00393 0.01329 0.41176 20 2PZ -0.00440 0.00661 -0.03343 0.02026 0.39188 21 3S -0.19724 0.28984 -0.03609 -0.00311 0.00404 22 3PX 0.00432 -0.00675 0.20366 -0.02653 0.03798 23 3PY -0.00730 -0.00801 -0.02062 0.13221 0.01008 24 3PZ 0.00715 -0.01568 0.04381 -0.00360 0.16295 25 4XX -0.01152 -0.01301 -0.00056 0.00536 -0.00786 26 4YY -0.01841 0.00156 -0.00438 -0.02182 -0.00272 27 4ZZ -0.01389 -0.00717 0.00393 0.01018 0.00757 28 4XY -0.00144 0.00304 0.00706 -0.00210 -0.00301 29 4XZ 0.00266 -0.00568 0.00094 -0.00592 0.00640 30 4YZ -0.00112 0.00244 -0.00364 0.00056 0.01153 31 3 C 1S -0.00185 0.00442 0.00271 0.00941 -0.00489 32 2S 0.00477 -0.00902 -0.01142 -0.01819 0.01168 33 2PX -0.00281 0.01133 0.01449 0.00632 -0.01179 34 2PY -0.01017 0.02638 0.02596 0.03587 -0.01566 35 2PZ 0.00285 -0.00919 -0.00869 -0.00567 0.01084 36 3S -0.00283 -0.01173 0.02351 -0.07914 0.03628 37 3PX 0.00073 0.00483 0.01186 0.00030 -0.01381 38 3PY -0.00701 0.02209 0.01082 0.05407 -0.01752 39 3PZ 0.00004 -0.00717 -0.00271 -0.00801 0.01246 40 4XX 0.00008 -0.00025 0.00396 -0.00118 0.00168 41 4YY -0.00050 0.00081 -0.00058 0.00191 -0.00252 42 4ZZ -0.00018 0.00047 -0.00233 0.00068 -0.00083 43 4XY -0.00125 0.00286 0.00351 0.00381 -0.00472 44 4XZ -0.00028 0.00089 -0.00020 0.00096 -0.00139 45 4YZ 0.00096 -0.00189 -0.00452 -0.00261 0.00324 46 4 H 1S -0.00320 0.00897 0.00171 0.00953 -0.01319 47 2S -0.00410 0.00926 -0.00616 0.01882 -0.02676 48 5 H 1S -0.00294 0.01016 0.02661 0.00602 -0.00648 49 2S -0.00398 0.01040 0.03489 0.01525 -0.00839 50 6 C 1S 0.01245 -0.02343 -0.03529 -0.03047 0.04434 51 2S -0.02387 0.03923 0.07307 0.05590 -0.09070 52 2PX 0.05036 -0.10917 -0.11088 -0.09873 0.16258 53 2PY 0.02436 -0.05069 -0.08904 -0.03404 0.07330 54 2PZ -0.04313 0.08695 0.13070 0.08001 -0.12203 55 3S 0.00562 0.02164 0.05135 0.11956 -0.11955 56 3PX 0.01029 -0.03451 -0.06385 -0.04878 0.07925 57 3PY 0.00531 -0.00924 -0.04881 0.00215 0.03637 58 3PZ -0.00753 0.02829 0.06705 0.04357 -0.05116 59 4XX -0.00120 0.00149 -0.00782 0.00275 -0.00489 60 4YY 0.00061 -0.00207 -0.00138 -0.00995 0.00147 61 4ZZ -0.00148 0.00221 0.00631 0.00280 0.00853 62 4XY -0.00314 0.00583 0.00317 -0.00227 -0.00653 63 4XZ 0.00452 -0.00898 -0.00393 -0.00632 0.00383 64 4YZ 0.00301 -0.00543 -0.00660 0.00228 0.00397 65 7 H 1S 0.00836 -0.01870 -0.00911 -0.00248 0.03657 66 2S 0.01148 -0.02123 0.00667 -0.00657 0.08019 67 8 H 1S 0.00795 -0.02392 -0.01978 -0.00539 0.01359 68 2S 0.01397 -0.03294 -0.06197 -0.01326 0.02073 69 9 H 1S -0.05970 0.11297 -0.03520 -0.26373 -0.01748 70 2S -0.01309 0.02619 -0.02575 -0.24306 -0.00195 71 10 H 1S -0.00245 0.00747 -0.00751 0.00907 -0.00815 72 2S -0.00349 0.01330 -0.02097 0.02457 -0.02639 73 11 C 1S -0.00191 0.00226 0.01045 -0.00412 0.00307 74 2S 0.00119 -0.01246 -0.01591 0.00281 -0.00605 75 2PX -0.00278 0.00077 -0.09779 0.03216 -0.05135 76 2PY -0.00055 0.00384 0.02956 -0.01762 0.01085 77 2PZ -0.00680 0.00841 -0.08575 0.02197 -0.05482 78 3S 0.01660 -0.00141 -0.03847 0.03657 0.00401 79 3PX 0.00388 -0.00839 -0.05967 0.02303 -0.04861 80 3PY -0.00032 0.00635 0.03849 0.00656 0.02592 81 3PZ 0.00176 0.00654 -0.05986 0.01566 -0.01920 82 4XX -0.00146 0.00262 -0.00439 0.00223 -0.00496 83 4YY -0.00024 -0.00062 0.00139 -0.00227 0.00099 84 4ZZ -0.00001 -0.00081 0.00199 -0.00006 0.00255 85 4XY 0.00061 -0.00161 0.00191 0.00080 0.00155 86 4XZ -0.00105 0.00254 -0.00603 0.00197 -0.00276 87 4YZ 0.00073 -0.00181 0.00129 0.00056 0.00124 88 12 H 1S 0.00594 -0.01374 0.02005 -0.00145 0.02048 89 2S 0.00633 -0.01188 0.04777 -0.01037 0.03979 90 13 C 1S -0.00087 0.00343 -0.00344 0.00466 -0.00222 91 2S 0.00283 -0.00372 0.00864 -0.00701 0.00610 92 2PX 0.00619 -0.01849 0.00153 -0.00687 0.00517 93 2PY -0.00131 0.00284 -0.01773 0.01469 -0.00846 94 2PZ 0.00593 -0.01547 0.01108 -0.00679 0.00792 95 3S -0.00267 -0.01825 0.00159 -0.04074 -0.00840 96 3PX 0.00473 -0.01317 0.00780 -0.00833 0.02027 97 3PY 0.00245 0.00163 0.01071 0.01192 0.01431 98 3PZ 0.00231 -0.01602 0.00741 -0.00691 -0.00688 99 4XX -0.00011 0.00009 0.00069 0.00038 0.00017 100 4YY 0.00014 -0.00012 -0.00049 -0.00008 -0.00050 101 4ZZ -0.00016 0.00094 0.00017 0.00080 0.00004 102 4XY 0.00026 -0.00002 0.00551 -0.00213 0.00296 103 4XZ 0.00011 -0.00030 0.00243 -0.00095 0.00172 104 4YZ 0.00040 -0.00026 0.00530 -0.00156 0.00302 105 14 H 1S -0.00222 0.00523 -0.01975 0.00845 -0.01146 106 2S -0.00387 0.00705 -0.03694 0.01631 -0.02995 107 15 O 1S -0.00080 0.00323 -0.01017 0.00109 -0.00215 108 2S 0.00254 -0.00637 0.02230 -0.00187 0.00692 109 2PX 0.00853 -0.01660 0.06710 -0.01240 0.02339 110 2PY -0.00046 -0.00075 0.00037 -0.00407 0.00106 111 2PZ 0.00849 -0.01266 0.06266 -0.01547 0.02871 112 3S 0.00024 -0.01663 0.05596 -0.00776 0.00368 113 3PX 0.00458 -0.01337 0.05263 -0.01077 0.01594 114 3PY 0.00000 -0.00326 0.00611 -0.00451 0.00021 115 3PZ 0.00734 -0.00945 0.05375 -0.01511 0.02845 116 4XX 0.00000 0.00038 -0.00448 0.00129 -0.00156 117 4YY 0.00024 0.00060 0.00050 -0.00070 0.00091 118 4ZZ 0.00030 0.00091 0.00049 0.00034 0.00117 119 4XY 0.00036 -0.00092 0.00298 -0.00041 0.00061 120 4XZ -0.00026 0.00082 -0.00234 0.00030 -0.00075 121 4YZ 0.00036 -0.00062 0.00132 0.00011 0.00080 122 16 O 1S -0.00001 -0.00144 0.00293 -0.00131 0.00097 123 2S -0.00034 0.00279 -0.00863 0.00304 -0.00509 124 2PX -0.00122 0.00749 -0.00176 0.00525 -0.00208 125 2PY 0.00047 -0.00171 0.00764 -0.00648 0.00377 126 2PZ -0.00103 0.00641 0.00879 -0.00400 0.00423 127 3S 0.00117 0.00686 -0.01513 0.00912 0.00552 128 3PX -0.00037 0.00749 0.00205 0.00442 0.00288 129 3PY 0.00000 -0.00141 0.00586 -0.00664 0.00112 130 3PZ -0.00187 0.00726 0.00378 -0.00189 -0.00056 131 4XX 0.00035 -0.00081 0.00128 -0.00059 0.00031 132 4YY -0.00018 -0.00013 -0.00077 -0.00001 -0.00102 133 4ZZ -0.00033 0.00025 -0.00123 0.00030 -0.00119 134 4XY -0.00005 -0.00027 -0.00035 0.00010 -0.00028 135 4XZ 0.00003 -0.00021 0.00060 -0.00015 0.00021 136 4YZ 0.00003 -0.00005 0.00071 -0.00019 0.00042 137 17 C 1S 0.00025 0.00030 0.00305 -0.00027 0.00106 138 2S -0.00031 -0.00048 -0.00800 0.00127 -0.00164 139 2PX -0.00129 0.00227 -0.01159 0.00141 -0.00303 140 2PY 0.00216 -0.00425 0.02154 -0.00307 0.00718 141 2PZ -0.00021 0.00115 0.00308 -0.00070 0.00106 142 3S -0.00001 -0.00170 -0.01507 0.00068 -0.00504 143 3PX -0.00087 0.00214 -0.00304 0.00129 -0.00370 144 3PY 0.00159 -0.00264 0.02433 -0.00617 0.01095 145 3PZ 0.00032 -0.00110 0.01072 -0.00092 0.00567 146 4XX 0.00037 -0.00032 0.00284 -0.00049 0.00104 147 4YY -0.00006 0.00006 -0.00155 0.00019 -0.00032 148 4ZZ -0.00013 0.00033 -0.00056 0.00018 -0.00013 149 4XY -0.00017 0.00051 -0.00178 0.00062 -0.00081 150 4XZ 0.00032 -0.00042 0.00163 -0.00015 0.00077 151 4YZ -0.00045 0.00085 -0.00280 0.00052 -0.00116 152 18 H 1S -0.00091 0.00129 -0.00536 0.00107 -0.00245 153 2S -0.00195 0.00381 -0.01257 0.00341 -0.00855 154 19 H 1S 0.00147 -0.00229 0.01300 -0.00190 0.00467 155 2S 0.00182 -0.00120 0.02838 -0.00324 0.00951 156 20 C 1S 0.01829 -0.03409 0.01239 -0.03866 -0.06919 157 2S -0.03683 0.06415 -0.02833 0.07717 0.14346 158 2PX -0.01106 0.02175 0.18508 -0.00800 0.15514 159 2PY 0.03608 -0.07537 0.00695 -0.04808 -0.15463 160 2PZ 0.07377 -0.14891 0.12445 -0.15229 -0.18530 161 3S 0.00988 0.01536 -0.01566 0.09118 0.06509 162 3PX 0.00675 -0.00673 0.12230 -0.02280 0.07099 163 3PY 0.00676 -0.01389 -0.00651 0.00981 -0.08679 164 3PZ 0.00532 -0.03260 0.06173 -0.05131 -0.01352 165 4XX 0.00197 -0.00392 0.00456 -0.00265 -0.00486 166 4YY 0.00129 -0.00347 0.00055 -0.01319 -0.00389 167 4ZZ -0.00368 0.00697 -0.00425 0.00902 -0.00293 168 4XY 0.00130 -0.00251 -0.00541 0.00060 -0.00431 169 4XZ 0.00129 -0.00248 -0.00983 -0.00319 -0.00261 170 4YZ -0.00477 0.00887 -0.00401 -0.00262 0.00892 171 21 H 1S 0.01313 -0.02849 0.00968 -0.00360 -0.04353 172 2S 0.01887 -0.03382 0.02461 0.00075 -0.09435 173 22 C 1S -0.00341 0.00798 -0.00004 0.01133 0.00967 174 2S 0.00807 -0.01929 -0.00056 -0.02656 -0.03083 175 2PX 0.00541 -0.01255 -0.02030 -0.00702 -0.01507 176 2PY -0.01236 0.03291 0.00135 0.03332 0.03603 177 2PZ -0.00315 0.00941 -0.00815 0.00518 0.01547 178 3S -0.00229 -0.01760 0.00376 -0.08494 0.03953 179 3PX -0.00063 -0.00493 -0.02886 -0.00051 0.00303 180 3PY -0.00487 0.01512 -0.01330 0.04834 -0.01009 181 3PZ 0.00784 -0.00431 -0.01603 -0.00224 -0.04198 182 4XX -0.00013 0.00034 -0.00090 0.00028 -0.00083 183 4YY -0.00097 0.00202 -0.00234 0.00417 0.00250 184 4ZZ -0.00006 0.00001 0.00209 -0.00049 0.00267 185 4XY 0.00023 -0.00039 -0.00920 0.00089 -0.00707 186 4XZ 0.00026 -0.00061 0.00195 -0.00082 -0.00019 187 4YZ -0.00211 0.00447 -0.00468 0.00632 0.00613 188 23 H 1S -0.00752 0.01741 0.00114 0.01507 0.03368 189 2S -0.01225 0.02505 0.00494 0.02997 0.06999 21 22 23 24 25 21 3S 0.29496 22 3PX -0.02660 0.13729 23 3PY 0.00448 -0.02063 0.05457 24 3PZ -0.01973 0.05035 -0.00245 0.08471 25 4XX -0.01044 -0.00248 0.00210 -0.00274 0.00131 26 4YY 0.00400 -0.00066 -0.00644 -0.00132 -0.00040 27 4ZZ -0.00758 0.00301 0.00278 0.00360 0.00021 28 4XY 0.00197 0.00337 -0.00158 0.00002 -0.00013 29 4XZ -0.00466 0.00266 -0.00213 0.00278 -0.00009 30 4YZ 0.00249 -0.00027 0.00062 0.00357 -0.00032 31 3 C 1S 0.00091 0.00025 0.00322 -0.00446 0.00049 32 2S -0.00751 -0.00393 -0.00917 0.00895 -0.00105 33 2PX -0.01017 0.01432 -0.01826 -0.02812 0.00029 34 2PY 0.02684 0.01410 0.01257 -0.01791 0.00261 35 2PZ -0.00629 -0.00648 0.01564 0.01018 -0.00120 36 3S -0.00837 0.02786 -0.02702 0.03391 -0.00280 37 3PX -0.00919 0.00944 -0.01127 -0.01688 -0.00017 38 3PY 0.01931 -0.00057 0.01588 -0.01301 0.00162 39 3PZ -0.00479 -0.00174 0.00498 0.00916 -0.00053 40 4XX -0.00004 0.00427 0.00020 0.00040 -0.00003 41 4YY 0.00044 -0.00168 0.00036 -0.00040 0.00007 42 4ZZ -0.00021 -0.00242 -0.00048 -0.00103 0.00011 43 4XY 0.00115 0.00182 0.00018 -0.00262 -0.00022 44 4XZ 0.00088 -0.00036 -0.00069 -0.00123 0.00009 45 4YZ -0.00205 -0.00193 -0.00043 0.00098 -0.00022 46 4 H 1S 0.01007 -0.00387 -0.00607 -0.00743 0.00164 47 2S 0.00762 -0.01617 -0.00412 -0.01779 0.00274 48 5 H 1S -0.00176 0.02367 -0.00779 -0.01450 -0.00042 49 2S 0.00320 0.03044 0.00112 -0.01391 -0.00049 50 6 C 1S 0.00045 -0.00141 -0.00522 0.00495 -0.00219 51 2S 0.01445 0.01211 0.01562 -0.01765 0.00330 52 2PX -0.07914 -0.04800 -0.01177 0.06189 0.00905 53 2PY -0.03467 -0.03915 -0.01248 0.02979 -0.00399 54 2PZ 0.08776 0.03583 0.01766 -0.03646 0.00596 55 3S -0.01062 -0.01694 0.02756 -0.03165 0.00540 56 3PX -0.01732 -0.02880 -0.00392 0.02824 0.00353 57 3PY -0.00269 -0.02445 -0.00249 0.00975 -0.00217 58 3PZ 0.02191 0.02011 0.00485 -0.01300 0.00302 59 4XX 0.00334 -0.00666 0.00198 -0.00384 0.00072 60 4YY -0.00147 0.00061 -0.00357 0.00113 -0.00032 61 4ZZ -0.00011 0.00559 0.00017 0.00426 -0.00052 62 4XY 0.00435 0.00184 -0.00204 -0.00332 -0.00046 63 4XZ -0.00769 -0.00153 -0.00117 0.00184 0.00047 64 4YZ -0.00511 -0.00297 0.00178 0.00097 -0.00009 65 7 H 1S -0.03673 0.00756 0.00133 0.01690 -0.00285 66 2S -0.03791 0.02722 -0.00326 0.03479 -0.00439 67 8 H 1S -0.01361 -0.02683 0.01041 0.00831 0.00923 68 2S -0.01155 -0.04531 0.01097 0.00069 0.00809 69 9 H 1S 0.11224 -0.00186 -0.08472 -0.01086 -0.00808 70 2S 0.03322 0.00825 -0.07259 0.00242 -0.00536 71 10 H 1S 0.00688 -0.00884 -0.00879 -0.00675 0.00001 72 2S 0.01494 -0.02064 -0.00317 -0.01925 -0.00007 73 11 C 1S 0.00736 0.00016 -0.00113 0.00495 -0.00120 74 2S -0.00224 -0.00253 0.00539 -0.00811 0.00208 75 2PX -0.00433 -0.06449 0.01113 -0.04446 0.00430 76 2PY 0.00412 0.01748 0.00010 0.02315 -0.00265 77 2PZ 0.03605 -0.06133 0.02252 -0.04191 0.00371 78 3S 0.01249 -0.01576 0.01736 -0.01204 0.00249 79 3PX -0.00448 -0.04299 0.00883 -0.03642 0.00368 80 3PY 0.00189 0.02840 -0.00060 0.02144 -0.00205 81 3PZ 0.01925 -0.03897 0.01297 -0.02243 0.00196 82 4XX 0.00644 -0.00372 0.00285 -0.00390 -0.00017 83 4YY -0.00156 0.00105 -0.00071 0.00119 -0.00007 84 4ZZ -0.00407 0.00148 -0.00237 0.00183 0.00014 85 4XY 0.00058 0.00161 0.00199 0.00098 0.00005 86 4XZ 0.00227 -0.00458 0.00122 -0.00203 -0.00007 87 4YZ -0.00154 0.00227 0.00039 -0.00020 0.00008 88 12 H 1S -0.02774 0.02241 -0.01078 0.00694 0.00071 89 2S -0.03184 0.04283 -0.01633 0.02255 -0.00073 90 13 C 1S -0.00213 -0.00297 -0.00141 -0.00268 0.00024 91 2S -0.00189 0.00748 0.00025 0.00516 -0.00031 92 2PX 0.00819 0.01489 0.01513 -0.00048 0.00132 93 2PY 0.00287 -0.01449 -0.00249 -0.01828 0.00116 94 2PZ -0.00659 0.02527 0.01079 -0.00222 0.00147 95 3S -0.00769 0.00369 -0.00119 -0.00020 0.00016 96 3PX 0.00343 0.01690 0.00929 0.00661 0.00039 97 3PY 0.00772 0.01283 0.00429 0.00162 -0.00021 98 3PZ -0.00611 0.01364 0.00605 -0.00699 0.00149 99 4XX 0.00056 0.00101 0.00093 -0.00019 -0.00003 100 4YY 0.00089 -0.00030 0.00031 -0.00009 0.00003 101 4ZZ -0.00069 -0.00048 -0.00111 -0.00006 -0.00001 102 4XY 0.00010 0.00378 -0.00086 0.00268 -0.00023 103 4XZ 0.00099 0.00245 0.00085 0.00179 -0.00010 104 4YZ -0.00195 0.00410 -0.00126 0.00252 -0.00018 105 14 H 1S 0.00691 -0.02159 -0.00274 -0.01012 0.00033 106 2S 0.00480 -0.03765 -0.00383 -0.02118 0.00134 107 15 O 1S 0.00127 -0.00270 -0.00192 -0.00631 0.00007 108 2S 0.00423 0.00708 0.00657 0.01280 -0.00010 109 2PX -0.04936 0.04596 -0.03006 0.03039 0.00318 110 2PY 0.02146 0.01153 -0.00694 -0.01305 -0.00017 111 2PZ -0.09319 0.03876 -0.05514 0.04212 0.00239 112 3S -0.01872 0.02396 0.00105 0.02411 -0.00023 113 3PX -0.04153 0.03474 -0.02547 0.02293 0.00184 114 3PY 0.01005 0.01135 -0.00590 -0.00769 0.00012 115 3PZ -0.06617 0.03455 -0.04030 0.03580 0.00148 116 4XX 0.00018 -0.00305 0.00033 -0.00152 0.00024 117 4YY 0.00181 0.00119 -0.00060 -0.00050 -0.00007 118 4ZZ 0.00199 0.00065 0.00101 0.00018 -0.00017 119 4XY -0.00206 0.00210 -0.00104 0.00124 0.00014 120 4XZ 0.00049 -0.00173 0.00003 -0.00065 -0.00002 121 4YZ -0.00379 0.00077 -0.00171 0.00118 0.00016 122 16 O 1S 0.00488 0.00216 0.00271 0.00096 -0.00013 123 2S -0.01224 -0.00631 -0.00629 -0.00473 0.00036 124 2PX -0.01579 -0.00693 -0.01700 -0.00529 0.00026 125 2PY 0.00895 0.00816 -0.00072 0.00861 -0.00028 126 2PZ -0.00409 0.00002 -0.01293 0.00899 -0.00070 127 3S -0.00948 -0.01184 -0.00523 0.00184 0.00001 128 3PX -0.01005 -0.00345 -0.01298 0.00034 -0.00011 129 3PY 0.00576 0.00652 -0.00104 0.00568 -0.00023 130 3PZ -0.00267 -0.00367 -0.01075 0.00435 -0.00065 131 4XX -0.00064 0.00134 0.00004 0.00026 0.00006 132 4YY -0.00021 -0.00067 0.00000 -0.00118 0.00002 133 4ZZ 0.00068 -0.00121 0.00036 -0.00069 -0.00001 134 4XY 0.00066 -0.00015 0.00058 -0.00022 0.00001 135 4XZ -0.00004 0.00064 0.00008 0.00037 0.00001 136 4YZ -0.00015 0.00054 0.00018 0.00032 -0.00004 137 17 C 1S -0.00365 0.00196 -0.00133 0.00169 0.00011 138 2S 0.00581 -0.00379 0.00150 -0.00599 -0.00002 139 2PX 0.01163 -0.00372 0.00272 -0.01166 -0.00056 140 2PY -0.01282 0.01416 0.00053 0.01087 0.00042 141 2PZ 0.00570 0.00393 0.00583 0.00116 -0.00026 142 3S 0.00452 -0.00715 0.00131 -0.00866 0.00039 143 3PX -0.00003 -0.00162 -0.00252 -0.00269 -0.00003 144 3PY -0.00213 0.01863 -0.00110 0.01058 -0.00030 145 3PZ -0.00781 0.00674 -0.00403 0.00586 0.00010 146 4XX -0.00288 0.00167 -0.00232 0.00119 0.00011 147 4YY 0.00082 -0.00109 0.00090 -0.00026 -0.00008 148 4ZZ 0.00190 -0.00021 0.00131 -0.00039 -0.00006 149 4XY -0.00034 -0.00149 0.00051 -0.00065 0.00003 150 4XZ -0.00343 0.00067 -0.00198 0.00152 0.00013 151 4YZ 0.00350 -0.00205 0.00136 -0.00156 -0.00013 152 18 H 1S 0.01259 -0.00161 0.00913 -0.00402 -0.00030 153 2S 0.02176 -0.00657 0.01543 -0.00774 -0.00054 154 19 H 1S -0.01690 0.00536 -0.01131 0.00905 0.00059 155 2S -0.03018 0.01314 -0.02101 0.01806 0.00059 156 20 C 1S -0.01212 -0.00113 -0.01096 -0.01420 0.00273 157 2S 0.03975 0.00083 0.02819 0.03771 -0.00564 158 2PX 0.00525 0.13647 -0.01905 0.08618 -0.00668 159 2PY -0.05231 -0.00089 -0.00495 -0.07007 0.00270 160 2PZ -0.16038 0.05896 -0.06056 -0.04948 0.00695 161 3S -0.02270 -0.00678 0.01575 0.00432 -0.00164 162 3PX -0.01734 0.08921 -0.01810 0.04290 -0.00346 163 3PY -0.00845 -0.01738 0.00171 -0.04052 0.00211 164 3PZ -0.02881 0.04078 -0.01480 0.00628 0.00054 165 4XX -0.00328 0.00208 -0.00122 -0.00044 0.00031 166 4YY -0.00259 0.00144 -0.00387 -0.00131 -0.00010 167 4ZZ 0.00665 -0.00436 0.00294 -0.00244 0.00005 168 4XY -0.00318 -0.00488 -0.00019 -0.00331 0.00023 169 4XZ -0.00009 -0.00572 -0.00001 -0.00243 0.00016 170 4YZ 0.01057 -0.00127 -0.00078 0.00333 -0.00051 171 21 H 1S -0.05096 -0.00513 -0.00620 -0.01780 0.00266 172 2S -0.05609 -0.00565 -0.00887 -0.03496 0.00408 173 22 C 1S 0.00743 -0.00134 0.00358 0.00624 0.00015 174 2S -0.02031 0.00032 -0.00994 -0.01710 -0.00027 175 2PX -0.03535 -0.03304 -0.01859 -0.02800 0.00015 176 2PY 0.02436 -0.01269 -0.00549 0.02715 0.00142 177 2PZ 0.04836 -0.01261 0.00172 0.01979 0.00056 178 3S -0.00697 0.01824 -0.02367 0.01895 -0.00150 179 3PX -0.00873 -0.02990 -0.00680 -0.01319 0.00047 180 3PY 0.01038 -0.02150 0.00670 -0.00703 0.00176 181 3PZ 0.00556 -0.02054 -0.00326 -0.01937 0.00097 182 4XX 0.00071 -0.00117 0.00000 -0.00010 0.00010 183 4YY 0.00160 -0.00134 0.00112 -0.00030 -0.00013 184 4ZZ 0.00096 0.00201 0.00076 0.00245 0.00000 185 4XY -0.00060 -0.00718 0.00061 -0.00467 0.00027 186 4XZ -0.00079 0.00227 0.00000 -0.00033 -0.00002 187 4YZ 0.00696 -0.00239 0.00317 0.00243 -0.00016 188 23 H 1S 0.04089 0.00126 0.00637 0.02891 -0.00010 189 2S 0.04750 0.00786 0.01440 0.04541 -0.00099 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00083 0.00132 28 4XY 0.00015 -0.00013 0.00037 29 4XZ 0.00034 0.00008 0.00002 0.00091 30 4YZ 0.00010 0.00004 -0.00024 0.00013 0.00071 31 3 C 1S -0.00143 0.00044 -0.00078 -0.00012 0.00080 32 2S 0.00322 -0.00111 0.00142 0.00023 -0.00150 33 2PX -0.00068 0.00127 -0.00045 0.00102 0.00068 34 2PY -0.00819 0.00237 -0.00544 -0.00214 0.00484 35 2PZ 0.00083 -0.00033 0.00060 -0.00083 -0.00055 36 3S 0.00572 -0.00197 0.00193 0.00035 -0.00159 37 3PX 0.00027 0.00038 -0.00006 0.00042 0.00037 38 3PY -0.00559 0.00156 -0.00243 -0.00261 0.00191 39 3PZ 0.00032 0.00021 0.00038 -0.00012 -0.00014 40 4XX -0.00011 0.00014 -0.00020 0.00013 0.00011 41 4YY 0.00009 -0.00005 0.00026 -0.00024 -0.00023 42 4ZZ -0.00022 0.00002 -0.00012 -0.00004 0.00015 43 4XY -0.00016 0.00019 0.00007 -0.00006 -0.00018 44 4XZ -0.00006 0.00001 -0.00001 0.00005 0.00001 45 4YZ 0.00013 0.00023 -0.00009 0.00007 0.00009 46 4 H 1S -0.00149 -0.00048 -0.00077 -0.00038 0.00063 47 2S -0.00240 -0.00060 -0.00060 -0.00024 0.00069 48 5 H 1S -0.00110 0.00143 -0.00086 0.00035 0.00049 49 2S -0.00216 0.00236 -0.00116 0.00095 0.00025 50 6 C 1S 0.00154 -0.00134 -0.00241 0.00435 0.00283 51 2S -0.00340 0.00154 0.00466 -0.00802 -0.00547 52 2PX 0.00257 -0.00369 -0.00354 0.00317 0.00655 53 2PY 0.00957 -0.00294 0.00334 0.00574 -0.00238 54 2PZ -0.00299 -0.00965 0.00546 -0.00339 -0.00412 55 3S -0.00714 0.00257 0.00420 -0.01033 -0.00646 56 3PX 0.00216 -0.00278 -0.00181 0.00091 0.00374 57 3PY 0.00372 -0.00108 0.00157 0.00318 -0.00066 58 3PZ -0.00225 -0.00346 0.00249 -0.00130 -0.00188 59 4XX -0.00025 -0.00051 -0.00022 -0.00023 0.00007 60 4YY 0.00085 -0.00034 0.00017 0.00033 -0.00011 61 4ZZ -0.00043 0.00079 -0.00012 0.00004 0.00032 62 4XY 0.00026 -0.00005 0.00014 0.00000 -0.00019 63 4XZ 0.00015 0.00002 -0.00015 0.00017 0.00010 64 4YZ -0.00013 0.00049 -0.00025 0.00001 0.00010 65 7 H 1S -0.00254 0.00831 -0.00205 -0.00192 0.00117 66 2S -0.00216 0.00826 -0.00233 0.00118 0.00282 67 8 H 1S -0.00260 -0.00335 -0.00053 -0.00302 0.00143 68 2S -0.00164 -0.00347 -0.00188 -0.00013 0.00202 69 9 H 1S 0.01664 -0.01021 0.00225 0.00185 0.00089 70 2S 0.01577 -0.00823 0.00150 0.00344 0.00101 71 10 H 1S 0.00086 -0.00031 0.00061 0.00011 0.00038 72 2S 0.00156 -0.00122 0.00079 -0.00003 0.00052 73 11 C 1S 0.00008 -0.00043 0.00013 -0.00102 0.00031 74 2S -0.00133 0.00009 -0.00076 0.00281 -0.00073 75 2PX -0.00199 0.00066 -0.00217 0.00589 -0.00197 76 2PY 0.00200 -0.00075 -0.00053 -0.00293 -0.00007 77 2PZ -0.00085 -0.00128 -0.00182 0.00169 -0.00164 78 3S -0.00287 0.00031 -0.00123 0.00357 -0.00027 79 3PX -0.00203 0.00066 -0.00118 0.00404 -0.00199 80 3PY -0.00003 0.00083 0.00010 -0.00152 0.00061 81 3PZ -0.00071 -0.00039 -0.00126 0.00204 -0.00041 82 4XX 0.00001 -0.00010 0.00002 -0.00030 -0.00009 83 4YY 0.00015 0.00002 0.00001 0.00008 0.00000 84 4ZZ -0.00003 0.00005 0.00002 0.00001 0.00010 85 4XY -0.00011 0.00013 -0.00001 0.00024 -0.00002 86 4XZ 0.00007 -0.00015 -0.00011 -0.00028 -0.00001 87 4YZ -0.00013 0.00021 -0.00003 0.00044 -0.00005 88 12 H 1S -0.00120 0.00149 0.00040 0.00291 0.00030 89 2S -0.00047 0.00206 0.00064 0.00213 0.00093 90 13 C 1S -0.00009 0.00003 0.00027 -0.00049 0.00026 91 2S 0.00038 0.00035 -0.00024 0.00107 -0.00040 92 2PX -0.00061 0.00186 -0.00123 0.00614 -0.00133 93 2PY -0.00101 0.00083 0.00075 0.00136 0.00014 94 2PZ -0.00061 0.00179 -0.00074 0.00553 -0.00108 95 3S 0.00173 -0.00004 -0.00047 0.00208 -0.00118 96 3PX -0.00050 0.00192 -0.00047 0.00505 -0.00059 97 3PY -0.00096 0.00133 0.00018 0.00188 0.00012 98 3PZ -0.00051 0.00109 -0.00052 0.00347 -0.00099 99 4XX -0.00004 0.00004 0.00002 0.00010 -0.00003 100 4YY -0.00001 -0.00003 -0.00003 0.00005 -0.00003 101 4ZZ 0.00001 -0.00003 0.00007 -0.00023 0.00008 102 4XY 0.00012 -0.00003 0.00009 -0.00025 0.00010 103 4XZ 0.00006 -0.00004 -0.00007 -0.00006 0.00001 104 4YZ 0.00007 0.00005 0.00009 -0.00010 0.00008 105 14 H 1S -0.00020 -0.00033 0.00022 -0.00086 0.00014 106 2S -0.00042 -0.00109 0.00012 -0.00203 0.00010 107 15 O 1S 0.00031 0.00004 -0.00009 -0.00003 -0.00010 108 2S -0.00072 -0.00015 0.00028 0.00005 0.00024 109 2PX -0.00076 0.00029 0.00099 0.00078 0.00022 110 2PY 0.00000 0.00008 -0.00007 0.00041 -0.00032 111 2PZ 0.00014 0.00081 0.00014 0.00175 0.00031 112 3S -0.00076 0.00093 0.00070 0.00048 -0.00038 113 3PX -0.00032 0.00039 0.00081 0.00016 0.00010 114 3PY -0.00010 0.00032 0.00009 0.00087 -0.00036 115 3PZ 0.00027 0.00035 0.00027 0.00079 0.00052 116 4XX -0.00008 -0.00006 -0.00009 0.00016 -0.00002 117 4YY 0.00004 -0.00001 0.00001 0.00008 0.00001 118 4ZZ 0.00001 -0.00002 0.00004 -0.00015 0.00007 119 4XY -0.00002 0.00000 0.00002 -0.00002 -0.00001 120 4XZ 0.00005 -0.00005 -0.00005 -0.00012 0.00001 121 4YZ -0.00004 0.00007 -0.00001 0.00018 0.00001 122 16 O 1S -0.00012 -0.00011 -0.00008 0.00001 -0.00003 123 2S 0.00020 0.00021 0.00021 0.00001 -0.00001 124 2PX 0.00014 -0.00009 0.00111 -0.00177 0.00052 125 2PY 0.00051 -0.00024 -0.00053 -0.00033 -0.00005 126 2PZ 0.00103 -0.00050 0.00060 -0.00287 0.00068 127 3S 0.00003 0.00041 0.00019 0.00036 0.00033 128 3PX 0.00016 -0.00017 0.00088 -0.00166 0.00056 129 3PY 0.00053 -0.00039 -0.00043 -0.00065 -0.00006 130 3PZ 0.00084 -0.00064 0.00052 -0.00289 0.00057 131 4XX -0.00001 0.00007 -0.00002 0.00018 -0.00003 132 4YY -0.00001 0.00001 0.00003 0.00004 -0.00002 133 4ZZ 0.00000 -0.00008 -0.00001 -0.00017 0.00001 134 4XY -0.00003 0.00002 -0.00002 0.00010 -0.00002 135 4XZ 0.00000 -0.00001 -0.00003 0.00000 0.00000 136 4YZ -0.00001 -0.00001 0.00000 0.00002 -0.00001 137 17 C 1S 0.00016 0.00000 0.00009 -0.00027 0.00002 138 2S -0.00029 0.00021 -0.00009 0.00102 -0.00010 139 2PX 0.00007 0.00021 -0.00001 0.00038 -0.00014 140 2PY -0.00011 0.00033 0.00033 0.00033 0.00003 141 2PZ 0.00020 0.00012 0.00027 -0.00034 0.00013 142 3S -0.00017 0.00015 -0.00023 0.00130 -0.00027 143 3PX 0.00014 -0.00030 -0.00004 -0.00112 -0.00003 144 3PY 0.00010 0.00031 0.00021 0.00034 0.00006 145 3PZ 0.00009 0.00012 0.00029 -0.00016 0.00027 146 4XX -0.00001 -0.00001 0.00007 -0.00007 0.00004 147 4YY 0.00002 0.00000 -0.00007 0.00004 -0.00001 148 4ZZ 0.00000 -0.00003 0.00001 -0.00008 0.00002 149 4XY 0.00001 -0.00002 0.00002 -0.00005 0.00001 150 4XZ -0.00001 0.00001 0.00000 0.00002 0.00003 151 4YZ 0.00004 -0.00006 0.00000 -0.00018 0.00001 152 18 H 1S -0.00002 0.00002 0.00005 0.00000 -0.00002 153 2S -0.00005 -0.00028 -0.00020 -0.00098 -0.00022 154 19 H 1S -0.00013 -0.00009 0.00013 -0.00015 0.00016 155 2S 0.00014 -0.00037 0.00042 -0.00169 0.00048 156 20 C 1S 0.00169 -0.00437 0.00111 0.00132 -0.00429 157 2S -0.00351 0.00761 -0.00226 -0.00235 0.00857 158 2PX -0.00025 0.00508 0.00453 0.01226 0.00382 159 2PY 0.01226 -0.00893 -0.00034 0.00166 0.00342 160 2PZ 0.00199 0.00389 0.00380 0.00223 -0.00981 161 3S -0.00552 0.00815 -0.00179 -0.00115 0.00538 162 3PX -0.00019 0.00417 0.00303 0.00853 0.00073 163 3PY 0.00298 -0.00385 0.00025 -0.00082 0.00004 164 3PZ 0.00074 0.00229 0.00168 0.00237 -0.00192 165 4XX -0.00003 -0.00013 0.00014 0.00009 -0.00041 166 4YY 0.00095 -0.00048 0.00004 0.00025 0.00008 167 4ZZ -0.00069 0.00017 -0.00002 -0.00040 -0.00031 168 4XY -0.00014 0.00017 0.00001 0.00008 -0.00014 169 4XZ 0.00045 -0.00047 -0.00021 0.00016 0.00008 170 4YZ 0.00039 -0.00039 0.00004 0.00031 0.00040 171 21 H 1S -0.00552 0.00665 0.00014 -0.00406 -0.00420 172 2S -0.00519 0.00424 0.00096 -0.00382 -0.00636 173 22 C 1S -0.00183 0.00103 0.00018 -0.00042 -0.00126 174 2S 0.00424 -0.00217 -0.00051 0.00066 0.00233 175 2PX -0.00020 0.00233 0.00255 0.00713 0.00039 176 2PY -0.00979 0.00343 0.00132 -0.00075 -0.00732 177 2PZ -0.00151 0.00135 0.00154 0.00336 -0.00068 178 3S 0.00631 -0.00258 -0.00050 0.00333 0.00414 179 3PX -0.00068 0.00167 0.00140 0.00531 0.00032 180 3PY -0.00503 0.00139 0.00023 -0.00076 -0.00250 181 3PZ -0.00004 0.00008 0.00094 0.00195 -0.00171 182 4XX -0.00018 0.00002 0.00005 -0.00004 -0.00020 183 4YY -0.00003 0.00018 -0.00007 -0.00008 0.00037 184 4ZZ -0.00025 0.00009 -0.00001 0.00001 -0.00028 185 4XY 0.00002 -0.00023 -0.00017 -0.00048 -0.00009 186 4XZ 0.00012 0.00001 -0.00006 0.00006 0.00004 187 4YZ -0.00015 -0.00012 -0.00015 -0.00009 0.00030 188 23 H 1S -0.00251 0.00050 0.00013 0.00009 -0.00108 189 2S -0.00364 0.00151 0.00004 0.00006 -0.00043 31 32 33 34 35 31 3 C 1S 2.05090 32 2S -0.05356 0.30686 33 2PX -0.00245 0.00366 0.39920 34 2PY -0.00213 0.00082 0.00300 0.38074 35 2PZ 0.00066 0.00104 0.00813 -0.00403 0.40089 36 3S -0.18791 0.28290 -0.02418 -0.00442 0.03415 37 3PX 0.00122 0.00512 0.18033 0.00157 -0.00273 38 3PY 0.00035 0.00329 0.01069 0.17364 0.00036 39 3PZ 0.00092 -0.00398 -0.00149 -0.00210 0.18337 40 4XX -0.01775 -0.00036 0.01497 0.00906 0.00934 41 4YY -0.01553 -0.00522 -0.00094 -0.01525 0.00014 42 4ZZ -0.01661 -0.00286 -0.01091 0.00942 -0.01307 43 4XY -0.00075 0.00152 0.01405 0.00004 0.00112 44 4XZ -0.00081 0.00205 0.00745 0.00067 -0.01282 45 4YZ 0.00124 -0.00228 0.00136 -0.00136 0.01423 46 4 H 1S -0.05099 0.09879 -0.07642 0.09007 -0.24305 47 2S -0.00354 0.01694 -0.07026 0.07494 -0.22967 48 5 H 1S -0.05415 0.10538 0.24647 0.08299 0.05079 49 2S -0.00868 0.02519 0.21613 0.07087 0.05296 50 6 C 1S 0.01008 -0.01963 0.00306 0.06231 -0.00154 51 2S -0.01955 0.03090 -0.00713 -0.12875 0.00303 52 2PX 0.00358 -0.00769 0.00264 0.00329 -0.00409 53 2PY -0.06211 0.12827 -0.00197 -0.31510 -0.00281 54 2PZ -0.00233 0.00520 -0.00556 -0.00225 0.00472 55 3S 0.00702 0.01106 -0.00527 -0.12457 0.00198 56 3PX 0.00103 -0.00522 -0.00842 0.00032 0.00225 57 3PY -0.01349 0.04089 0.01502 -0.14796 -0.01138 58 3PZ -0.00186 0.00564 0.00069 0.00443 -0.00654 59 4XX 0.00204 -0.00479 0.00001 0.00733 -0.00093 60 4YY -0.00688 0.01189 0.00052 -0.00825 -0.00033 61 4ZZ 0.00202 -0.00491 0.00050 0.00781 0.00018 62 4XY -0.00038 0.00051 0.01088 -0.00026 0.00056 63 4XZ 0.00003 -0.00021 -0.00079 -0.00093 -0.00018 64 4YZ -0.00007 0.00026 0.00060 -0.00066 0.01125 65 7 H 1S 0.00771 -0.01982 0.00591 0.03057 0.02138 66 2S 0.00848 -0.01937 0.01587 0.05712 0.03609 67 8 H 1S 0.00827 -0.02033 -0.02212 0.02547 -0.00904 68 2S 0.01077 -0.02282 -0.03256 0.04750 -0.02210 69 9 H 1S -0.00730 0.01450 -0.00326 -0.03630 0.00266 70 2S -0.00902 0.01830 -0.01412 -0.05983 0.01438 71 10 H 1S 0.01200 -0.02366 0.02560 -0.03125 -0.02309 72 2S 0.01507 -0.02668 0.05140 -0.05823 -0.04670 73 11 C 1S -0.00114 0.00219 -0.00240 -0.00166 0.00243 74 2S 0.00178 -0.00414 0.00423 0.00229 -0.00306 75 2PX 0.00885 -0.01831 0.02039 0.00627 -0.01003 76 2PY -0.00077 0.00169 0.00042 0.00067 -0.00078 77 2PZ 0.00638 -0.01428 0.01410 0.00462 -0.01079 78 3S 0.00624 -0.00842 0.01343 0.00802 -0.01755 79 3PX 0.00685 -0.01794 0.01937 0.00319 -0.01180 80 3PY -0.00099 0.00316 0.00309 0.00163 0.00268 81 3PZ 0.00566 -0.00699 0.00804 0.00883 -0.00573 82 4XX -0.00014 0.00019 -0.00069 -0.00033 -0.00017 83 4YY 0.00004 0.00010 0.00044 -0.00028 0.00029 84 4ZZ -0.00044 0.00078 -0.00078 -0.00017 0.00083 85 4XY 0.00020 -0.00077 0.00115 -0.00038 0.00013 86 4XZ 0.00013 -0.00014 0.00008 0.00034 0.00006 87 4YZ 0.00022 -0.00041 0.00080 0.00030 -0.00018 88 12 H 1S -0.00049 0.00180 -0.00030 0.00116 0.00355 89 2S -0.00211 0.00559 -0.00099 0.00294 0.01096 90 13 C 1S -0.00261 0.00389 -0.00852 0.00162 -0.00445 91 2S 0.00488 -0.00806 0.01863 -0.00328 0.00813 92 2PX 0.00790 -0.02164 0.02854 -0.00276 0.00596 93 2PY 0.00352 -0.00717 0.01323 -0.00541 0.01042 94 2PZ 0.00132 -0.00255 0.00586 0.00422 -0.01020 95 3S 0.00812 -0.01884 0.03822 -0.00984 0.02948 96 3PX 0.00608 -0.00774 0.00947 0.00070 0.00097 97 3PY 0.00446 -0.00722 0.02202 -0.00405 0.01077 98 3PZ 0.00092 -0.01092 0.01919 0.00266 -0.00701 99 4XX -0.00098 0.00146 -0.00356 0.00007 -0.00057 100 4YY 0.00005 -0.00066 0.00098 -0.00023 -0.00011 101 4ZZ -0.00018 -0.00008 0.00066 -0.00043 0.00046 102 4XY -0.00020 0.00039 -0.00061 -0.00024 0.00054 103 4XZ 0.00001 -0.00006 -0.00014 -0.00019 0.00096 104 4YZ -0.00076 0.00131 -0.00183 -0.00007 -0.00063 105 14 H 1S 0.00439 -0.00932 0.01381 -0.00272 0.00621 106 2S 0.00000 -0.00468 -0.00024 0.00309 -0.01182 107 15 O 1S 0.00015 0.00042 -0.00040 0.00048 -0.00058 108 2S -0.00021 -0.00069 0.00056 -0.00048 0.00107 109 2PX -0.00401 0.00761 -0.00829 -0.00485 0.00504 110 2PY -0.00074 -0.00081 0.00008 -0.00251 0.00220 111 2PZ -0.00372 0.00786 -0.00759 -0.00167 0.00543 112 3S -0.00063 -0.00506 0.00770 -0.00511 0.00330 113 3PX -0.00372 0.00611 -0.00715 -0.00559 0.00503 114 3PY -0.00027 -0.00164 0.00093 -0.00199 0.00132 115 3PZ -0.00377 0.00855 -0.00882 -0.00143 0.00464 116 4XX 0.00027 -0.00037 0.00022 0.00052 -0.00046 117 4YY 0.00008 0.00011 -0.00010 0.00002 -0.00014 118 4ZZ -0.00004 0.00042 -0.00045 0.00035 0.00005 119 4XY -0.00016 0.00026 -0.00028 -0.00002 0.00008 120 4XZ 0.00001 0.00002 0.00000 0.00012 0.00011 121 4YZ 0.00001 0.00005 0.00011 0.00003 0.00011 122 16 O 1S 0.00050 -0.00160 0.00375 -0.00117 0.00127 123 2S -0.00135 0.00291 -0.00650 0.00254 -0.00140 124 2PX -0.00321 0.01064 -0.01485 0.00139 -0.00079 125 2PY -0.00172 -0.00192 -0.00025 0.00205 0.00189 126 2PZ -0.00012 -0.00105 -0.00208 -0.00208 0.00978 127 3S -0.00124 0.01119 -0.02985 0.00723 -0.01347 128 3PX -0.00243 0.01023 -0.01548 0.00000 -0.00207 129 3PY -0.00170 -0.00115 0.00131 0.00049 0.00244 130 3PZ -0.00059 -0.00056 0.00080 -0.00202 0.00942 131 4XX 0.00017 -0.00095 0.00196 -0.00018 0.00092 132 4YY -0.00004 -0.00047 0.00074 -0.00019 0.00042 133 4ZZ -0.00030 -0.00015 0.00021 0.00014 0.00077 134 4XY 0.00011 -0.00070 0.00090 -0.00033 0.00013 135 4XZ -0.00010 -0.00014 0.00039 -0.00003 0.00004 136 4YZ -0.00006 0.00045 -0.00052 0.00006 -0.00052 137 17 C 1S -0.00056 0.00088 -0.00143 0.00081 -0.00001 138 2S 0.00154 -0.00327 0.00500 -0.00167 -0.00012 139 2PX 0.00162 -0.00272 0.00393 -0.00222 0.00092 140 2PY 0.00105 -0.00136 0.00601 -0.00283 0.00298 141 2PZ -0.00055 0.00142 -0.00245 0.00042 -0.00225 142 3S 0.00216 -0.00375 0.00694 -0.00452 -0.00067 143 3PX -0.00085 0.00250 -0.00240 -0.00095 0.00535 144 3PY 0.00014 -0.00057 0.00561 -0.00222 0.00344 145 3PZ -0.00083 0.00144 -0.00121 0.00005 0.00126 146 4XX -0.00030 0.00072 -0.00087 -0.00010 0.00025 147 4YY 0.00023 -0.00062 0.00082 0.00005 0.00002 148 4ZZ -0.00011 0.00018 -0.00017 0.00007 -0.00034 149 4XY 0.00013 0.00008 -0.00021 0.00008 -0.00021 150 4XZ -0.00007 0.00003 0.00001 0.00004 0.00054 151 4YZ 0.00009 -0.00026 0.00003 0.00009 0.00014 152 18 H 1S 0.00011 0.00003 -0.00020 0.00022 -0.00289 153 2S -0.00052 0.00154 -0.00283 0.00261 -0.00218 154 19 H 1S -0.00121 0.00235 -0.00292 -0.00014 0.00217 155 2S -0.00358 0.00754 -0.00999 0.00036 0.00700 156 20 C 1S -0.00265 0.00470 -0.00543 -0.00387 0.00579 157 2S 0.00521 -0.00894 0.00852 0.00923 -0.01067 158 2PX 0.00442 -0.01282 0.01493 -0.01146 -0.01793 159 2PY 0.00385 -0.00704 0.01626 -0.01106 -0.01935 160 2PZ -0.00377 0.00514 0.00034 -0.02820 -0.00080 161 3S 0.01259 -0.02161 0.06067 0.01707 -0.05248 162 3PX 0.00366 -0.00946 0.02398 -0.01348 -0.01503 163 3PY 0.00362 -0.00533 0.01038 -0.00697 -0.02649 164 3PZ -0.00208 0.00248 -0.01692 -0.01549 0.00592 165 4XX -0.00033 0.00052 -0.00037 0.00010 0.00077 166 4YY -0.00014 0.00028 0.00022 -0.00182 -0.00102 167 4ZZ 0.00005 -0.00012 -0.00027 0.00134 0.00033 168 4XY 0.00017 -0.00040 -0.00089 -0.00093 -0.00074 169 4XZ 0.00013 -0.00019 -0.00021 -0.00035 -0.00053 170 4YZ -0.00015 0.00068 -0.00110 0.00001 0.00100 171 21 H 1S -0.00079 0.00118 -0.00207 -0.00094 0.00163 172 2S -0.00042 0.00012 0.00219 -0.00117 -0.00420 173 22 C 1S -0.00299 0.00639 -0.00621 0.00113 0.01363 174 2S 0.00584 -0.01538 0.01695 -0.00283 -0.03579 175 2PX 0.00752 -0.01789 -0.01243 -0.00582 -0.02295 176 2PY 0.00170 -0.00632 0.00180 0.00422 -0.01330 177 2PZ -0.01003 0.02631 -0.03756 0.00454 0.04213 178 3S 0.00366 -0.00943 -0.01456 0.01250 -0.02802 179 3PX 0.00604 -0.01339 -0.02041 -0.00494 -0.01833 180 3PY 0.00504 -0.00941 0.01280 0.00704 -0.04092 181 3PZ -0.00325 0.00644 0.00201 -0.00813 0.00935 182 4XX -0.00079 0.00131 -0.00053 0.00083 0.00261 183 4YY 0.00087 -0.00172 0.00288 -0.00123 -0.00344 184 4ZZ -0.00123 0.00201 -0.00474 0.00134 0.00524 185 4XY -0.00013 0.00015 -0.00086 0.00148 0.00079 186 4XZ 0.00102 -0.00219 0.00417 -0.00173 -0.00530 187 4YZ -0.00084 0.00182 -0.00268 0.00210 0.00271 188 23 H 1S -0.00720 0.01575 -0.02224 0.01092 0.02763 189 2S -0.00972 0.02202 -0.04266 0.01600 0.05777 36 37 38 39 40 36 3S 0.31481 37 3PX -0.01213 0.08490 38 3PY -0.00403 0.00473 0.08670 39 3PZ 0.01575 -0.00516 -0.00030 0.08712 40 4XX 0.00173 0.00651 0.00370 0.00384 0.00162 41 4YY -0.00506 -0.00046 -0.00595 0.00019 -0.00042 42 4ZZ -0.00258 -0.00451 0.00385 -0.00571 -0.00065 43 4XY 0.00127 0.00646 0.00076 0.00026 0.00057 44 4XZ 0.00027 0.00334 0.00077 -0.00573 -0.00007 45 4YZ -0.00184 0.00053 -0.00062 0.00668 0.00026 46 4 H 1S 0.07498 -0.02959 0.03940 -0.11130 -0.00699 47 2S -0.00974 -0.02765 0.03189 -0.10270 -0.00836 48 5 H 1S 0.08953 0.11171 0.04344 0.01780 0.01363 49 2S 0.01414 0.09596 0.03445 0.01957 0.01343 50 6 C 1S 0.00727 0.00132 0.01321 -0.00089 0.00224 51 2S 0.01048 -0.00557 -0.04057 0.00372 -0.00517 52 2PX -0.00937 -0.00967 -0.01467 0.00455 -0.00027 53 2PY 0.12359 0.00121 -0.14654 -0.00432 -0.00745 54 2PZ 0.00161 -0.00192 0.00837 -0.00585 -0.00072 55 3S -0.02267 -0.00221 -0.02652 0.00189 -0.00766 56 3PX -0.00437 -0.00911 -0.00710 0.00394 -0.00048 57 3PY 0.02782 0.00820 -0.06664 -0.00669 -0.00376 58 3PZ 0.00372 0.00160 0.00739 -0.00624 -0.00082 59 4XX -0.00703 -0.00050 0.00355 -0.00061 0.00003 60 4YY 0.01326 0.00064 -0.00458 -0.00041 -0.00005 61 4ZZ -0.00373 0.00027 0.00366 0.00057 0.00029 62 4XY 0.00045 0.00539 0.00021 -0.00011 0.00043 63 4XZ -0.00003 -0.00075 -0.00129 0.00032 -0.00004 64 4YZ 0.00030 0.00000 -0.00007 0.00538 0.00025 65 7 H 1S -0.02009 0.00137 0.01701 0.01606 0.00137 66 2S -0.01036 0.00644 0.02423 0.02233 0.00352 67 8 H 1S -0.03366 -0.01783 0.01140 -0.00080 -0.00176 68 2S -0.03923 -0.02213 0.01574 -0.00790 -0.00134 69 9 H 1S 0.04828 0.00098 -0.03685 0.00268 -0.00019 70 2S 0.05212 -0.00324 -0.04937 0.00772 -0.00006 71 10 H 1S -0.07052 0.02276 -0.00873 -0.01954 -0.00114 72 2S -0.07137 0.03193 -0.01683 -0.02787 -0.00241 73 11 C 1S 0.00529 -0.00039 -0.00064 0.00179 -0.00018 74 2S -0.00613 0.00028 -0.00053 -0.00211 0.00028 75 2PX -0.06573 0.00522 -0.00115 -0.00701 0.00240 76 2PY 0.01251 0.00013 0.00562 -0.00453 -0.00109 77 2PZ -0.04697 -0.00135 -0.00563 -0.00785 0.00068 78 3S -0.02297 0.00178 0.00617 -0.00977 0.00069 79 3PX -0.04940 0.00385 -0.00348 -0.00734 0.00102 80 3PY 0.01854 0.00113 0.00540 0.00113 0.00016 81 3PZ -0.03251 0.00014 0.00043 -0.00326 0.00088 82 4XX -0.00129 -0.00070 -0.00030 -0.00007 -0.00006 83 4YY -0.00046 0.00061 -0.00013 0.00001 0.00007 84 4ZZ 0.00250 -0.00016 0.00008 0.00057 -0.00006 85 4XY -0.00100 -0.00006 -0.00114 0.00032 0.00035 86 4XZ -0.00179 0.00022 0.00101 -0.00037 -0.00008 87 4YZ -0.00122 0.00046 -0.00026 -0.00014 0.00034 88 12 H 1S 0.00740 0.00275 0.00004 0.00371 0.00119 89 2S 0.02025 0.00358 0.00074 0.00809 0.00195 90 13 C 1S 0.01342 -0.00748 0.00325 -0.00385 -0.00137 91 2S -0.02766 0.01346 -0.00545 0.00591 0.00221 92 2PX -0.02871 -0.00026 -0.02181 0.01139 0.00746 93 2PY -0.02522 0.00712 -0.01007 0.01201 0.00213 94 2PZ -0.01478 0.00568 -0.00404 -0.01026 0.00483 95 3S -0.03295 0.01763 -0.01735 0.01425 0.00469 96 3PX -0.01752 -0.00114 -0.01232 0.00607 0.00467 97 3PY -0.01155 0.00770 -0.00548 0.00711 0.00284 98 3PZ -0.01763 0.00698 -0.00666 -0.00516 0.00373 99 4XX 0.00041 -0.00130 -0.00015 -0.00158 0.00009 100 4YY 0.00009 -0.00020 -0.00017 0.00003 -0.00004 101 4ZZ 0.00094 0.00067 0.00029 0.00135 -0.00012 102 4XY 0.00235 -0.00011 -0.00030 0.00078 0.00002 103 4XZ 0.00244 -0.00093 -0.00058 0.00004 0.00027 104 4YZ 0.00409 -0.00025 0.00087 -0.00060 -0.00012 105 14 H 1S -0.02326 0.00543 -0.00580 0.01179 -0.00004 106 2S -0.01714 -0.00024 0.00113 0.00256 -0.00257 107 15 O 1S -0.00491 0.00124 0.00169 -0.00022 -0.00013 108 2S 0.01222 -0.00381 -0.00445 0.00066 0.00034 109 2PX 0.03498 -0.00148 -0.00447 0.00349 -0.00104 110 2PY 0.01069 -0.00673 -0.00841 0.00491 0.00004 111 2PZ 0.03071 0.00190 0.00474 -0.00109 -0.00113 112 3S 0.01375 -0.00110 -0.00738 0.00076 0.00071 113 3PX 0.02801 -0.00084 -0.00293 0.00339 -0.00107 114 3PY 0.00609 -0.00440 -0.00681 0.00334 0.00014 115 3PZ 0.03034 0.00034 0.00358 -0.00032 -0.00095 116 4XX -0.00156 -0.00003 0.00024 -0.00022 0.00000 117 4YY 0.00016 -0.00024 -0.00049 0.00011 0.00003 118 4ZZ 0.00072 -0.00004 0.00042 0.00002 0.00003 119 4XY 0.00151 -0.00005 0.00002 -0.00004 -0.00007 120 4XZ -0.00051 0.00005 0.00029 0.00011 -0.00001 121 4YZ 0.00003 0.00026 0.00008 -0.00012 0.00005 122 16 O 1S -0.00192 0.00019 -0.00388 -0.00022 0.00052 123 2S -0.00224 0.00263 0.00869 -0.00003 -0.00102 124 2PX 0.01384 0.00769 0.01328 0.01148 -0.00390 125 2PY 0.03645 -0.01437 0.00107 0.00250 -0.00036 126 2PZ 0.03274 -0.00303 0.00481 0.03112 -0.00242 127 3S 0.01286 -0.01094 0.01420 -0.00204 -0.00323 128 3PX 0.01601 0.00218 0.00928 0.00887 -0.00325 129 3PY 0.02596 -0.00875 0.00031 0.00140 -0.00002 130 3PZ 0.02369 0.00055 0.00555 0.02259 -0.00226 131 4XX -0.00078 0.00081 -0.00057 0.00073 0.00032 132 4YY -0.00284 0.00105 -0.00032 0.00008 0.00004 133 4ZZ -0.00036 0.00002 0.00010 -0.00029 -0.00004 134 4XY -0.00093 -0.00025 -0.00076 -0.00026 0.00017 135 4XZ 0.00088 -0.00020 -0.00016 -0.00008 0.00010 136 4YZ -0.00077 0.00018 0.00010 -0.00135 0.00000 137 17 C 1S 0.00419 -0.00138 0.00098 -0.00002 -0.00031 138 2S -0.01206 0.00243 -0.00381 0.00050 0.00075 139 2PX -0.01786 0.00151 -0.00602 -0.00028 0.00099 140 2PY -0.00809 0.00577 -0.00322 0.00021 0.00139 141 2PZ 0.00060 -0.00116 0.00075 -0.00520 -0.00042 142 3S -0.01338 0.00257 -0.00579 0.00070 0.00106 143 3PX 0.00419 -0.00057 0.00032 0.00326 0.00011 144 3PY 0.00529 0.00125 -0.00407 0.00168 0.00129 145 3PZ 0.00601 0.00052 0.00139 0.00116 -0.00062 146 4XX 0.00215 0.00030 0.00041 0.00079 -0.00020 147 4YY -0.00107 -0.00020 -0.00023 -0.00015 0.00015 148 4ZZ -0.00020 -0.00001 0.00012 -0.00078 -0.00003 149 4XY -0.00195 0.00069 0.00049 0.00007 -0.00004 150 4XZ 0.00195 0.00003 0.00040 0.00111 -0.00006 151 4YZ 0.00026 -0.00035 0.00011 0.00110 -0.00010 152 18 H 1S -0.00562 -0.00017 -0.00060 -0.00562 0.00009 153 2S -0.00427 -0.00217 0.00138 -0.00764 0.00036 154 19 H 1S 0.01397 0.00063 0.00311 0.00546 -0.00083 155 2S 0.03206 -0.00065 0.00753 0.01005 -0.00196 156 20 C 1S 0.01292 -0.00413 -0.00326 0.00333 -0.00001 157 2S -0.02555 0.00683 0.00803 -0.00614 0.00013 158 2PX -0.01292 0.00667 -0.02210 -0.00059 0.00116 159 2PY -0.02893 0.02156 -0.00718 -0.01406 -0.00094 160 2PZ 0.02176 0.00378 -0.02864 0.00200 0.00019 161 3S -0.06156 0.03524 0.01426 -0.02725 -0.00068 162 3PX -0.01124 0.01100 -0.01997 -0.00272 0.00167 163 3PY -0.02414 0.01066 0.00152 -0.01557 -0.00206 164 3PZ 0.01089 -0.00905 -0.01575 0.00526 0.00079 165 4XX 0.00171 -0.00038 -0.00007 0.00049 0.00006 166 4YY 0.00189 0.00054 -0.00222 -0.00048 0.00001 167 4ZZ -0.00172 -0.00060 0.00173 -0.00007 -0.00004 168 4XY -0.00303 -0.00026 -0.00062 -0.00020 -0.00043 169 4XZ -0.00131 -0.00017 -0.00044 -0.00028 -0.00008 170 4YZ 0.00106 -0.00116 0.00018 0.00109 -0.00012 171 21 H 1S 0.00481 -0.00125 -0.00027 -0.00023 -0.00006 172 2S 0.00229 0.00191 0.00073 -0.00430 -0.00064 173 22 C 1S 0.00793 -0.00494 0.00322 0.00853 0.00039 174 2S -0.01593 0.01226 -0.00730 -0.01957 -0.00109 175 2PX -0.06971 0.00044 -0.01539 -0.00545 -0.00863 176 2PY 0.01001 -0.01171 0.00460 -0.00305 -0.00077 177 2PZ 0.03348 -0.03499 0.01598 0.03536 -0.00243 178 3S 0.01245 -0.00799 -0.00734 -0.00610 -0.00065 179 3PX -0.04841 -0.00929 -0.01014 -0.00320 -0.00578 180 3PY -0.02198 0.00273 0.00774 -0.01907 -0.00177 181 3PZ -0.00675 -0.00274 -0.00071 0.00675 -0.00173 182 4XX 0.00159 -0.00063 0.00082 0.00154 -0.00002 183 4YY -0.00476 0.00179 0.00015 -0.00186 -0.00014 184 4ZZ 0.00431 -0.00278 0.00004 0.00225 0.00035 185 4XY -0.00136 0.00002 0.00125 -0.00005 -0.00024 186 4XZ -0.00296 0.00232 -0.00118 -0.00280 0.00028 187 4YZ 0.00335 -0.00239 0.00218 0.00189 0.00001 188 23 H 1S 0.04149 -0.02396 0.01340 0.01966 0.00074 189 2S 0.05218 -0.03413 0.01595 0.03492 0.00128 41 42 43 44 45 41 4YY 0.00122 42 4ZZ -0.00024 0.00152 43 4XY -0.00017 -0.00040 0.00092 44 4XZ -0.00001 0.00017 0.00024 0.00068 45 4YZ 0.00019 -0.00047 0.00000 -0.00047 0.00092 46 4 H 1S -0.00493 0.01235 -0.00282 0.00722 -0.01046 47 2S -0.00311 0.01327 -0.00320 0.00648 -0.00954 48 5 H 1S -0.00580 -0.00775 0.00998 0.00370 0.00122 49 2S -0.00460 -0.00779 0.00898 0.00238 0.00181 50 6 C 1S -0.00690 0.00181 0.00017 0.00000 -0.00039 51 2S 0.01194 -0.00451 -0.00016 -0.00016 0.00053 52 2PX 0.00048 0.00113 -0.01124 0.00002 -0.00056 53 2PY 0.00834 -0.00775 0.00004 0.00086 0.00036 54 2PZ 0.00021 -0.00031 -0.00067 0.00084 -0.01076 55 3S 0.01339 -0.00318 0.00015 0.00039 0.00090 56 3PX 0.00056 0.00050 -0.00574 -0.00031 -0.00006 57 3PY 0.00466 -0.00359 0.00031 0.00117 0.00040 58 3PZ -0.00017 0.00066 0.00002 0.00076 -0.00494 59 4XX -0.00012 0.00032 -0.00038 0.00008 -0.00034 60 4YY -0.00007 -0.00026 0.00008 0.00008 -0.00008 61 4ZZ -0.00020 0.00014 0.00023 -0.00010 0.00041 62 4XY -0.00008 -0.00034 0.00073 0.00020 0.00010 63 4XZ 0.00009 0.00002 -0.00045 -0.00002 0.00010 64 4YZ 0.00006 -0.00038 0.00011 -0.00038 0.00079 65 7 H 1S 0.00185 -0.00067 0.00153 -0.00146 0.00746 66 2S -0.00151 -0.00061 0.00216 -0.00172 0.00712 67 8 H 1S 0.00268 0.00185 -0.00761 -0.00001 -0.00284 68 2S -0.00041 0.00352 -0.00730 0.00036 -0.00311 69 9 H 1S -0.00012 -0.00074 -0.00164 -0.00035 0.00120 70 2S 0.00026 -0.00190 -0.00254 -0.00118 0.00175 71 10 H 1S 0.00648 -0.00213 -0.00349 0.00062 0.00345 72 2S 0.00713 -0.00246 -0.00137 0.00280 0.00173 73 11 C 1S 0.00000 -0.00016 -0.00001 -0.00025 0.00002 74 2S -0.00008 0.00033 -0.00013 0.00041 -0.00005 75 2PX -0.00128 -0.00049 0.00013 0.00145 -0.00033 76 2PY 0.00073 0.00033 0.00037 0.00017 0.00065 77 2PZ -0.00047 -0.00002 0.00045 0.00104 -0.00022 78 3S -0.00001 -0.00021 -0.00073 0.00138 -0.00082 79 3PX -0.00068 0.00016 0.00051 0.00119 -0.00030 80 3PY 0.00045 -0.00075 0.00060 -0.00015 0.00054 81 3PZ -0.00063 -0.00016 -0.00018 0.00084 -0.00005 82 4XX 0.00004 -0.00002 0.00008 -0.00001 -0.00002 83 4YY -0.00001 -0.00003 -0.00001 0.00002 0.00004 84 4ZZ 0.00000 0.00003 -0.00004 -0.00007 0.00002 85 4XY -0.00012 -0.00024 0.00004 -0.00001 -0.00004 86 4XZ 0.00004 0.00006 0.00000 0.00002 0.00001 87 4YZ -0.00013 -0.00018 -0.00001 -0.00001 -0.00007 88 12 H 1S -0.00051 -0.00042 -0.00031 -0.00027 -0.00014 89 2S -0.00063 -0.00125 0.00003 -0.00072 0.00042 90 13 C 1S -0.00001 0.00055 -0.00042 -0.00023 -0.00011 91 2S -0.00020 -0.00120 0.00077 0.00070 0.00045 92 2PX -0.00272 -0.00469 0.00069 0.00011 -0.00023 93 2PY -0.00065 -0.00145 0.00047 0.00002 -0.00010 94 2PZ -0.00165 -0.00248 -0.00003 -0.00029 -0.00090 95 3S -0.00119 -0.00295 0.00149 -0.00018 0.00107 96 3PX -0.00200 -0.00278 0.00004 0.00025 -0.00026 97 3PY -0.00030 -0.00262 0.00071 0.00008 0.00038 98 3PZ -0.00126 -0.00187 0.00051 0.00003 -0.00061 99 4XX -0.00006 -0.00010 -0.00012 -0.00010 -0.00011 100 4YY 0.00005 -0.00001 0.00001 0.00004 0.00004 101 4ZZ 0.00008 0.00011 0.00005 0.00000 0.00002 102 4XY 0.00005 -0.00006 -0.00002 -0.00005 0.00003 103 4XZ -0.00008 -0.00027 -0.00001 -0.00012 -0.00001 104 4YZ 0.00006 0.00006 -0.00007 -0.00009 -0.00001 105 14 H 1S 0.00009 0.00022 0.00055 0.00077 0.00034 106 2S 0.00053 0.00248 -0.00004 0.00102 -0.00034 107 15 O 1S 0.00003 0.00012 -0.00017 0.00008 -0.00003 108 2S -0.00012 -0.00036 0.00033 -0.00017 -0.00001 109 2PX 0.00043 0.00046 0.00027 -0.00059 0.00012 110 2PY -0.00018 -0.00049 0.00004 -0.00024 -0.00009 111 2PZ 0.00020 0.00069 -0.00011 -0.00032 0.00038 112 3S -0.00020 -0.00061 0.00129 -0.00031 0.00040 113 3PX 0.00047 0.00048 0.00026 -0.00053 0.00023 114 3PY -0.00026 -0.00031 0.00013 -0.00016 -0.00005 115 3PZ 0.00022 0.00049 -0.00027 -0.00040 0.00020 116 4XX -0.00003 0.00005 -0.00004 0.00005 -0.00003 117 4YY -0.00002 -0.00003 -0.00002 0.00000 -0.00003 118 4ZZ 0.00000 -0.00004 -0.00003 -0.00002 -0.00004 119 4XY 0.00003 0.00004 0.00002 -0.00002 0.00001 120 4XZ 0.00001 0.00001 -0.00001 0.00001 0.00001 121 4YZ -0.00003 -0.00002 0.00000 0.00000 0.00000 122 16 O 1S -0.00006 -0.00049 0.00015 -0.00004 -0.00007 123 2S 0.00025 0.00113 -0.00023 0.00015 0.00019 124 2PX 0.00154 0.00367 -0.00016 0.00019 0.00042 125 2PY -0.00050 -0.00058 -0.00002 -0.00046 0.00024 126 2PZ 0.00104 0.00230 0.00016 -0.00004 0.00118 127 3S 0.00015 0.00282 -0.00119 0.00046 -0.00007 128 3PX 0.00118 0.00278 -0.00027 0.00018 0.00025 129 3PY -0.00029 -0.00062 0.00006 -0.00041 0.00015 130 3PZ 0.00112 0.00191 0.00025 -0.00005 0.00102 131 4XX -0.00007 -0.00020 0.00007 -0.00002 0.00002 132 4YY 0.00004 0.00002 0.00002 0.00001 0.00002 133 4ZZ 0.00002 -0.00002 0.00001 -0.00003 0.00001 134 4XY -0.00006 -0.00016 0.00001 -0.00001 -0.00001 135 4XZ -0.00002 -0.00010 0.00001 -0.00003 -0.00002 136 4YZ 0.00001 -0.00003 -0.00002 0.00000 -0.00004 137 17 C 1S 0.00000 0.00012 0.00000 -0.00009 -0.00001 138 2S -0.00021 -0.00039 0.00001 0.00015 -0.00006 139 2PX -0.00017 -0.00067 0.00002 0.00013 -0.00016 140 2PY -0.00011 -0.00091 0.00035 -0.00004 0.00004 141 2PZ 0.00009 0.00017 -0.00005 -0.00005 -0.00012 142 3S -0.00022 -0.00077 -0.00003 0.00022 -0.00011 143 3PX 0.00021 -0.00031 -0.00003 -0.00018 -0.00001 144 3PY -0.00030 -0.00114 0.00038 -0.00017 0.00002 145 3PZ 0.00017 0.00049 0.00003 -0.00007 0.00010 146 4XX 0.00009 0.00017 0.00000 -0.00001 0.00003 147 4YY -0.00006 -0.00012 0.00001 0.00002 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 -0.00001 -0.00003 149 4XY 0.00004 0.00009 -0.00002 0.00004 0.00000 150 4XZ 0.00001 0.00007 0.00001 -0.00001 0.00005 151 4YZ 0.00003 0.00009 0.00000 0.00001 0.00003 152 18 H 1S -0.00004 -0.00017 -0.00005 0.00001 -0.00020 153 2S -0.00007 -0.00054 -0.00007 -0.00010 -0.00034 154 19 H 1S 0.00028 0.00070 0.00001 -0.00009 0.00025 155 2S 0.00075 0.00139 0.00000 -0.00037 0.00045 156 20 C 1S -0.00013 -0.00008 0.00014 -0.00033 -0.00013 157 2S 0.00027 -0.00010 -0.00057 0.00059 0.00062 158 2PX -0.00175 -0.00008 0.00079 0.00055 0.00025 159 2PY 0.00193 -0.00124 -0.00036 0.00129 -0.00086 160 2PZ 0.00040 -0.00074 0.00096 0.00047 -0.00084 161 3S 0.00086 0.00178 0.00158 0.00288 0.00016 162 3PX -0.00142 -0.00055 0.00144 0.00061 0.00017 163 3PY 0.00182 0.00061 0.00011 0.00148 -0.00127 164 3PZ 0.00020 -0.00161 -0.00083 -0.00014 -0.00019 165 4XX 0.00000 -0.00007 0.00001 -0.00002 -0.00005 166 4YY -0.00009 0.00004 -0.00008 -0.00004 0.00001 167 4ZZ 0.00003 0.00007 0.00017 0.00003 -0.00010 168 4XY 0.00005 0.00040 -0.00004 0.00004 0.00006 169 4XZ 0.00001 0.00005 -0.00015 0.00003 0.00012 170 4YZ 0.00010 -0.00009 -0.00021 0.00009 0.00019 171 21 H 1S -0.00006 0.00073 0.00093 -0.00014 -0.00065 172 2S -0.00029 0.00173 0.00202 -0.00012 -0.00159 173 22 C 1S 0.00067 -0.00193 -0.00036 0.00016 0.00047 174 2S -0.00159 0.00383 0.00094 -0.00028 -0.00142 175 2PX -0.00045 0.00965 -0.00063 0.00047 0.00122 176 2PY -0.00180 0.00410 0.00165 -0.00077 -0.00077 177 2PZ 0.00365 -0.00446 -0.00274 0.00329 0.00285 178 3S -0.00265 0.00337 -0.00163 -0.00022 -0.00083 179 3PX 0.00015 0.00566 -0.00146 0.00085 0.00076 180 3PY -0.00016 0.00316 0.00098 0.00138 -0.00168 181 3PZ 0.00134 -0.00036 0.00015 0.00131 0.00105 182 4XX 0.00005 -0.00011 -0.00001 0.00003 0.00009 183 4YY 0.00035 -0.00011 -0.00009 0.00025 0.00006 184 4ZZ -0.00027 -0.00016 -0.00006 -0.00035 0.00005 185 4XY 0.00006 0.00027 -0.00006 -0.00006 0.00005 186 4XZ 0.00006 -0.00023 0.00010 0.00019 -0.00018 187 4YZ -0.00004 -0.00019 -0.00004 0.00007 0.00001 188 23 H 1S 0.00005 -0.00216 -0.00057 0.00030 0.00071 189 2S -0.00013 -0.00319 -0.00130 -0.00089 0.00174 46 47 48 49 50 46 4 H 1S 0.21761 47 2S 0.18283 0.17990 48 5 H 1S -0.02469 -0.05509 0.21483 49 2S -0.05247 -0.06400 0.17101 0.15748 50 6 C 1S 0.00732 0.00823 0.00872 0.01110 2.05094 51 2S -0.01876 -0.01869 -0.02149 -0.02363 -0.05354 52 2PX 0.00932 0.02458 -0.02228 -0.03262 -0.00192 53 2PY -0.02859 -0.05129 -0.02810 -0.05470 0.00178 54 2PZ 0.02118 0.03577 -0.00717 -0.01585 0.00152 55 3S -0.02061 -0.01074 -0.03332 -0.03898 -0.18839 56 3PX 0.00252 0.00929 -0.01705 -0.02151 0.00058 57 3PY -0.01673 -0.02035 -0.01285 -0.02134 -0.00053 58 3PZ 0.01714 0.02333 -0.00104 -0.00846 0.00032 59 4XX 0.00190 0.00431 -0.00133 -0.00079 -0.01659 60 4YY 0.00197 -0.00138 0.00273 -0.00044 -0.01550 61 4ZZ -0.00118 -0.00132 0.00125 0.00289 -0.01780 62 4XY -0.00260 -0.00305 0.00749 0.00684 0.00114 63 4XZ 0.00003 0.00046 -0.00142 -0.00154 -0.00078 64 4YZ -0.00768 -0.00780 0.00180 0.00219 -0.00088 65 7 H 1S -0.02777 -0.03361 0.01255 0.02395 -0.05365 66 2S -0.03213 -0.03964 0.02766 0.03764 -0.00754 67 8 H 1S 0.02020 0.03843 -0.03074 -0.03220 -0.05156 68 2S 0.03347 0.05122 -0.03344 -0.03078 -0.00484 69 9 H 1S -0.00664 -0.01248 -0.00601 -0.01346 0.01187 70 2S -0.01782 -0.02548 -0.01368 -0.01891 0.01486 71 10 H 1S -0.01344 -0.00972 -0.00863 -0.00735 -0.00741 72 2S -0.00853 -0.00064 -0.00370 -0.00467 -0.00939 73 11 C 1S -0.00076 -0.00259 -0.00025 -0.00087 -0.00243 74 2S 0.00056 0.00402 0.00008 0.00130 0.00475 75 2PX -0.00075 0.01395 0.00812 0.02791 0.00699 76 2PY -0.00057 -0.00613 -0.00124 -0.00676 -0.00308 77 2PZ 0.00194 0.01288 0.00419 0.02210 0.00106 78 3S 0.00654 0.00960 0.00317 0.00836 0.00693 79 3PX 0.00067 0.01396 0.00558 0.02106 0.00629 80 3PY -0.00422 -0.01205 0.00514 0.00122 -0.00377 81 3PZ 0.00214 0.00858 0.00387 0.01432 0.00006 82 4XX 0.00027 0.00051 -0.00022 0.00069 -0.00105 83 4YY -0.00039 -0.00046 0.00029 0.00021 0.00006 84 4ZZ -0.00002 -0.00037 -0.00031 -0.00133 -0.00014 85 4XY -0.00099 -0.00095 0.00127 0.00299 0.00019 86 4XZ 0.00016 0.00034 -0.00028 -0.00050 0.00004 87 4YZ -0.00059 -0.00083 0.00108 0.00216 0.00077 88 12 H 1S -0.00244 -0.00392 0.00277 0.00060 0.00405 89 2S -0.00802 -0.01520 0.00762 0.00450 0.00035 90 13 C 1S 0.00576 0.00179 -0.00560 -0.00743 -0.00108 91 2S -0.01110 -0.00403 0.01121 0.01591 0.00186 92 2PX -0.02164 -0.01315 0.02639 0.06018 0.00856 93 2PY -0.00959 0.00021 0.00978 0.01851 0.00033 94 2PZ -0.00545 -0.01622 0.01384 0.03188 0.00636 95 3S -0.03354 -0.02314 0.02477 0.03931 0.00556 96 3PX -0.00934 -0.00672 0.01387 0.03492 0.00631 97 3PY -0.01694 -0.01652 0.01684 0.02603 0.00080 98 3PZ -0.00717 -0.00820 0.01576 0.03088 0.00580 99 4XX 0.00071 -0.00124 -0.00097 0.00001 -0.00010 100 4YY -0.00031 0.00004 0.00013 0.00026 0.00007 101 4ZZ 0.00004 0.00103 -0.00011 -0.00137 -0.00041 102 4XY -0.00024 -0.00049 -0.00010 -0.00075 -0.00015 103 4XZ -0.00123 -0.00243 0.00078 0.00170 0.00014 104 4YZ 0.00065 -0.00097 -0.00082 -0.00208 -0.00018 105 14 H 1S -0.00281 0.01361 0.00325 0.00400 -0.00062 106 2S 0.01595 0.03247 -0.00937 -0.01557 -0.00215 107 15 O 1S 0.00097 0.00168 -0.00085 -0.00166 0.00039 108 2S -0.00192 -0.00364 0.00218 0.00454 -0.00138 109 2PX 0.00034 -0.00540 -0.00336 -0.01432 -0.00273 110 2PY -0.00172 0.00015 0.00096 0.00467 0.00158 111 2PZ 0.00066 -0.00735 -0.00434 -0.02017 0.00018 112 3S -0.00784 -0.00974 0.00657 0.01135 0.00010 113 3PX -0.00036 -0.00442 -0.00373 -0.01349 -0.00172 114 3PY -0.00161 0.00025 0.00121 0.00496 0.00173 115 3PZ 0.00124 -0.00677 -0.00427 -0.01796 -0.00060 116 4XX 0.00043 0.00091 -0.00014 0.00008 0.00008 117 4YY 0.00011 0.00018 0.00007 0.00031 -0.00015 118 4ZZ 0.00013 -0.00035 0.00003 -0.00015 -0.00037 119 4XY 0.00008 -0.00023 -0.00016 -0.00070 -0.00006 120 4XZ 0.00007 0.00023 -0.00007 -0.00017 -0.00015 121 4YZ -0.00008 -0.00026 0.00016 0.00000 0.00005 122 16 O 1S -0.00284 -0.00229 0.00283 0.00501 0.00014 123 2S 0.00509 0.00400 -0.00535 -0.01019 -0.00020 124 2PX 0.01359 0.02274 -0.01666 -0.04220 -0.00387 125 2PY -0.00221 -0.00906 0.00090 0.00343 0.00091 126 2PZ 0.00311 0.02364 -0.00951 -0.02837 -0.00352 127 3S 0.02199 0.02020 -0.02057 -0.02912 -0.00062 128 3PX 0.01267 0.01907 -0.01480 -0.03449 -0.00361 129 3PY -0.00299 -0.00872 0.00198 0.00339 0.00038 130 3PZ 0.00099 0.01580 -0.00687 -0.02385 -0.00361 131 4XX -0.00151 -0.00133 0.00153 0.00235 0.00026 132 4YY -0.00048 0.00029 0.00020 0.00026 0.00008 133 4ZZ -0.00048 -0.00076 0.00013 0.00013 -0.00005 134 4XY -0.00072 -0.00084 0.00075 0.00194 0.00014 135 4XZ -0.00037 -0.00073 0.00046 0.00075 0.00001 136 4YZ 0.00021 -0.00073 -0.00007 0.00009 0.00000 137 17 C 1S 0.00068 -0.00016 -0.00083 -0.00200 -0.00053 138 2S -0.00214 0.00117 0.00276 0.00687 0.00138 139 2PX -0.00286 0.00051 0.00329 0.00993 0.00138 140 2PY -0.00543 -0.00639 0.00616 0.00902 -0.00091 141 2PZ 0.00140 -0.00280 -0.00144 -0.00087 -0.00047 142 3S -0.00326 0.00040 0.00366 0.00894 0.00211 143 3PX -0.00185 -0.00231 -0.00011 -0.00223 -0.00087 144 3PY -0.00579 -0.00866 0.00678 0.01002 -0.00014 145 3PZ 0.00083 0.00076 -0.00167 -0.00561 -0.00077 146 4XX 0.00055 0.00084 -0.00080 -0.00245 -0.00029 147 4YY -0.00048 -0.00044 0.00064 0.00162 0.00021 148 4ZZ 0.00012 -0.00048 -0.00005 0.00009 -0.00012 149 4XY 0.00042 0.00095 -0.00036 -0.00071 -0.00014 150 4XZ 0.00001 0.00048 -0.00021 -0.00119 -0.00006 151 4YZ 0.00022 0.00125 -0.00037 -0.00058 -0.00009 152 18 H 1S 0.00045 -0.00282 0.00039 0.00365 0.00011 153 2S 0.00028 -0.00652 0.00098 0.00574 -0.00053 154 19 H 1S 0.00171 0.00340 -0.00319 -0.01119 -0.00109 155 2S 0.00340 0.00382 -0.00765 -0.02494 -0.00333 156 20 C 1S -0.00065 -0.00144 -0.00117 -0.00152 -0.00311 157 2S 0.00056 0.00069 0.00174 0.00266 0.00583 158 2PX -0.00311 0.00329 0.00788 0.02349 0.00855 159 2PY 0.00242 0.00574 -0.00006 -0.00571 -0.00182 160 2PZ -0.00249 0.00334 0.00031 0.00519 -0.01009 161 3S 0.01751 0.02830 0.02199 0.01870 0.00517 162 3PX -0.00500 -0.00013 0.01403 0.02720 0.00679 163 3PY 0.01340 0.01876 -0.00472 -0.00975 -0.00540 164 3PZ -0.00609 -0.00766 -0.00737 0.00124 -0.00386 165 4XX -0.00018 -0.00044 0.00025 0.00026 -0.00079 166 4YY 0.00018 0.00006 -0.00024 -0.00052 0.00081 167 4ZZ 0.00052 0.00088 0.00015 0.00057 -0.00123 168 4XY 0.00125 0.00331 -0.00198 -0.00220 0.00006 169 4XZ 0.00019 0.00045 -0.00079 -0.00086 0.00091 170 4YZ -0.00050 -0.00089 -0.00084 -0.00118 0.00091 171 21 H 1S 0.00285 0.00626 0.00016 0.00141 -0.00730 172 2S 0.00854 0.01521 0.00144 0.00140 -0.00969 173 22 C 1S -0.00761 -0.01156 0.00103 0.00134 -0.00270 174 2S 0.01870 0.02799 -0.00100 -0.00198 0.00515 175 2PX 0.02899 0.07570 -0.03709 -0.03869 0.00460 176 2PY 0.01499 0.02205 -0.00147 0.00289 -0.00354 177 2PZ -0.01549 -0.02522 -0.01494 -0.01756 -0.00389 178 3S 0.02194 0.02648 -0.01389 -0.01389 0.01365 179 3PX 0.02062 0.04971 -0.03279 -0.02944 0.00397 180 3PY 0.02687 0.03541 -0.00179 -0.00107 -0.00333 181 3PZ -0.00436 0.00031 -0.00156 -0.00185 -0.00263 182 4XX -0.00083 -0.00103 0.00036 -0.00008 -0.00037 183 4YY 0.00032 0.00070 -0.00003 -0.00012 -0.00017 184 4ZZ -0.00170 -0.00320 -0.00022 0.00079 0.00006 185 4XY 0.00077 0.00155 -0.00098 -0.00202 -0.00021 186 4XZ 0.00062 0.00030 0.00155 0.00253 0.00009 187 4YZ -0.00039 -0.00168 -0.00025 -0.00055 0.00013 188 23 H 1S -0.00883 -0.02232 -0.00046 0.00012 -0.00074 189 2S -0.02182 -0.03840 -0.00506 -0.00350 -0.00019 51 52 53 54 55 51 2S 0.30662 52 2PX 0.00121 0.39989 53 2PY -0.00022 -0.00248 0.38144 54 2PZ -0.00141 0.00834 0.00412 0.39974 55 3S 0.28393 -0.02902 0.00514 0.02418 0.31876 56 3PX 0.00307 0.18915 -0.00104 0.00279 -0.01413 57 3PY -0.00283 -0.00709 0.17574 0.00261 0.00506 58 3PZ -0.00578 -0.00294 0.00131 0.17509 0.01294 59 4XX -0.00293 0.01280 -0.00775 0.01202 -0.00049 60 4YY -0.00527 -0.00142 0.01517 0.00041 -0.00516 61 4ZZ -0.00025 -0.00726 -0.01064 -0.01500 -0.00031 62 4XY -0.00214 -0.01350 0.00086 -0.00083 -0.00168 63 4XZ 0.00198 0.01489 -0.00019 -0.00452 0.00050 64 4YZ 0.00168 -0.00098 0.00038 -0.01490 0.00157 65 7 H 1S 0.10418 -0.03734 -0.09067 -0.24769 0.08259 66 2S 0.02380 -0.04459 -0.07996 -0.22354 0.00221 67 8 H 1S 0.09979 0.24135 -0.07829 0.08813 0.08475 68 2S 0.01817 0.21961 -0.06092 0.07573 0.00561 69 9 H 1S -0.02340 0.02620 0.03191 -0.02192 -0.07033 70 2S -0.02633 0.05399 0.05954 -0.04173 -0.07133 71 10 H 1S 0.01465 -0.00326 0.03616 0.00300 0.04897 72 2S 0.01879 -0.01537 0.05920 0.01314 0.05434 73 11 C 1S 0.00389 -0.00833 -0.00110 -0.00321 0.01201 74 2S -0.00777 0.01853 0.00256 0.00519 -0.02712 75 2PX -0.01990 0.02968 0.00122 0.00376 -0.02594 76 2PY 0.00663 -0.01237 -0.00432 -0.00714 0.02218 77 2PZ -0.00173 0.00934 -0.00446 -0.00741 -0.01503 78 3S -0.01838 0.03568 0.00691 0.02445 -0.03292 79 3PX -0.00793 0.01289 -0.00288 0.00194 -0.01680 80 3PY 0.00676 -0.02289 -0.00357 -0.01037 0.01080 81 3PZ -0.00914 0.01927 -0.00305 -0.00705 -0.01626 82 4XX 0.00168 -0.00380 -0.00007 -0.00052 0.00065 83 4YY -0.00059 0.00093 0.00027 -0.00038 0.00010 84 4ZZ -0.00011 0.00063 0.00046 0.00019 0.00101 85 4XY -0.00034 0.00069 -0.00018 -0.00051 -0.00271 86 4XZ -0.00008 -0.00008 0.00007 0.00078 0.00241 87 4YZ -0.00131 0.00184 -0.00011 0.00037 -0.00409 88 12 H 1S -0.00908 0.01243 0.00247 0.00378 -0.02083 89 2S -0.00434 -0.00157 -0.00319 -0.01455 -0.01509 90 13 C 1S 0.00213 -0.00257 0.00126 0.00248 0.00492 91 2S -0.00412 0.00438 -0.00172 -0.00347 -0.00694 92 2PX -0.01717 0.02161 -0.00548 -0.01058 -0.06784 93 2PY -0.00100 -0.00110 0.00088 -0.00004 -0.00908 94 2PZ -0.01368 0.01549 -0.00412 -0.01007 -0.04967 95 3S -0.00719 0.01586 -0.00607 -0.01634 -0.02438 96 3PX -0.01653 0.01946 -0.00097 -0.01166 -0.05053 97 3PY -0.00288 -0.00387 0.00165 -0.00448 -0.01822 98 3PZ -0.00706 0.01099 -0.00864 -0.00480 -0.03436 99 4XX 0.00019 -0.00068 0.00023 -0.00011 -0.00137 100 4YY 0.00007 0.00048 0.00024 0.00026 -0.00055 101 4ZZ 0.00073 -0.00086 0.00012 0.00074 0.00272 102 4XY 0.00067 -0.00124 -0.00028 -0.00006 0.00089 103 4XZ -0.00011 -0.00010 -0.00025 -0.00005 -0.00201 104 4YZ 0.00035 -0.00094 0.00028 0.00014 0.00106 105 14 H 1S 0.00175 0.00001 -0.00134 0.00319 0.00930 106 2S 0.00542 0.00032 -0.00296 0.01154 0.02349 107 15 O 1S -0.00155 0.00375 0.00101 0.00101 -0.00119 108 2S 0.00308 -0.00715 -0.00217 -0.00123 -0.00374 109 2PX 0.00954 -0.01611 -0.00052 -0.00056 0.01308 110 2PY 0.00186 0.00014 0.00208 -0.00217 -0.03466 111 2PZ -0.00196 -0.00477 0.00210 0.00688 0.03279 112 3S 0.00995 -0.02803 -0.00644 -0.01064 0.00925 113 3PX 0.00897 -0.01554 0.00064 -0.00154 0.01557 114 3PY 0.00099 -0.00130 0.00060 -0.00231 -0.02510 115 3PZ -0.00104 -0.00197 0.00225 0.00699 0.02360 116 4XX -0.00086 0.00191 0.00012 0.00072 -0.00067 117 4YY -0.00037 0.00046 0.00020 0.00028 -0.00266 118 4ZZ -0.00008 -0.00003 -0.00016 0.00062 -0.00029 119 4XY 0.00061 -0.00086 -0.00028 -0.00002 0.00082 120 4XZ -0.00006 0.00037 0.00002 0.00008 0.00099 121 4YZ -0.00045 0.00041 0.00006 0.00032 0.00078 122 16 O 1S 0.00043 -0.00036 -0.00035 -0.00060 -0.00492 123 2S -0.00073 0.00078 0.00001 0.00113 0.01234 124 2PX 0.00695 -0.00901 0.00428 0.00515 0.03714 125 2PY 0.00066 0.00022 -0.00234 -0.00209 -0.01295 126 2PZ 0.00734 -0.00874 0.00161 0.00486 0.03107 127 3S -0.00489 0.00640 0.00512 0.00335 0.01366 128 3PX 0.00567 -0.00855 0.00536 0.00504 0.02974 129 3PY 0.00152 -0.00059 -0.00187 -0.00117 -0.00763 130 3PZ 0.00805 -0.00944 0.00099 0.00418 0.03089 131 4XX -0.00036 0.00029 -0.00051 -0.00049 -0.00166 132 4YY 0.00009 0.00002 -0.00010 -0.00012 0.00026 133 4ZZ 0.00041 -0.00038 -0.00039 0.00006 0.00076 134 4XY -0.00023 0.00030 -0.00001 -0.00013 -0.00154 135 4XZ 0.00002 0.00004 -0.00015 0.00008 -0.00056 136 4YZ -0.00006 -0.00011 0.00006 -0.00007 -0.00008 137 17 C 1S 0.00081 -0.00149 -0.00078 0.00013 0.00400 138 2S -0.00304 0.00497 0.00157 -0.00062 -0.01136 139 2PX -0.00243 0.00376 0.00205 0.00025 -0.01620 140 2PY 0.00129 -0.00615 -0.00218 -0.00243 0.00684 141 2PZ 0.00142 -0.00244 -0.00038 -0.00174 -0.00024 142 3S -0.00358 0.00765 0.00451 -0.00093 -0.01254 143 3PX 0.00239 -0.00264 0.00085 0.00472 0.00508 144 3PY 0.00067 -0.00638 -0.00152 -0.00313 -0.00605 145 3PZ 0.00123 -0.00177 -0.00004 0.00075 0.00565 146 4XX 0.00065 -0.00098 0.00011 0.00024 0.00225 147 4YY -0.00057 0.00085 -0.00006 -0.00005 -0.00108 148 4ZZ 0.00021 -0.00013 -0.00006 -0.00025 -0.00030 149 4XY -0.00007 0.00022 0.00006 0.00023 0.00193 150 4XZ -0.00001 -0.00009 -0.00004 0.00041 0.00201 151 4YZ 0.00026 0.00006 0.00007 -0.00005 -0.00022 152 18 H 1S 0.00017 0.00025 -0.00017 -0.00221 -0.00626 153 2S 0.00179 -0.00207 -0.00260 -0.00103 -0.00510 154 19 H 1S 0.00202 -0.00340 0.00018 0.00190 0.01399 155 2S 0.00680 -0.01139 -0.00034 0.00618 0.03227 156 20 C 1S 0.00655 -0.00693 -0.00177 0.01243 0.00802 157 2S -0.01566 0.01850 0.00382 -0.03174 -0.01455 158 2PX -0.01943 -0.01757 0.00834 -0.02422 -0.07467 159 2PY 0.00592 -0.00097 0.00353 0.01138 -0.00751 160 2PZ 0.02704 -0.04292 -0.00556 0.03676 0.03034 161 3S -0.01125 -0.01106 -0.00815 -0.03136 0.01410 162 3PX -0.01402 -0.02422 0.00805 -0.02201 -0.05145 163 3PY 0.01000 -0.01632 0.00476 0.03600 0.02363 164 3PZ 0.00713 -0.00191 0.00579 0.01284 -0.00842 165 4XX 0.00128 -0.00056 -0.00094 0.00253 0.00138 166 4YY -0.00161 0.00303 0.00120 -0.00291 -0.00451 167 4ZZ 0.00201 -0.00519 -0.00150 0.00454 0.00420 168 4XY -0.00004 0.00078 0.00133 -0.00052 0.00165 169 4XZ -0.00205 0.00464 0.00173 -0.00454 -0.00252 170 4YZ -0.00195 0.00319 0.00226 -0.00263 -0.00355 171 21 H 1S 0.01618 -0.02488 -0.01194 0.02437 0.04055 172 2S 0.02243 -0.04844 -0.01735 0.04868 0.05075 173 22 C 1S 0.00484 -0.00604 0.00395 0.00510 0.01265 174 2S -0.00906 0.00950 -0.00925 -0.00953 -0.02399 175 2PX -0.01347 0.01433 0.01037 -0.01740 -0.01140 176 2PY 0.00683 -0.01787 -0.01237 0.01749 0.02587 177 2PZ 0.00546 -0.00088 0.02799 -0.00075 0.02103 178 3S -0.02381 0.06845 -0.01750 -0.04107 -0.06235 179 3PX -0.01020 0.02479 0.01159 -0.01252 -0.01102 180 3PY 0.00502 -0.01220 -0.00858 0.02363 0.02336 181 3PZ 0.00354 -0.01894 0.01665 0.00248 0.01226 182 4XX 0.00057 -0.00033 -0.00006 0.00075 0.00172 183 4YY 0.00031 0.00033 0.00186 -0.00074 0.00211 184 4ZZ -0.00011 -0.00047 -0.00128 0.00017 -0.00207 185 4XY 0.00044 0.00113 -0.00106 0.00079 0.00335 186 4XZ -0.00011 -0.00017 0.00038 -0.00044 -0.00124 187 4YZ -0.00067 0.00124 0.00012 -0.00088 -0.00094 188 23 H 1S 0.00123 -0.00270 0.00116 0.00125 0.00314 189 2S -0.00014 0.00105 0.00122 -0.00446 -0.00035 56 57 58 59 60 56 3PX 0.09306 57 3PY -0.00330 0.08810 58 3PZ -0.00363 0.00108 0.08087 59 4XX 0.00625 -0.00307 0.00474 0.00154 60 4YY -0.00073 0.00600 0.00030 -0.00033 0.00123 61 4ZZ -0.00344 -0.00456 -0.00609 -0.00062 -0.00034 62 4XY -0.00649 0.00099 -0.00021 -0.00046 0.00023 63 4XZ 0.00676 -0.00064 -0.00216 0.00030 -0.00004 64 4YZ -0.00037 -0.00003 -0.00672 -0.00042 -0.00013 65 7 H 1S -0.01644 -0.04283 -0.10892 -0.00819 -0.00529 66 2S -0.02138 -0.03682 -0.09532 -0.00868 -0.00364 67 8 H 1S 0.11526 -0.03960 0.03245 0.01217 -0.00572 68 2S 0.10370 -0.02863 0.02680 0.01248 -0.00427 69 9 H 1S 0.02250 0.00925 -0.02044 -0.00101 0.00660 70 2S 0.03222 0.01796 -0.02746 -0.00219 0.00715 71 10 H 1S 0.00020 0.03680 0.00259 -0.00013 -0.00011 72 2S -0.00449 0.04914 0.00694 0.00007 0.00026 73 11 C 1S -0.00657 -0.00284 -0.00260 -0.00132 0.00007 74 2S 0.01186 0.00474 0.00199 0.00212 -0.00024 75 2PX 0.00248 0.01783 -0.00026 0.00733 -0.00293 76 2PY -0.00599 -0.00885 -0.00761 -0.00212 0.00076 77 2PZ 0.00946 0.00268 -0.01335 0.00480 -0.00171 78 3S 0.01743 0.01506 0.00711 0.00448 -0.00132 79 3PX 0.00079 0.00935 -0.00044 0.00477 -0.00216 80 3PY -0.00898 -0.00467 -0.00406 -0.00283 0.00037 81 3PZ 0.00881 0.00544 -0.00885 0.00353 -0.00134 82 4XX -0.00109 0.00005 -0.00170 0.00007 -0.00006 83 4YY -0.00020 0.00016 -0.00020 -0.00006 0.00005 84 4ZZ 0.00038 -0.00015 0.00165 -0.00012 0.00008 85 4XY 0.00024 -0.00030 -0.00114 -0.00002 -0.00005 86 4XZ -0.00041 0.00040 -0.00013 0.00026 -0.00009 87 4YZ 0.00019 0.00074 -0.00019 0.00012 -0.00007 88 12 H 1S 0.00241 0.00533 0.00893 -0.00006 0.00006 89 2S -0.00400 -0.00089 0.00166 -0.00258 0.00049 90 13 C 1S -0.00007 0.00055 0.00277 -0.00013 0.00002 91 2S -0.00050 0.00054 -0.00440 0.00021 -0.00007 92 2PX 0.00633 -0.00052 -0.01833 0.00235 -0.00136 93 2PY -0.00089 0.00487 0.00207 0.00100 -0.00077 94 2PZ -0.00017 0.00499 -0.01468 0.00080 -0.00049 95 3S 0.00322 -0.00616 -0.01417 0.00058 -0.00002 96 3PX 0.00367 0.00337 -0.01467 0.00097 -0.00066 97 3PY -0.00196 0.00485 -0.00459 -0.00025 -0.00048 98 3PZ 0.00166 -0.00114 -0.00839 0.00104 -0.00069 99 4XX -0.00056 0.00019 -0.00034 -0.00005 0.00003 100 4YY 0.00059 0.00012 -0.00007 0.00008 -0.00002 101 4ZZ -0.00029 -0.00003 0.00096 -0.00007 0.00001 102 4XY -0.00014 -0.00096 0.00011 -0.00035 0.00013 103 4XZ 0.00036 -0.00102 -0.00056 -0.00009 0.00005 104 4YZ -0.00061 -0.00015 0.00049 -0.00033 0.00013 105 14 H 1S 0.00216 -0.00028 0.00386 0.00113 -0.00056 106 2S 0.00375 -0.00069 0.01048 0.00199 -0.00067 107 15 O 1S 0.00077 0.00349 -0.00103 0.00050 -0.00010 108 2S 0.00095 -0.00772 0.00155 -0.00099 0.00033 109 2PX 0.00053 -0.01026 0.01902 -0.00380 0.00167 110 2PY 0.01193 0.00108 -0.00374 0.00036 0.00044 111 2PZ -0.00987 -0.00351 0.03515 -0.00240 0.00112 112 3S -0.01308 -0.01289 0.00111 -0.00296 0.00030 113 3PX -0.00282 -0.00716 0.01473 -0.00312 0.00128 114 3PY 0.00661 0.00044 -0.00238 0.00005 0.00025 115 3PZ -0.00485 -0.00413 0.02640 -0.00228 0.00119 116 4XX 0.00087 0.00050 0.00046 0.00031 -0.00008 117 4YY 0.00079 0.00032 -0.00012 0.00002 0.00004 118 4ZZ 0.00009 -0.00010 -0.00030 -0.00005 0.00002 119 4XY 0.00002 -0.00063 0.00065 -0.00016 0.00007 120 4XZ -0.00001 0.00010 -0.00009 0.00010 -0.00003 121 4YZ -0.00037 0.00011 0.00130 0.00000 -0.00001 122 16 O 1S 0.00123 -0.00171 -0.00067 -0.00013 0.00002 123 2S -0.00360 0.00431 0.00144 0.00035 -0.00012 124 2PX -0.00473 0.00598 0.01048 -0.00104 0.00051 125 2PY 0.00730 -0.00796 -0.00396 -0.00001 0.00020 126 2PZ -0.00054 -0.00334 0.00474 -0.00122 0.00030 127 3S -0.00176 0.00777 0.00245 0.00068 -0.00012 128 3PX -0.00370 0.00421 0.00903 -0.00108 0.00055 129 3PY 0.00511 -0.00653 -0.00253 -0.00011 0.00027 130 3PZ -0.00126 -0.00262 0.00496 -0.00102 0.00028 131 4XX -0.00002 -0.00026 -0.00048 0.00000 -0.00003 132 4YY -0.00025 0.00043 0.00000 0.00003 -0.00003 133 4ZZ 0.00012 -0.00046 0.00011 0.00003 -0.00001 134 4XY 0.00016 -0.00006 -0.00031 0.00007 -0.00004 135 4XZ 0.00012 -0.00031 0.00003 -0.00001 0.00000 136 4YZ -0.00023 0.00009 0.00007 -0.00004 0.00003 137 17 C 1S -0.00114 -0.00086 0.00065 -0.00030 -0.00001 138 2S 0.00210 0.00335 -0.00163 0.00071 -0.00024 139 2PX 0.00184 0.00501 -0.00346 0.00094 -0.00024 140 2PY -0.00599 -0.00270 0.00007 -0.00134 0.00015 141 2PZ -0.00014 -0.00059 -0.00443 -0.00043 0.00011 142 3S 0.00297 0.00513 -0.00203 0.00105 -0.00027 143 3PX -0.00025 -0.00056 0.00332 0.00011 0.00019 144 3PY -0.00223 -0.00354 -0.00160 -0.00127 0.00034 145 3PZ -0.00040 -0.00092 0.00262 -0.00065 0.00020 146 4XX -0.00017 -0.00023 0.00139 -0.00020 0.00009 147 4YY 0.00003 0.00009 -0.00053 0.00015 -0.00007 148 4ZZ 0.00020 -0.00010 -0.00075 -0.00002 0.00001 149 4XY -0.00053 0.00047 -0.00009 0.00004 -0.00004 150 4XZ -0.00026 -0.00031 0.00137 -0.00007 0.00001 151 4YZ 0.00051 0.00011 -0.00102 0.00010 -0.00004 152 18 H 1S 0.00123 0.00049 -0.00607 0.00011 -0.00005 153 2S 0.00078 -0.00182 -0.00839 0.00040 -0.00009 154 19 H 1S -0.00152 -0.00228 0.00807 -0.00082 0.00032 155 2S -0.00410 -0.00596 0.01587 -0.00195 0.00084 156 20 C 1S -0.00502 -0.00375 0.00692 0.00041 0.00066 157 2S 0.01226 0.00830 -0.01480 -0.00111 -0.00163 158 2PX -0.01527 0.01938 -0.00624 -0.00867 -0.00015 159 2PY 0.01118 0.00418 -0.00008 0.00081 0.00165 160 2PZ -0.04332 -0.01748 0.02233 -0.00237 0.00384 161 3S -0.00918 0.00960 -0.00481 -0.00076 -0.00250 162 3PX -0.01990 0.01280 -0.00718 -0.00586 0.00040 163 3PY -0.00385 0.00677 0.01651 0.00177 0.00010 164 3PZ -0.00744 -0.00039 0.00340 -0.00159 0.00134 165 4XX -0.00069 -0.00087 0.00131 -0.00001 0.00005 166 4YY 0.00169 -0.00019 -0.00172 -0.00012 0.00035 167 4ZZ -0.00257 -0.00019 0.00181 0.00033 -0.00027 168 4XY -0.00019 0.00114 0.00009 0.00023 -0.00006 169 4XZ 0.00280 0.00109 -0.00246 0.00028 0.00005 170 4YZ 0.00255 0.00230 -0.00163 -0.00002 0.00005 171 21 H 1S -0.02453 -0.01480 0.01491 0.00073 0.00008 172 2S -0.03615 -0.01745 0.02766 0.00117 -0.00004 173 22 C 1S -0.00394 0.00321 0.00271 -0.00005 -0.00013 174 2S 0.00641 -0.00769 -0.00477 0.00019 0.00028 175 2PX -0.00220 0.02283 0.00051 0.00093 -0.00166 176 2PY -0.02086 -0.00786 0.01431 0.00099 -0.00186 177 2PZ -0.00076 0.02784 -0.00180 -0.00011 0.00030 178 3S 0.03633 -0.01373 -0.02130 -0.00031 0.00085 179 3PX 0.00625 0.01958 -0.00253 0.00157 -0.00142 180 3PY -0.01068 0.00069 0.01468 0.00204 -0.00178 181 3PZ -0.01188 0.01581 0.00118 0.00055 0.00018 182 4XX -0.00032 0.00007 0.00045 0.00006 0.00000 183 4YY 0.00048 0.00223 -0.00027 0.00002 -0.00009 184 4ZZ -0.00044 -0.00175 -0.00037 -0.00006 0.00003 185 4XY 0.00083 -0.00077 0.00039 0.00043 -0.00006 186 4XZ -0.00011 0.00042 -0.00046 -0.00005 0.00001 187 4YZ 0.00149 0.00026 -0.00083 0.00011 -0.00011 188 23 H 1S -0.00090 0.00003 -0.00128 -0.00019 -0.00008 189 2S 0.00209 -0.00092 -0.00445 -0.00089 -0.00033 61 62 63 64 65 61 4ZZ 0.00154 62 4XY 0.00019 0.00087 63 4XZ -0.00018 -0.00053 0.00072 64 4YZ 0.00053 -0.00002 0.00015 0.00099 65 7 H 1S 0.01350 0.00061 0.00207 0.01036 0.21587 66 2S 0.01361 0.00149 0.00082 0.00932 0.17603 67 8 H 1S -0.00592 -0.00978 0.00866 -0.00322 -0.02438 68 2S -0.00665 -0.00881 0.00760 -0.00324 -0.04982 69 9 H 1S -0.00239 0.00356 0.00079 -0.00309 -0.01285 70 2S -0.00271 0.00148 0.00290 -0.00124 -0.00790 71 10 H 1S -0.00082 0.00160 -0.00026 -0.00124 -0.00750 72 2S -0.00208 0.00252 -0.00096 -0.00178 -0.01877 73 11 C 1S 0.00044 0.00036 -0.00058 0.00004 0.00480 74 2S -0.00091 -0.00069 0.00138 -0.00025 -0.00879 75 2PX -0.00437 -0.00068 0.00144 0.00050 -0.01882 76 2PY 0.00122 0.00035 -0.00066 -0.00033 0.00796 77 2PZ -0.00250 -0.00010 0.00014 0.00079 -0.00507 78 3S -0.00236 -0.00129 0.00134 -0.00087 -0.02739 79 3PX -0.00270 -0.00012 0.00097 0.00029 -0.01018 80 3PY 0.00247 0.00066 -0.00099 0.00023 0.01493 81 3PZ -0.00165 -0.00054 0.00055 0.00064 -0.00420 82 4XX -0.00012 0.00012 -0.00016 0.00010 0.00059 83 4YY 0.00000 -0.00001 0.00004 -0.00002 -0.00004 84 4ZZ 0.00012 -0.00004 0.00001 -0.00001 0.00019 85 4XY 0.00006 -0.00003 0.00004 0.00003 0.00031 86 4XZ -0.00026 0.00001 -0.00007 0.00003 -0.00103 87 4YZ -0.00004 -0.00007 0.00013 0.00000 -0.00056 88 12 H 1S 0.00040 -0.00046 0.00105 -0.00017 -0.00242 89 2S 0.00256 0.00003 0.00047 0.00046 0.01576 90 13 C 1S -0.00016 0.00002 -0.00020 -0.00009 -0.00102 91 2S 0.00038 0.00011 0.00034 0.00016 0.00135 92 2PX -0.00036 -0.00017 0.00164 0.00053 0.00023 93 2PY -0.00027 0.00042 -0.00013 0.00079 0.00064 94 2PZ -0.00005 -0.00061 0.00103 0.00020 0.00158 95 3S -0.00019 0.00065 0.00124 0.00101 0.00712 96 3PX 0.00019 -0.00057 0.00124 0.00038 0.00136 97 3PY 0.00085 0.00060 -0.00010 0.00062 0.00456 98 3PZ -0.00020 0.00004 0.00091 0.00004 0.00102 99 4XX -0.00002 -0.00007 -0.00002 0.00001 0.00017 100 4YY -0.00003 0.00001 0.00004 -0.00002 -0.00035 101 4ZZ 0.00004 0.00004 -0.00007 -0.00001 0.00000 102 4XY 0.00023 0.00004 -0.00005 -0.00005 0.00085 103 4XZ 0.00006 0.00001 0.00001 0.00000 0.00025 104 4YZ 0.00017 -0.00001 -0.00003 -0.00008 0.00048 105 14 H 1S -0.00037 0.00034 -0.00009 0.00021 -0.00199 106 2S -0.00129 -0.00002 -0.00022 -0.00041 -0.00827 107 15 O 1S -0.00047 -0.00015 0.00010 0.00011 -0.00232 108 2S 0.00112 0.00026 -0.00011 -0.00026 0.00445 109 2PX 0.00356 0.00023 -0.00055 -0.00058 0.01180 110 2PY 0.00056 0.00005 0.00045 0.00030 0.00157 111 2PZ 0.00238 0.00000 -0.00025 -0.00117 0.00309 112 3S 0.00251 0.00109 -0.00057 -0.00015 0.01669 113 3PX 0.00264 0.00029 -0.00046 -0.00037 0.01029 114 3PY 0.00058 0.00010 0.00033 0.00017 0.00206 115 3PZ 0.00199 -0.00011 -0.00020 -0.00101 0.00166 116 4XX -0.00018 -0.00006 0.00005 -0.00001 -0.00118 117 4YY 0.00003 -0.00001 0.00002 -0.00002 -0.00032 118 4ZZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00029 119 4XY 0.00015 0.00001 -0.00003 -0.00003 0.00057 120 4XZ -0.00009 -0.00001 -0.00001 0.00002 -0.00028 121 4YZ 0.00004 -0.00001 0.00001 -0.00003 -0.00012 122 16 O 1S 0.00011 0.00017 0.00005 0.00003 0.00088 123 2S -0.00033 -0.00035 -0.00009 0.00002 -0.00174 124 2PX 0.00046 -0.00023 -0.00067 -0.00016 -0.00002 125 2PY 0.00048 0.00006 0.00018 -0.00010 0.00163 126 2PZ 0.00076 0.00021 -0.00046 -0.00030 0.00109 127 3S -0.00055 -0.00125 -0.00001 -0.00044 -0.00679 128 3PX 0.00047 -0.00021 -0.00062 -0.00027 -0.00059 129 3PY 0.00029 0.00013 0.00010 -0.00005 0.00142 130 3PZ 0.00054 0.00035 -0.00053 -0.00015 0.00149 131 4XX 0.00005 0.00004 0.00003 0.00003 0.00042 132 4YY -0.00003 0.00002 0.00001 0.00003 0.00009 133 4ZZ -0.00004 0.00003 -0.00002 0.00004 0.00012 134 4XY -0.00004 0.00002 0.00003 0.00001 -0.00006 135 4XZ 0.00001 0.00001 0.00001 -0.00001 0.00005 136 4YZ 0.00001 -0.00001 -0.00001 -0.00001 0.00004 137 17 C 1S 0.00009 -0.00001 -0.00014 -0.00002 0.00062 138 2S -0.00033 0.00001 0.00029 0.00013 -0.00167 139 2PX -0.00062 0.00001 0.00032 0.00025 -0.00251 140 2PY 0.00082 0.00030 -0.00031 -0.00001 0.00474 141 2PZ 0.00014 0.00004 -0.00016 0.00007 0.00134 142 3S -0.00074 0.00000 0.00044 0.00018 -0.00305 143 3PX -0.00031 0.00004 -0.00011 0.00005 -0.00187 144 3PY 0.00105 0.00036 -0.00019 -0.00001 0.00501 145 3PZ 0.00053 0.00000 -0.00014 -0.00010 0.00121 146 4XX 0.00017 0.00000 -0.00005 -0.00004 0.00048 147 4YY -0.00011 -0.00001 0.00004 0.00001 -0.00038 148 4ZZ -0.00001 0.00000 -0.00002 0.00002 0.00012 149 4XY -0.00009 -0.00002 -0.00002 0.00001 -0.00034 150 4XZ 0.00008 0.00000 -0.00001 -0.00004 0.00005 151 4YZ -0.00009 0.00000 0.00000 0.00004 -0.00021 152 18 H 1S -0.00020 0.00002 -0.00001 0.00017 0.00031 153 2S -0.00061 0.00001 -0.00012 0.00027 -0.00019 154 19 H 1S 0.00070 0.00002 -0.00020 -0.00027 0.00155 155 2S 0.00138 0.00008 -0.00064 -0.00048 0.00307 156 20 C 1S -0.00192 0.00036 0.00041 -0.00039 -0.00765 157 2S 0.00380 -0.00094 -0.00087 0.00121 0.01851 158 2PX 0.00962 0.00089 -0.00135 -0.00138 0.02732 159 2PY -0.00404 0.00150 0.00122 -0.00064 -0.01503 160 2PZ -0.00465 0.00270 0.00343 -0.00264 -0.01909 161 3S 0.00326 0.00120 -0.00096 0.00046 0.01990 162 3PX 0.00558 0.00154 -0.00056 -0.00076 0.01907 163 3PY -0.00308 0.00105 -0.00060 -0.00165 -0.02473 164 3PZ -0.00043 0.00004 0.00125 -0.00105 -0.00621 165 4XX -0.00010 0.00000 0.00007 -0.00009 -0.00089 166 4YY -0.00013 0.00008 0.00024 -0.00006 0.00018 167 4ZZ -0.00015 0.00008 -0.00032 -0.00005 -0.00157 168 4XY -0.00025 -0.00005 0.00010 0.00005 -0.00074 169 4XZ -0.00023 -0.00011 0.00021 0.00019 0.00061 170 4YZ 0.00020 -0.00003 -0.00006 0.00002 0.00062 171 21 H 1S -0.00217 0.00054 0.00055 -0.00068 -0.00951 172 2S -0.00313 0.00135 -0.00037 -0.00160 -0.02087 173 22 C 1S -0.00005 -0.00010 -0.00036 0.00019 -0.00044 174 2S -0.00020 0.00048 0.00065 -0.00077 -0.00008 175 2PX 0.00019 -0.00052 0.00085 -0.00020 -0.00137 176 2PY 0.00125 -0.00031 -0.00123 -0.00103 -0.00240 177 2PZ -0.00037 -0.00064 0.00049 0.00115 -0.00090 178 3S 0.00159 -0.00184 0.00299 -0.00035 0.01502 179 3PX -0.00032 -0.00123 0.00109 -0.00010 -0.00341 180 3PY -0.00054 0.00007 -0.00097 -0.00150 -0.01250 181 3PZ -0.00146 0.00099 -0.00016 0.00033 -0.00544 182 4XX -0.00006 -0.00001 -0.00001 0.00006 -0.00017 183 4YY 0.00002 0.00007 -0.00004 -0.00004 0.00001 184 4ZZ 0.00009 -0.00015 0.00000 0.00013 0.00069 185 4XY -0.00040 -0.00005 0.00005 0.00007 -0.00111 186 4XZ 0.00002 0.00013 0.00001 -0.00015 -0.00004 187 4YZ 0.00012 -0.00019 -0.00010 0.00019 0.00071 188 23 H 1S 0.00089 -0.00077 -0.00027 0.00079 0.00384 189 2S 0.00202 -0.00171 -0.00044 0.00189 0.01084 66 67 68 69 70 66 2S 0.16633 67 8 H 1S -0.05593 0.21549 68 2S -0.06233 0.17348 0.16302 69 9 H 1S -0.01257 -0.00874 -0.00401 0.21688 70 2S -0.00583 -0.00375 0.00062 0.17472 0.16303 71 10 H 1S -0.01448 -0.00502 -0.01118 0.00169 -0.00090 72 2S -0.02721 -0.01220 -0.01636 -0.00088 -0.00312 73 11 C 1S 0.00140 -0.00578 -0.00816 0.00350 0.00294 74 2S -0.00329 0.01168 0.01816 -0.00615 -0.00404 75 2PX -0.01596 0.02696 0.06331 -0.01574 -0.02056 76 2PY 0.00019 -0.00986 -0.01934 0.01298 0.01721 77 2PZ -0.01721 0.01453 0.03483 -0.00525 -0.01164 78 3S -0.01961 0.02504 0.04051 -0.02285 -0.02409 79 3PX -0.01054 0.01607 0.03952 -0.01579 -0.01916 80 3PY 0.01568 -0.01801 -0.02804 -0.00399 -0.00265 81 3PZ -0.00771 0.01484 0.03147 -0.00429 -0.00838 82 4XX -0.00124 -0.00118 -0.00039 0.00011 -0.00084 83 4YY 0.00011 0.00007 0.00023 0.00117 0.00173 84 4ZZ 0.00132 -0.00012 -0.00136 -0.00054 -0.00053 85 4XY 0.00034 0.00011 0.00086 -0.00129 -0.00006 86 4XZ -0.00208 0.00074 0.00144 0.00028 -0.00031 87 4YZ 0.00056 0.00091 0.00234 -0.00129 -0.00084 88 12 H 1S 0.01168 0.00338 0.00472 -0.00756 -0.00510 89 2S 0.03000 -0.01040 -0.01592 -0.00302 0.00112 90 13 C 1S -0.00196 -0.00005 -0.00103 -0.00161 -0.00306 91 2S 0.00318 -0.00036 0.00184 0.00248 0.00496 92 2PX 0.00738 0.00834 0.03097 -0.00415 0.00307 93 2PY 0.00458 0.00044 0.00561 -0.00862 -0.01558 94 2PZ 0.00726 0.00512 0.02589 -0.00437 0.00530 95 3S 0.00662 0.00295 0.00966 0.01879 0.02596 96 3PX 0.00868 0.00515 0.02349 -0.00213 0.00402 97 3PY 0.01018 -0.00607 -0.00193 -0.00866 -0.00945 98 3PZ 0.00390 0.00571 0.01788 -0.00349 0.00197 99 4XX 0.00025 -0.00020 0.00065 -0.00028 0.00021 100 4YY -0.00043 0.00035 0.00036 0.00011 0.00003 101 4ZZ -0.00004 -0.00035 -0.00156 -0.00014 -0.00074 102 4XY 0.00097 -0.00130 -0.00313 0.00108 0.00133 103 4XZ 0.00034 -0.00040 -0.00078 0.00043 0.00113 104 4YZ 0.00090 -0.00107 -0.00224 0.00053 0.00101 105 14 H 1S -0.00306 0.00266 0.00028 -0.00196 -0.00891 106 2S -0.01331 0.00885 0.00497 -0.00473 -0.01468 107 15 O 1S -0.00240 0.00282 0.00473 0.00126 -0.00298 108 2S 0.00472 -0.00554 -0.00982 -0.00261 0.00655 109 2PX 0.02408 -0.01668 -0.04098 -0.00533 -0.00114 110 2PY 0.00668 -0.00076 -0.00222 0.00239 -0.01320 111 2PZ 0.02522 -0.00983 -0.02810 -0.00192 0.00053 112 3S 0.01699 -0.01970 -0.02700 -0.00535 0.01082 113 3PX 0.01920 -0.01440 -0.03340 -0.00322 -0.00075 114 3PY 0.00645 -0.00176 -0.00199 0.00099 -0.00841 115 3PZ 0.01804 -0.00738 -0.02427 0.00059 0.00345 116 4XX -0.00108 0.00151 0.00242 -0.00047 -0.00075 117 4YY 0.00025 0.00010 0.00020 0.00065 -0.00041 118 4ZZ -0.00052 0.00002 -0.00016 0.00014 0.00016 119 4XY 0.00087 -0.00070 -0.00184 -0.00034 -0.00011 120 4XZ -0.00065 0.00044 0.00061 0.00032 -0.00006 121 4YZ 0.00079 0.00005 -0.00006 -0.00054 -0.00026 122 16 O 1S 0.00115 -0.00085 -0.00171 0.00035 0.00127 123 2S -0.00254 0.00225 0.00468 -0.00091 -0.00305 124 2PX -0.00109 -0.00356 -0.01466 -0.00074 -0.00883 125 2PY 0.00081 -0.00081 -0.00422 0.00343 0.00090 126 2PZ -0.00238 -0.00507 -0.02187 0.00570 -0.00046 127 3S -0.00728 0.00605 0.01171 -0.00293 -0.00596 128 3PX -0.00102 -0.00419 -0.01425 -0.00014 -0.00620 129 3PY 0.00037 -0.00099 -0.00485 0.00383 0.00223 130 3PZ -0.00237 -0.00475 -0.01964 0.00487 -0.00088 131 4XX 0.00073 -0.00013 0.00015 -0.00009 0.00028 132 4YY 0.00008 0.00011 0.00037 0.00002 -0.00003 133 4ZZ -0.00024 0.00003 -0.00029 0.00004 -0.00006 134 4XY 0.00004 0.00016 0.00071 -0.00015 0.00000 135 4XZ 0.00016 -0.00001 -0.00015 -0.00002 0.00015 136 4YZ 0.00014 -0.00015 0.00003 0.00003 0.00035 137 17 C 1S 0.00016 -0.00087 -0.00233 0.00009 0.00080 138 2S 0.00021 0.00266 0.00738 -0.00064 -0.00294 139 2PX -0.00122 0.00312 0.00959 0.00116 -0.00313 140 2PY 0.00547 -0.00629 -0.00926 -0.00162 0.00628 141 2PZ -0.00222 -0.00167 -0.00154 0.00104 0.00335 142 3S -0.00134 0.00402 0.00998 -0.00018 -0.00273 143 3PX -0.00195 0.00001 -0.00317 0.00046 -0.00205 144 3PY 0.00739 -0.00715 -0.01031 0.00110 0.00430 145 3PZ 0.00217 -0.00205 -0.00610 -0.00049 0.00055 146 4XX 0.00107 -0.00082 -0.00243 -0.00009 -0.00041 147 4YY -0.00051 0.00062 0.00157 0.00007 0.00035 148 4ZZ -0.00048 -0.00004 0.00005 0.00011 0.00029 149 4XY -0.00084 0.00036 0.00066 -0.00007 0.00020 150 4XZ 0.00069 -0.00022 -0.00118 -0.00028 -0.00024 151 4YZ -0.00110 0.00037 0.00055 0.00034 -0.00028 152 18 H 1S -0.00321 0.00044 0.00363 0.00047 0.00165 153 2S -0.00712 0.00127 0.00519 0.00052 0.00186 154 19 H 1S 0.00475 -0.00322 -0.01092 -0.00111 -0.00134 155 2S 0.00726 -0.00794 -0.02589 -0.00074 -0.00129 156 20 C 1S -0.01084 0.00191 0.00171 0.01202 0.01343 157 2S 0.02593 -0.00337 -0.00285 -0.02506 -0.02598 158 2PX 0.06897 -0.04093 -0.03526 0.00072 0.00856 159 2PY -0.02311 0.00346 0.00020 0.03510 0.07164 160 2PZ -0.03145 -0.01112 -0.01101 0.02682 0.04660 161 3S 0.02377 -0.01576 -0.01289 -0.05444 -0.05180 162 3PX 0.04391 -0.03599 -0.02726 0.00213 0.00892 163 3PY -0.03159 0.00322 0.00119 0.00047 0.00685 164 3PZ -0.00450 -0.00034 0.00115 0.01428 0.02141 165 4XX -0.00103 0.00064 0.00010 -0.00032 0.00005 166 4YY 0.00014 0.00005 0.00027 0.00802 0.00879 167 4ZZ -0.00253 -0.00029 0.00022 -0.00382 -0.00638 168 4XY -0.00149 0.00091 0.00218 -0.00114 -0.00130 169 4XZ 0.00001 0.00146 0.00268 0.00250 0.00294 170 4YZ 0.00180 0.00011 0.00061 0.00553 0.00329 171 21 H 1S -0.02179 0.00090 0.00013 -0.02325 -0.02746 172 2S -0.03391 -0.00396 -0.00526 -0.02698 -0.03229 173 22 C 1S -0.00080 -0.00142 -0.00253 -0.00832 -0.01158 174 2S -0.00065 0.00225 0.00460 0.01846 0.02526 175 2PX 0.00504 0.00560 0.02901 0.00142 -0.00397 176 2PY -0.00240 0.00057 0.00417 -0.03529 -0.06922 177 2PZ 0.00311 -0.00153 0.00593 -0.00194 -0.01208 178 3S 0.02175 0.02454 0.02650 0.05309 0.05864 179 3PX 0.00035 0.01321 0.03218 -0.00055 -0.00565 180 3PY -0.01555 0.00559 0.00965 -0.03261 -0.04640 181 3PZ -0.00733 -0.00902 0.00084 0.00128 -0.00370 182 4XX -0.00034 0.00029 0.00022 -0.00046 -0.00111 183 4YY -0.00026 -0.00021 -0.00035 -0.00125 -0.00108 184 4ZZ 0.00109 -0.00005 0.00015 -0.00067 -0.00083 185 4XY -0.00285 0.00211 0.00210 -0.00001 -0.00057 186 4XZ -0.00012 -0.00061 -0.00062 0.00045 0.00118 187 4YZ 0.00118 0.00061 0.00075 -0.00187 -0.00242 188 23 H 1S 0.00740 -0.00102 -0.00092 -0.00950 -0.02005 189 2S 0.01808 -0.00139 -0.00304 -0.01790 -0.02661 71 72 73 74 75 71 10 H 1S 0.21689 72 2S 0.17483 0.16325 73 11 C 1S -0.00154 -0.00279 2.05260 74 2S 0.00227 0.00437 -0.06328 0.33250 75 2PX -0.00442 0.00112 -0.01171 0.02010 0.35390 76 2PY 0.00885 0.01618 -0.00648 0.01519 -0.03652 77 2PZ -0.00428 0.00461 0.01397 -0.02144 0.01895 78 3S 0.01881 0.02467 -0.17192 0.27241 0.08632 79 3PX -0.00237 0.00278 -0.02109 0.04274 0.18166 80 3PY 0.00896 0.01011 -0.00672 0.00346 -0.05011 81 3PZ -0.00319 0.00154 0.00646 -0.02142 0.07208 82 4XX -0.00025 0.00020 -0.01240 -0.01157 -0.01051 83 4YY 0.00011 0.00004 -0.01707 -0.00137 0.00594 84 4ZZ -0.00017 -0.00074 -0.01517 -0.00541 0.00166 85 4XY -0.00109 -0.00144 0.00066 -0.00112 -0.00183 86 4XZ 0.00039 0.00105 0.00383 -0.00902 0.00960 87 4YZ -0.00055 -0.00110 -0.00391 0.00801 0.01330 88 12 H 1S -0.00204 -0.00905 -0.06711 0.13219 0.07516 89 2S -0.00473 -0.01440 -0.01696 0.03947 0.03934 90 13 C 1S 0.00352 0.00301 0.01933 -0.04076 -0.01084 91 2S -0.00608 -0.00439 -0.04072 0.07597 0.02212 92 2PX -0.01584 -0.02275 -0.01104 0.02289 0.16298 93 2PY -0.01297 -0.01767 0.08157 -0.16756 0.01352 94 2PZ -0.00567 -0.01303 -0.00870 0.01775 0.10722 95 3S -0.02379 -0.02593 0.00363 0.02516 0.04796 96 3PX -0.01593 -0.02030 -0.00187 0.00306 0.10850 97 3PY 0.00385 0.00175 0.00217 -0.01937 0.01590 98 3PZ -0.00458 -0.00943 -0.00488 0.01639 0.06603 99 4XX 0.00014 -0.00087 0.00306 -0.00698 0.00156 100 4YY 0.00115 0.00168 -0.00649 0.01191 -0.00049 101 4ZZ -0.00047 -0.00041 0.00375 -0.00870 -0.00363 102 4XY 0.00130 0.00014 0.00014 -0.00079 -0.01306 103 4XZ 0.00030 -0.00042 -0.00126 0.00297 -0.00150 104 4YZ 0.00134 0.00099 -0.00105 0.00199 -0.00409 105 14 H 1S -0.00753 -0.00509 0.01687 -0.03780 -0.01249 106 2S -0.00266 0.00207 0.02126 -0.04320 -0.02524 107 15 O 1S 0.00033 0.00124 0.00574 -0.00815 0.02661 108 2S -0.00085 -0.00304 -0.01017 0.01261 -0.06262 109 2PX -0.00057 -0.00763 -0.05526 0.11958 -0.16209 110 2PY -0.00355 -0.00116 -0.02695 0.05601 -0.08398 111 2PZ 0.00566 0.00029 0.03828 -0.07441 0.18718 112 3S -0.00296 -0.00571 0.00871 -0.01479 -0.03702 113 3PX -0.00007 -0.00520 -0.02438 0.05722 -0.09452 114 3PY -0.00396 -0.00241 -0.02179 0.04453 -0.05166 115 3PZ 0.00485 -0.00025 0.01922 -0.03620 0.09199 116 4XX -0.00010 0.00023 -0.00263 0.00395 0.00734 117 4YY 0.00003 -0.00003 -0.00122 0.00135 -0.00386 118 4ZZ 0.00005 -0.00008 -0.00129 0.00144 -0.00628 119 4XY 0.00015 0.00005 -0.00429 0.00856 -0.00833 120 4XZ -0.00001 0.00014 0.00523 -0.00867 0.00417 121 4YZ -0.00004 -0.00036 0.00347 -0.00614 0.01223 122 16 O 1S 0.00124 -0.00320 -0.00167 0.00506 -0.00611 123 2S -0.00261 0.00702 0.00707 -0.01596 0.01465 124 2PX -0.00522 0.00106 0.00950 -0.02386 -0.05391 125 2PY -0.00240 0.01279 -0.02371 0.05641 -0.02160 126 2PZ -0.00180 0.00261 0.00022 -0.00332 -0.05103 127 3S -0.00499 0.01208 -0.00457 -0.00265 0.04444 128 3PX -0.00301 0.00103 0.00711 -0.01778 -0.04776 129 3PY -0.00106 0.00800 -0.01441 0.03758 -0.02366 130 3PZ 0.00062 0.00502 0.00248 -0.00703 -0.05573 131 4XX -0.00049 -0.00082 0.00035 -0.00010 0.00295 132 4YY 0.00062 -0.00041 0.00147 -0.00243 0.00043 133 4ZZ 0.00014 0.00013 0.00099 -0.00103 -0.00403 134 4XY 0.00033 0.00001 0.00095 -0.00215 0.00301 135 4XZ 0.00032 -0.00010 0.00015 -0.00041 0.00124 136 4YZ 0.00056 0.00023 -0.00075 0.00151 -0.00074 137 17 C 1S 0.00010 0.00090 -0.00314 0.00637 -0.01154 138 2S -0.00068 -0.00326 0.00673 -0.01750 0.03153 139 2PX 0.00113 -0.00367 0.01268 -0.03065 0.02356 140 2PY 0.00165 -0.00636 -0.00306 0.00763 -0.03033 141 2PZ 0.00109 0.00324 -0.00742 0.01921 -0.02729 142 3S -0.00026 -0.00325 0.01015 -0.01291 0.04949 143 3PX 0.00042 -0.00215 0.01058 -0.01969 -0.00270 144 3PY -0.00105 -0.00446 -0.00289 0.00730 -0.03177 145 3PZ -0.00046 0.00080 -0.00564 0.00949 -0.01418 146 4XX -0.00008 -0.00026 -0.00081 0.00210 -0.00734 147 4YY 0.00008 0.00024 0.00217 -0.00473 0.00936 148 4ZZ 0.00010 0.00030 -0.00173 0.00372 -0.00755 149 4XY 0.00008 -0.00015 0.00067 -0.00163 0.00078 150 4XZ -0.00027 -0.00018 0.00081 -0.00199 0.00589 151 4YZ -0.00034 0.00032 -0.00029 0.00046 -0.00604 152 18 H 1S 0.00047 0.00144 -0.00640 0.01541 -0.02371 153 2S 0.00050 0.00143 -0.00610 0.01494 -0.04138 154 19 H 1S -0.00107 -0.00070 -0.00128 0.00248 -0.00530 155 2S -0.00065 -0.00004 0.00095 -0.00196 -0.03570 156 20 C 1S -0.00836 -0.01182 -0.00142 0.00096 0.00422 157 2S 0.01860 0.02580 0.00114 -0.00437 -0.01430 158 2PX 0.00165 -0.00293 -0.00414 0.01448 0.01783 159 2PY 0.03513 0.06911 0.00085 -0.00088 -0.00487 160 2PZ -0.00134 -0.01119 -0.00318 0.01396 0.02043 161 3S 0.05328 0.06013 0.00148 -0.00110 0.02160 162 3PX -0.00070 -0.00529 -0.00610 0.01493 0.02926 163 3PY 0.03289 0.04679 0.00353 -0.00388 0.00198 164 3PZ 0.00239 -0.00309 -0.00302 0.01010 0.00656 165 4XX -0.00046 -0.00114 -0.00073 0.00067 -0.00076 166 4YY -0.00131 -0.00113 -0.00020 -0.00012 -0.00201 167 4ZZ -0.00060 -0.00081 -0.00077 0.00050 0.00368 168 4XY 0.00002 0.00064 -0.00063 0.00109 0.00483 169 4XZ 0.00045 0.00119 -0.00044 0.00092 0.00383 170 4YZ 0.00187 0.00242 -0.00009 0.00016 0.00083 171 21 H 1S -0.00958 -0.02032 -0.00009 0.00155 0.00406 172 2S -0.01819 -0.02705 -0.00016 0.00078 0.01098 173 22 C 1S 0.01200 0.01317 -0.00079 0.00104 0.00277 174 2S -0.02503 -0.02515 0.00199 -0.00175 -0.00617 175 2PX 0.00119 0.01121 -0.00963 0.02498 0.07996 176 2PY -0.03551 -0.07201 -0.00207 0.00399 0.01542 177 2PZ 0.02634 0.04447 -0.00593 0.01187 0.04217 178 3S -0.05340 -0.05075 0.00046 0.00054 -0.01413 179 3PX 0.00288 0.01043 -0.00683 0.01767 0.06989 180 3PY 0.00016 -0.00615 -0.00002 0.00207 0.02261 181 3PZ 0.01383 0.02115 -0.00510 0.00928 0.04594 182 4XX -0.00034 0.00001 -0.00014 0.00020 0.00030 183 4YY 0.00821 0.00894 -0.00010 0.00011 -0.00033 184 4ZZ -0.00399 -0.00657 0.00004 -0.00017 0.00075 185 4XY 0.00106 0.00124 0.00000 -0.00028 -0.00039 186 4XZ 0.00251 0.00293 -0.00007 0.00010 0.00109 187 4YZ -0.00527 -0.00301 -0.00006 -0.00030 0.00003 188 23 H 1S -0.02319 -0.02812 0.00002 -0.00076 0.00150 189 2S -0.02695 -0.03335 -0.00003 -0.00121 -0.00769 76 77 78 79 80 76 2PY 0.42720 77 2PZ 0.02949 0.37348 78 3S -0.01051 -0.02721 0.29829 79 3PX -0.03545 0.08676 0.06614 0.12440 80 3PY 0.11860 -0.02025 0.00436 -0.03352 0.05446 81 3PZ -0.00971 0.15212 0.00030 0.06151 -0.02293 82 4XX -0.00778 0.01088 -0.00905 -0.00247 -0.00221 83 4YY 0.01269 -0.00499 -0.00043 -0.00017 0.00159 84 4ZZ -0.01286 -0.00481 -0.00472 0.00056 -0.00161 85 4XY -0.00401 0.01210 -0.00207 0.00126 -0.00270 86 4XZ 0.01035 -0.00651 -0.00367 0.00045 0.00121 87 4YZ -0.00703 -0.00873 0.01237 0.00579 -0.00148 88 12 H 1S -0.16770 -0.18567 0.13441 0.02250 -0.03577 89 2S -0.14098 -0.16242 0.04355 -0.00445 -0.02170 90 13 C 1S -0.08140 -0.01021 0.00365 -0.00163 -0.00211 91 2S 0.16729 0.02071 0.02452 0.00225 0.01902 92 2PX -0.01455 0.10665 0.04690 0.10725 -0.01717 93 2PY -0.32246 0.02664 -0.13817 0.01279 -0.09534 94 2PZ -0.03541 0.12973 0.06264 0.06759 -0.02138 95 3S 0.13714 0.06565 -0.03662 0.02467 -0.00742 96 3PX -0.01411 0.06756 0.02446 0.06251 -0.01874 97 3PY -0.09541 0.01738 0.00643 0.01712 -0.01864 98 3PZ -0.03904 0.08639 0.03411 0.05298 -0.01817 99 4XX -0.01250 0.00048 -0.00352 0.00136 -0.00404 100 4YY 0.00768 0.00161 0.01083 0.00203 0.00314 101 4ZZ -0.01069 -0.00527 -0.00897 -0.00434 -0.00178 102 4XY 0.00502 -0.00438 -0.00648 -0.00820 0.00234 103 4XZ 0.00515 -0.00100 0.00350 -0.00008 0.00297 104 4YZ -0.00006 -0.01354 0.00501 -0.00501 0.00314 105 14 H 1S -0.04258 -0.00251 -0.07015 -0.00655 -0.02480 106 2S -0.07122 0.00548 -0.06789 -0.00828 -0.02608 107 15 O 1S 0.00980 -0.02423 0.03481 -0.00469 0.01014 108 2S -0.03318 0.05451 -0.08889 0.01354 -0.02102 109 2PX -0.10787 0.17949 0.03640 -0.03163 -0.01184 110 2PY -0.03623 0.08018 0.06870 0.02052 0.04779 111 2PZ 0.07799 -0.08517 -0.08849 0.07256 0.03435 112 3S 0.02845 0.05879 -0.13432 0.02447 -0.01197 113 3PX -0.05652 0.08385 0.00337 -0.02173 0.00059 114 3PY -0.03166 0.06519 0.05325 0.01901 0.02838 115 3PZ 0.04394 -0.06329 -0.05555 0.03133 0.02501 116 4XX -0.00647 0.00489 0.00516 0.00494 -0.00305 117 4YY -0.00068 0.00439 0.00243 0.00098 0.00269 118 4ZZ -0.00545 -0.00863 0.00360 -0.00560 -0.00102 119 4XY 0.00361 0.00946 0.00435 -0.00179 0.00211 120 4XZ 0.00372 -0.00090 -0.00574 0.00024 0.00087 121 4YZ -0.00304 -0.00297 -0.00524 0.00477 -0.00164 122 16 O 1S 0.00179 0.00717 -0.02204 0.00006 -0.00838 123 2S -0.01727 -0.01533 0.04461 -0.00134 0.01352 124 2PX -0.04085 -0.03170 -0.03850 -0.06101 -0.00406 125 2PY 0.05661 0.01863 0.12853 0.02294 0.07176 126 2PZ 0.04403 -0.05417 -0.01687 -0.06032 0.04308 127 3S 0.02654 -0.04120 0.08731 0.00918 0.03791 128 3PX -0.02556 -0.03668 -0.03096 -0.05143 0.00066 129 3PY 0.04098 0.00921 0.08199 0.01033 0.05001 130 3PZ 0.03309 -0.04888 -0.02121 -0.05495 0.03232 131 4XX -0.00362 0.00418 0.00069 0.00174 -0.00136 132 4YY -0.00278 0.00109 -0.00731 -0.00043 -0.00374 133 4ZZ -0.00265 -0.00168 -0.00197 -0.00143 -0.00123 134 4XY -0.00610 0.00023 0.00005 0.00312 -0.00169 135 4XZ -0.00125 -0.00039 -0.00026 0.00116 0.00042 136 4YZ 0.00423 -0.00007 -0.00031 -0.00004 -0.00035 137 17 C 1S 0.00987 0.00098 0.00659 -0.00863 0.00707 138 2S -0.03282 0.00058 -0.00926 0.01911 -0.01701 139 2PX -0.02070 -0.02352 -0.04617 0.02148 -0.00365 140 2PY -0.02412 0.03687 -0.01727 -0.02807 -0.02980 141 2PZ 0.00795 -0.00057 0.03480 -0.02209 -0.00478 142 3S -0.04932 -0.00128 0.00508 0.02297 -0.02312 143 3PX -0.01562 -0.03467 -0.02791 -0.00698 0.00196 144 3PY -0.00350 0.02753 -0.00492 -0.01064 0.00019 145 3PZ 0.00428 -0.00605 0.00697 -0.01230 0.00265 146 4XX -0.00195 0.00469 -0.00277 -0.00314 0.00099 147 4YY 0.00499 -0.00642 -0.00313 0.00459 0.00138 148 4ZZ -0.00114 0.00215 0.00514 -0.00392 -0.00126 149 4XY -0.00198 -0.00223 -0.00067 -0.00387 -0.00350 150 4XZ -0.00053 -0.00271 -0.00161 0.00122 0.00085 151 4YZ 0.00083 -0.00045 0.00104 -0.00296 0.00154 152 18 H 1S -0.00720 0.01453 0.03107 -0.01284 -0.01197 153 2S 0.00523 0.01443 0.02947 -0.01976 -0.00753 154 19 H 1S -0.00500 0.00582 -0.00372 -0.00738 0.00326 155 2S 0.00700 -0.02532 -0.02428 -0.03238 0.01826 156 20 C 1S -0.00045 0.00467 0.00609 0.00375 -0.00115 157 2S 0.00138 -0.01530 0.00433 -0.01626 0.01040 158 2PX -0.00677 0.00052 0.02152 0.01942 0.00788 159 2PY 0.00342 -0.00054 -0.00936 -0.00515 -0.00234 160 2PZ -0.00191 0.01514 -0.00827 0.03320 -0.01685 161 3S -0.01157 0.00429 0.00534 0.01584 0.00052 162 3PX -0.01389 0.01281 0.02096 0.02789 -0.00184 163 3PY 0.00692 0.00860 -0.00482 0.00329 -0.00183 164 3PZ -0.00108 0.01224 0.01003 0.01127 -0.00324 165 4XX -0.00004 -0.00027 0.00012 0.00000 -0.00001 166 4YY 0.00054 -0.00170 -0.00164 -0.00133 -0.00030 167 4ZZ -0.00136 0.00325 0.00211 0.00268 -0.00106 168 4XY -0.00094 0.00452 0.00133 0.00429 -0.00218 169 4XZ -0.00063 0.00418 0.00142 0.00256 -0.00132 170 4YZ -0.00006 0.00072 0.00161 -0.00008 0.00034 171 21 H 1S -0.00113 0.00399 -0.00567 0.00994 -0.00691 172 2S -0.00084 0.00707 -0.01040 0.01626 -0.01014 173 22 C 1S 0.00029 0.00249 0.00321 0.00163 0.00074 174 2S -0.00016 -0.00471 -0.01700 0.00011 -0.00694 175 2PX -0.00923 0.07425 0.02570 0.07649 -0.03364 176 2PY -0.00475 0.01303 0.00576 0.02006 -0.00772 177 2PZ -0.00084 0.03701 0.04040 0.03020 -0.00132 178 3S -0.01397 -0.00982 -0.01410 -0.01023 -0.00606 179 3PX -0.01310 0.06738 0.02584 0.06219 -0.02753 180 3PY -0.00356 0.02376 0.00688 0.02245 -0.00840 181 3PZ -0.00113 0.03737 0.01963 0.03692 -0.01208 182 4XX 0.00022 0.00057 0.00058 0.00019 -0.00003 183 4YY 0.00052 -0.00014 0.00129 -0.00027 0.00054 184 4ZZ -0.00119 0.00056 -0.00031 0.00034 -0.00038 185 4XY 0.00071 0.00051 -0.00082 -0.00025 -0.00068 186 4XZ -0.00026 0.00084 0.00068 0.00037 0.00025 187 4YZ 0.00007 0.00004 0.00107 -0.00089 0.00069 188 23 H 1S -0.00110 -0.00028 0.00821 -0.00103 0.00408 189 2S -0.00049 -0.00707 0.01035 -0.01025 0.00981 81 82 83 84 85 81 3PZ 0.08163 82 4XX 0.00346 0.00256 83 4YY -0.00045 -0.00065 0.00122 84 4ZZ -0.00236 -0.00051 -0.00036 0.00177 85 4XY 0.00467 0.00076 -0.00008 -0.00055 0.00158 86 4XZ 0.00015 -0.00029 0.00086 -0.00049 -0.00038 87 4YZ -0.00032 -0.00050 0.00002 0.00001 -0.00055 88 12 H 1S -0.06141 -0.00931 -0.00190 0.00698 -0.00631 89 2S -0.05486 -0.00720 -0.00165 0.00861 -0.00603 90 13 C 1S -0.00520 0.00305 -0.00654 0.00377 -0.00009 91 2S 0.01713 -0.00697 0.01200 -0.00872 0.00066 92 2PX 0.06617 0.00151 -0.00051 -0.00345 0.01305 93 2PY 0.03584 0.01248 -0.00767 0.01079 0.00513 94 2PZ 0.08662 0.00072 0.00103 -0.00458 0.00446 95 3S 0.03467 -0.00354 0.01108 -0.00918 0.00649 96 3PX 0.05337 0.00135 0.00195 -0.00416 0.00818 97 3PY 0.01676 0.00401 -0.00319 0.00196 0.00237 98 3PZ 0.04908 0.00180 -0.00146 -0.00183 0.00439 99 4XX 0.00170 0.00068 -0.00031 0.00020 -0.00013 100 4YY -0.00119 -0.00030 -0.00012 -0.00031 0.00010 101 4ZZ -0.00210 0.00018 -0.00030 0.00079 0.00000 102 4XY -0.00432 0.00013 -0.00008 -0.00001 0.00003 103 4XZ -0.00234 -0.00006 -0.00024 -0.00012 0.00031 104 4YZ -0.00621 -0.00049 0.00007 0.00019 -0.00058 105 14 H 1S -0.00009 0.00263 0.00064 0.00217 0.00245 106 2S -0.00157 0.00350 -0.00285 0.00477 0.00040 107 15 O 1S 0.00961 -0.00322 0.00174 -0.00083 -0.00475 108 2S -0.02457 0.00838 -0.00391 0.00220 0.01092 109 2PX 0.03235 -0.00944 -0.00895 0.01377 0.00468 110 2PY 0.00729 0.01077 -0.01677 0.00632 -0.01226 111 2PZ -0.03055 -0.02925 0.00543 0.02484 -0.01671 112 3S -0.02989 0.00468 0.00003 0.00242 0.01476 113 3PX 0.00701 -0.00782 -0.00545 0.01111 -0.00017 114 3PY 0.01003 0.00653 -0.01110 0.00430 -0.00688 115 3PZ -0.02941 -0.02031 0.00304 0.01749 -0.01101 116 4XX 0.00338 -0.00032 -0.00004 0.00019 0.00023 117 4YY 0.00115 0.00063 -0.00087 0.00032 -0.00092 118 4ZZ -0.00313 0.00037 0.00004 -0.00046 0.00013 119 4XY 0.00154 -0.00058 -0.00023 0.00029 0.00007 120 4XZ 0.00113 0.00005 0.00022 -0.00002 -0.00024 121 4YZ 0.00032 -0.00114 0.00029 0.00108 -0.00035 122 16 O 1S -0.00200 0.00001 -0.00111 -0.00027 0.00007 123 2S 0.00738 0.00036 0.00165 0.00067 0.00009 124 2PX -0.00340 -0.00315 0.00298 0.00296 -0.00583 125 2PY -0.02304 0.00011 -0.00528 0.00040 0.00297 126 2PZ -0.03815 -0.00258 -0.00236 0.00304 0.00425 127 3S -0.00287 -0.00165 0.00284 -0.00035 0.00063 128 3PX -0.01109 -0.00260 0.00141 0.00281 -0.00414 129 3PY -0.01888 0.00020 -0.00397 0.00059 0.00134 130 3PZ -0.03391 -0.00153 -0.00133 0.00224 0.00170 131 4XX 0.00259 -0.00003 0.00007 -0.00004 0.00054 132 4YY 0.00168 0.00023 0.00003 -0.00001 -0.00035 133 4ZZ -0.00163 0.00020 -0.00007 0.00004 -0.00011 134 4XY 0.00008 0.00042 -0.00038 0.00015 0.00033 135 4XZ -0.00070 0.00003 -0.00030 0.00022 0.00000 136 4YZ 0.00024 -0.00011 0.00036 -0.00031 -0.00040 137 17 C 1S -0.00109 -0.00090 0.00099 -0.00061 0.00137 138 2S 0.00897 0.00266 -0.00247 0.00119 -0.00300 139 2PX -0.00788 0.00614 -0.00385 0.00274 -0.00527 140 2PY 0.02149 -0.00292 0.00295 -0.00166 0.00798 141 2PZ -0.00477 -0.00299 0.00201 -0.00169 0.00257 142 3S 0.01572 0.00060 -0.00181 0.00107 -0.00264 143 3PX -0.01564 0.00036 -0.00160 0.00330 -0.00343 144 3PY 0.00452 0.00024 -0.00088 0.00010 0.00336 145 3PZ -0.00736 -0.00345 0.00072 0.00175 0.00024 146 4XX 0.00062 -0.00048 -0.00031 0.00078 -0.00044 147 4YY -0.00238 0.00032 0.00018 -0.00012 0.00017 148 4ZZ 0.00060 0.00023 0.00012 -0.00069 0.00034 149 4XY 0.00205 -0.00026 0.00069 -0.00054 0.00051 150 4XZ -0.00067 -0.00104 0.00016 0.00079 -0.00003 151 4YZ -0.00114 0.00104 -0.00032 -0.00064 0.00033 152 18 H 1S 0.00624 0.00094 0.00056 -0.00334 0.00173 153 2S 0.00331 0.00365 0.00075 -0.00574 0.00255 154 19 H 1S 0.00184 -0.00397 -0.00001 0.00288 -0.00086 155 2S -0.02130 -0.00781 0.00018 0.00698 -0.00258 156 20 C 1S 0.00702 -0.00017 -0.00029 -0.00095 0.00008 157 2S -0.00530 0.00023 -0.00008 0.00042 0.00024 158 2PX 0.00996 -0.00357 0.00179 -0.00105 0.00517 159 2PY -0.00189 0.00041 0.00028 0.00018 -0.00110 160 2PZ -0.00160 -0.00045 0.00134 -0.00150 0.00184 161 3S 0.00392 -0.00206 -0.00027 0.00272 -0.00160 162 3PX 0.01367 -0.00154 0.00109 -0.00150 0.00405 163 3PY 0.00153 0.00029 -0.00011 0.00034 -0.00147 164 3PZ 0.00601 0.00094 0.00055 -0.00228 0.00290 165 4XX -0.00048 -0.00007 0.00000 0.00003 0.00001 166 4YY -0.00117 0.00002 0.00008 -0.00005 -0.00003 167 4ZZ 0.00198 0.00033 -0.00010 -0.00019 0.00001 168 4XY 0.00254 0.00016 -0.00001 -0.00016 -0.00001 169 4XZ 0.00264 0.00008 -0.00003 -0.00007 -0.00001 170 4YZ 0.00143 -0.00005 0.00002 -0.00003 -0.00002 171 21 H 1S -0.00486 0.00097 -0.00010 -0.00042 -0.00001 172 2S -0.00492 0.00041 -0.00005 0.00007 -0.00063 173 22 C 1S 0.00134 -0.00011 -0.00013 -0.00033 0.00020 174 2S -0.00763 0.00030 0.00012 0.00041 -0.00066 175 2PX 0.04424 0.00115 0.00061 -0.00324 0.00065 176 2PY 0.00441 0.00026 -0.00052 -0.00055 0.00020 177 2PZ 0.03546 0.00035 0.00067 -0.00209 0.00101 178 3S -0.00404 -0.00041 0.00001 0.00074 0.00113 179 3PX 0.04288 0.00156 0.00039 -0.00298 0.00149 180 3PY 0.01171 0.00063 -0.00041 -0.00041 -0.00028 181 3PZ 0.02587 0.00090 0.00062 -0.00194 0.00013 182 4XX 0.00057 0.00000 0.00001 -0.00004 -0.00005 183 4YY 0.00013 0.00004 0.00000 -0.00003 -0.00008 184 4ZZ 0.00040 0.00008 -0.00001 -0.00005 0.00024 185 4XY -0.00021 0.00016 -0.00007 0.00001 -0.00031 186 4XZ 0.00054 -0.00002 0.00003 -0.00005 0.00018 187 4YZ 0.00088 0.00005 -0.00004 0.00000 -0.00003 188 23 H 1S 0.00499 0.00000 0.00002 -0.00008 0.00042 189 2S 0.00240 -0.00018 -0.00013 0.00005 0.00098 86 87 88 89 90 86 4XZ 0.00158 87 4YZ 0.00009 0.00181 88 12 H 1S -0.00362 0.01334 0.21506 89 2S -0.00271 0.01013 0.15908 0.14235 90 13 C 1S -0.00126 0.00081 0.01683 0.02098 2.05263 91 2S 0.00300 -0.00153 -0.03774 -0.04265 -0.06341 92 2PX -0.00119 0.00413 -0.01260 -0.02450 -0.01185 93 2PY -0.00506 -0.00072 0.04272 0.07181 0.00620 94 2PZ -0.00096 0.01361 -0.00186 0.00645 0.01409 95 3S 0.00367 -0.00443 -0.06994 -0.06744 -0.17209 96 3PX 0.00013 0.00515 -0.00639 -0.00794 -0.02135 97 3PY -0.00291 0.00292 0.02508 0.02680 0.00635 98 3PZ -0.00223 0.00619 -0.00027 -0.00153 0.00701 99 4XX -0.00006 0.00048 0.00262 0.00347 -0.01239 100 4YY -0.00025 -0.00009 0.00039 -0.00305 -0.01720 101 4ZZ -0.00011 -0.00019 0.00240 0.00498 -0.01503 102 4XY -0.00031 -0.00058 -0.00242 -0.00041 -0.00072 103 4XZ 0.00001 -0.00019 -0.00116 -0.00218 0.00380 104 4YZ 0.00018 0.00061 0.00699 0.00652 0.00388 105 14 H 1S -0.00112 -0.00702 -0.00989 -0.00468 -0.06712 106 2S -0.00215 -0.00679 -0.00532 -0.00010 -0.01644 107 15 O 1S 0.00499 0.00417 0.01283 0.01386 -0.00167 108 2S -0.01150 -0.00932 -0.02686 -0.02831 0.00706 109 2PX -0.01996 -0.01250 -0.01031 -0.00410 0.00947 110 2PY -0.01495 0.00896 0.01999 0.02717 0.02372 111 2PZ 0.00310 0.00072 0.05218 0.09413 0.00066 112 3S -0.00951 -0.01455 -0.06308 -0.05546 -0.00439 113 3PX -0.01182 -0.00720 0.00191 0.01310 0.00716 114 3PY -0.01051 0.00545 0.01303 0.01539 0.01438 115 3PZ 0.00043 -0.00094 0.04033 0.06791 0.00271 116 4XX -0.00006 0.00013 0.00264 0.00069 0.00035 117 4YY -0.00076 0.00072 0.00074 0.00204 0.00143 118 4ZZ 0.00023 0.00018 0.00417 0.00245 0.00100 119 4XY -0.00079 -0.00054 -0.00294 -0.00283 -0.00095 120 4XZ 0.00064 0.00001 -0.00345 -0.00111 0.00013 121 4YZ 0.00028 0.00010 0.00323 0.00477 0.00075 122 16 O 1S -0.00024 -0.00032 -0.00278 -0.00195 0.00574 123 2S 0.00049 0.00055 0.00878 0.00716 -0.01011 124 2PX 0.00016 0.00544 0.02796 0.05715 -0.05523 125 2PY -0.00135 -0.00366 -0.02025 -0.04592 0.02603 126 2PZ -0.00091 -0.00355 -0.00874 0.00667 0.03881 127 3S 0.00290 0.00101 0.01007 -0.00123 0.00851 128 3PX 0.00000 0.00251 0.02093 0.04130 -0.02444 129 3PY -0.00122 -0.00272 -0.01399 -0.02985 0.02137 130 3PZ -0.00038 -0.00318 -0.00683 0.00641 0.01967 131 4XX -0.00007 0.00008 -0.00019 0.00011 -0.00265 132 4YY -0.00015 0.00034 0.00068 0.00225 -0.00107 133 4ZZ 0.00005 -0.00040 -0.00005 -0.00078 -0.00138 134 4XY -0.00010 -0.00020 0.00091 -0.00028 0.00419 135 4XZ -0.00009 0.00007 0.00087 0.00096 0.00532 136 4YZ 0.00015 0.00006 -0.00057 -0.00072 -0.00345 137 17 C 1S -0.00002 -0.00179 -0.00640 -0.00669 -0.00314 138 2S -0.00071 0.00433 0.01744 0.01879 0.00673 139 2PX -0.00390 0.00540 0.02353 0.03232 0.01266 140 2PY -0.00050 -0.00716 -0.02355 -0.02324 0.00323 141 2PZ 0.00168 -0.00163 -0.00905 -0.02371 -0.00735 142 3S 0.00110 0.00499 0.02693 0.02482 0.01015 143 3PX -0.00088 0.00126 0.01900 0.02629 0.01054 144 3PY -0.00253 -0.00315 -0.01601 -0.01286 0.00299 145 3PZ -0.00041 -0.00128 0.00194 0.00051 -0.00558 146 4XX -0.00077 -0.00014 0.00020 0.00291 -0.00080 147 4YY 0.00040 0.00003 0.00002 -0.00050 0.00215 148 4ZZ 0.00018 -0.00019 -0.00170 -0.00358 -0.00172 149 4XY 0.00063 -0.00021 -0.00041 -0.00065 -0.00069 150 4XZ 0.00020 -0.00021 0.00197 0.00320 0.00079 151 4YZ -0.00006 0.00012 -0.00183 -0.00220 0.00038 152 18 H 1S 0.00118 0.00010 -0.00860 -0.02144 -0.00639 153 2S 0.00170 -0.00081 -0.01975 -0.03396 -0.00610 154 19 H 1S -0.00023 -0.00139 0.00316 0.01184 -0.00127 155 2S -0.00119 -0.00389 0.00888 0.02645 0.00095 156 20 C 1S -0.00035 -0.00007 -0.00110 -0.00137 -0.00083 157 2S 0.00045 0.00025 0.00303 0.00750 0.00208 158 2PX -0.00633 0.00503 0.02325 0.03382 -0.00959 159 2PY 0.00050 -0.00087 -0.00392 -0.00269 0.00223 160 2PZ -0.00307 0.00225 0.00491 -0.00216 -0.00592 161 3S -0.00017 -0.00007 0.00809 0.00769 0.00074 162 3PX -0.00432 0.00456 0.01802 0.02087 -0.00684 163 3PY 0.00100 -0.00181 -0.01066 -0.01334 0.00002 164 3PZ -0.00199 0.00227 0.00143 0.00017 -0.00515 165 4XX -0.00014 0.00004 0.00047 0.00043 -0.00014 166 4YY -0.00004 0.00001 0.00024 0.00044 -0.00010 167 4ZZ 0.00023 0.00004 -0.00076 -0.00204 0.00005 168 4XY 0.00009 -0.00005 -0.00113 -0.00278 0.00000 169 4XZ 0.00012 -0.00002 -0.00097 -0.00169 -0.00007 170 4YZ -0.00001 -0.00003 -0.00009 0.00015 0.00004 171 21 H 1S 0.00031 0.00013 -0.00206 -0.00857 0.00002 172 2S 0.00052 -0.00048 -0.00324 -0.01157 -0.00008 173 22 C 1S -0.00002 0.00006 -0.00023 -0.00039 -0.00153 174 2S 0.00032 -0.00063 -0.00096 -0.00333 0.00135 175 2PX -0.00081 -0.00002 -0.01472 -0.03979 -0.00399 176 2PY 0.00005 -0.00002 -0.00170 -0.01076 -0.00064 177 2PZ -0.00080 0.00084 -0.00626 -0.00962 -0.00366 178 3S -0.00180 0.00066 0.00939 0.01395 0.00218 179 3PX -0.00052 0.00058 -0.01284 -0.03107 -0.00588 180 3PY 0.00060 -0.00066 -0.00777 -0.01602 -0.00349 181 3PZ 0.00056 0.00053 -0.00818 -0.01763 -0.00351 182 4XX 0.00001 -0.00003 -0.00029 -0.00039 -0.00074 183 4YY 0.00006 -0.00008 -0.00034 -0.00054 -0.00018 184 4ZZ -0.00007 0.00020 0.00054 0.00088 -0.00080 185 4XY 0.00030 -0.00030 -0.00141 -0.00233 0.00065 186 4XZ -0.00005 0.00020 0.00029 0.00071 -0.00040 187 4YZ 0.00011 -0.00004 -0.00024 0.00014 0.00008 188 23 H 1S -0.00019 0.00039 0.00134 0.00420 -0.00034 189 2S -0.00059 0.00062 0.00356 0.00982 -0.00053 91 92 93 94 95 91 2S 0.33264 92 2PX 0.01995 0.35367 93 2PY -0.01479 0.03616 0.42884 94 2PZ -0.02190 0.01924 -0.02811 0.37146 95 3S 0.27311 0.08924 0.01120 -0.02575 0.30141 96 3PX 0.04320 0.18195 0.03446 0.08703 0.06827 97 3PY -0.00288 0.04926 0.11890 0.01974 -0.00337 98 3PZ -0.02230 0.07203 0.00905 0.15194 0.00087 99 4XX -0.01160 -0.01055 0.00757 0.01109 -0.00900 100 4YY -0.00112 0.00639 -0.01235 -0.00557 0.00001 101 4ZZ -0.00570 0.00115 0.01269 -0.00429 -0.00527 102 4XY 0.00128 0.00160 -0.00350 -0.01202 0.00208 103 4XZ -0.00896 0.00970 -0.01021 -0.00700 -0.00345 104 4YZ -0.00795 -0.01317 -0.00783 0.00854 -0.01236 105 14 H 1S 0.13219 0.07483 0.17141 -0.18219 0.13411 106 2S 0.03866 0.03700 0.14336 -0.16006 0.04147 107 15 O 1S 0.00506 -0.00601 -0.00195 0.00723 -0.02203 108 2S -0.01593 0.01446 0.01765 -0.01523 0.04464 109 2PX -0.02357 -0.05432 0.04131 -0.03112 -0.03961 110 2PY -0.05640 0.02230 0.05799 -0.01654 -0.12837 111 2PZ -0.00423 -0.05044 -0.04182 -0.05539 -0.02028 112 3S -0.00299 0.04357 -0.02575 -0.04228 0.08723 113 3PX -0.01767 -0.04802 0.02609 -0.03618 -0.03188 114 3PY -0.03751 0.02440 0.04189 -0.00763 -0.08169 115 3PZ -0.00751 -0.05498 -0.03129 -0.04966 -0.02349 116 4XX -0.00011 0.00298 0.00356 0.00427 0.00070 117 4YY -0.00235 0.00039 0.00260 0.00111 -0.00732 118 4ZZ -0.00106 -0.00400 0.00283 -0.00163 -0.00195 119 4XY 0.00217 -0.00304 -0.00612 -0.00035 -0.00008 120 4XZ -0.00037 0.00120 0.00113 -0.00036 -0.00026 121 4YZ -0.00154 0.00084 0.00424 0.00020 0.00019 122 16 O 1S -0.00818 0.02661 -0.00925 -0.02447 0.03507 123 2S 0.01259 -0.06255 0.03190 0.05537 -0.08948 124 2PX 0.11985 -0.16241 0.10393 0.18229 0.03413 125 2PY -0.05425 0.08002 -0.03269 -0.07886 -0.06647 126 2PZ -0.07531 0.18947 -0.07667 -0.08750 -0.09094 127 3S -0.01438 -0.03701 -0.02963 0.05831 -0.13526 128 3PX 0.05752 -0.09492 0.05464 0.08531 0.00157 129 3PY -0.04371 0.04964 -0.02933 -0.06444 -0.05187 130 3PZ -0.03696 0.09359 -0.04321 -0.06471 -0.05761 131 4XX 0.00398 0.00730 0.00639 0.00505 0.00526 132 4YY 0.00108 -0.00336 0.00070 0.00430 0.00224 133 4ZZ 0.00163 -0.00665 0.00549 -0.00838 0.00379 134 4XY -0.00841 0.00827 0.00391 -0.00937 -0.00414 135 4XZ -0.00886 0.00436 -0.00360 -0.00117 -0.00580 136 4YZ 0.00611 -0.01217 -0.00325 0.00316 0.00520 137 17 C 1S 0.00638 -0.01152 -0.00993 0.00077 0.00659 138 2S -0.01756 0.03150 0.03290 0.00128 -0.00905 139 2PX -0.03069 0.02355 0.02129 -0.02291 -0.04575 140 2PY -0.00805 0.03073 -0.02303 -0.03764 0.01670 141 2PZ 0.01907 -0.02675 -0.00847 -0.00150 0.03510 142 3S -0.01298 0.04925 0.04948 -0.00031 0.00536 143 3PX -0.01960 -0.00271 0.01634 -0.03418 -0.02793 144 3PY -0.00748 0.03165 -0.00266 -0.02800 0.00494 145 3PZ 0.00936 -0.01359 -0.00428 -0.00663 0.00674 146 4XX 0.00210 -0.00733 0.00185 0.00473 -0.00293 147 4YY -0.00471 0.00916 -0.00488 -0.00651 -0.00298 148 4ZZ 0.00369 -0.00735 0.00110 0.00217 0.00510 149 4XY 0.00169 -0.00093 -0.00203 0.00230 0.00068 150 4XZ -0.00195 0.00587 0.00056 -0.00264 -0.00165 151 4YZ -0.00065 0.00644 0.00070 0.00030 -0.00124 152 18 H 1S 0.01538 -0.02382 0.00685 0.01458 0.03120 153 2S 0.01493 -0.04143 -0.00559 0.01416 0.02983 154 19 H 1S 0.00254 -0.00528 0.00487 0.00598 -0.00435 155 2S -0.00179 -0.03554 -0.00658 -0.02524 -0.02547 156 20 C 1S 0.00112 0.00292 -0.00031 0.00263 0.00329 157 2S -0.00187 -0.00645 0.00018 -0.00504 -0.01744 158 2PX 0.02490 0.07909 0.00814 0.07345 0.02589 159 2PY -0.00425 -0.01623 -0.00477 -0.01351 -0.00721 160 2PZ 0.01170 0.04148 0.00012 0.03665 0.04067 161 3S -0.00041 -0.01831 0.01366 -0.01206 -0.01793 162 3PX 0.01749 0.06871 0.01223 0.06644 0.02578 163 3PY -0.00220 -0.02417 -0.00342 -0.02444 -0.00832 164 3PZ 0.00945 0.04651 0.00046 0.03763 0.02101 165 4XX 0.00020 0.00030 -0.00024 0.00057 0.00061 166 4YY 0.00010 -0.00036 -0.00050 -0.00018 0.00129 167 4ZZ -0.00017 0.00071 0.00116 0.00058 -0.00034 168 4XY 0.00028 0.00045 0.00070 -0.00041 0.00073 169 4XZ 0.00010 0.00116 0.00025 0.00089 0.00070 170 4YZ 0.00034 0.00001 0.00006 -0.00002 -0.00100 171 21 H 1S -0.00087 0.00131 0.00100 -0.00021 0.00825 172 2S -0.00130 -0.00801 0.00043 -0.00690 0.01015 173 22 C 1S 0.00120 0.00452 0.00057 0.00472 0.00652 174 2S -0.00481 -0.01492 -0.00155 -0.01534 0.00308 175 2PX 0.01425 0.01884 0.00632 0.00251 0.01947 176 2PY 0.00027 0.00403 0.00303 0.00034 0.00913 177 2PZ 0.01486 0.02222 0.00245 0.01621 -0.00595 178 3S -0.00177 0.02259 0.01083 0.00519 0.00493 179 3PX 0.01463 0.03020 0.01312 0.01474 0.02016 180 3PY 0.00350 -0.00344 0.00662 -0.00886 0.00326 181 3PZ 0.01066 0.00672 0.00148 0.01243 0.01045 182 4XX 0.00070 -0.00072 0.00007 -0.00026 0.00016 183 4YY -0.00015 -0.00205 -0.00056 -0.00172 -0.00170 184 4ZZ 0.00058 0.00389 0.00140 0.00336 0.00235 185 4XY -0.00111 -0.00483 -0.00089 -0.00453 -0.00145 186 4XZ 0.00083 0.00359 0.00050 0.00402 0.00135 187 4YZ -0.00012 -0.00085 -0.00004 -0.00077 -0.00154 188 23 H 1S 0.00205 0.00493 0.00154 0.00432 -0.00401 189 2S 0.00161 0.01299 0.00155 0.00788 -0.00764 96 97 98 99 100 96 3PX 0.12507 97 3PY 0.03282 0.05431 98 3PZ 0.06128 0.02236 0.08187 99 4XX -0.00249 0.00217 0.00355 0.00257 100 4YY 0.00001 -0.00156 -0.00053 -0.00067 0.00122 101 4ZZ 0.00031 0.00162 -0.00232 -0.00050 -0.00036 102 4XY -0.00132 -0.00253 -0.00473 -0.00075 0.00008 103 4XZ 0.00040 -0.00122 0.00007 -0.00030 0.00087 104 4YZ -0.00587 -0.00157 0.00035 0.00050 -0.00005 105 14 H 1S 0.02298 0.03714 -0.06100 -0.00937 -0.00144 106 2S -0.00543 0.02211 -0.05513 -0.00728 -0.00130 107 15 O 1S 0.00011 0.00842 -0.00178 0.00001 -0.00113 108 2S -0.00143 -0.01361 0.00699 0.00036 0.00167 109 2PX -0.06155 0.00434 -0.00368 -0.00317 0.00319 110 2PY -0.02221 0.07237 0.02504 -0.00008 0.00547 111 2PZ -0.06072 -0.04064 -0.03879 -0.00256 -0.00239 112 3S 0.00855 -0.03805 -0.00416 -0.00164 0.00286 113 3PX -0.05182 -0.00031 -0.01131 -0.00260 0.00151 114 3PY -0.00962 0.05041 0.02026 -0.00018 0.00410 115 3PZ -0.05513 -0.03038 -0.03423 -0.00152 -0.00136 116 4XX 0.00180 0.00131 0.00262 -0.00003 0.00007 117 4YY -0.00047 0.00374 0.00173 0.00022 0.00006 118 4ZZ -0.00144 0.00127 -0.00159 0.00020 -0.00009 119 4XY -0.00317 -0.00169 -0.00010 -0.00042 0.00040 120 4XZ 0.00111 -0.00044 -0.00068 0.00002 -0.00029 121 4YZ 0.00008 -0.00027 -0.00020 0.00011 -0.00036 122 16 O 1S -0.00479 -0.01024 0.00942 -0.00323 0.00190 123 2S 0.01385 0.02134 -0.02411 0.00841 -0.00426 124 2PX -0.03143 0.01112 0.03258 -0.00942 -0.00940 125 2PY -0.02228 0.04830 -0.00531 -0.01016 0.01628 126 2PZ 0.07241 -0.03221 -0.03116 -0.02954 0.00586 127 3S 0.02508 0.01202 -0.02988 0.00468 -0.00052 128 3PX -0.02168 -0.00082 0.00685 -0.00784 -0.00570 129 3PY -0.01999 0.02883 -0.00858 -0.00611 0.01081 130 3PZ 0.03116 -0.02346 -0.02973 -0.02048 0.00328 131 4XX 0.00492 0.00302 0.00342 -0.00032 -0.00004 132 4YY 0.00117 -0.00260 0.00112 0.00059 -0.00083 133 4ZZ -0.00575 0.00102 -0.00305 0.00041 0.00003 134 4XY 0.00180 0.00218 -0.00150 0.00057 0.00024 135 4XZ 0.00026 -0.00084 0.00110 0.00006 0.00023 136 4YZ -0.00463 -0.00175 -0.00027 0.00114 -0.00031 137 17 C 1S -0.00875 -0.00709 -0.00110 -0.00089 0.00092 138 2S 0.01926 0.01701 0.00915 0.00264 -0.00231 139 2PX 0.02157 0.00414 -0.00785 0.00611 -0.00364 140 2PY 0.02834 -0.02923 -0.02224 0.00296 -0.00272 141 2PZ -0.02165 0.00410 -0.00494 -0.00292 0.00189 142 3S 0.02307 0.02293 0.01593 0.00058 -0.00164 143 3PX -0.00699 -0.00152 -0.01556 0.00036 -0.00154 144 3PY 0.01044 0.00048 -0.00473 -0.00019 0.00098 145 3PZ -0.01217 -0.00251 -0.00747 -0.00345 0.00070 146 4XX -0.00318 -0.00096 0.00060 -0.00048 -0.00030 147 4YY 0.00453 -0.00141 -0.00244 0.00036 0.00017 148 4ZZ -0.00384 0.00127 0.00069 0.00020 0.00013 149 4XY 0.00385 -0.00344 -0.00209 0.00027 -0.00068 150 4XZ 0.00129 -0.00088 -0.00073 -0.00103 0.00014 151 4YZ 0.00316 0.00146 0.00113 -0.00104 0.00032 152 18 H 1S -0.01292 0.01165 0.00655 0.00095 0.00056 153 2S -0.01989 0.00714 0.00369 0.00367 0.00071 154 19 H 1S -0.00741 -0.00318 0.00171 -0.00398 -0.00004 155 2S -0.03248 -0.01765 -0.02153 -0.00782 0.00007 156 20 C 1S 0.00189 -0.00067 0.00134 -0.00011 -0.00013 157 2S -0.00051 0.00706 -0.00757 0.00030 0.00011 158 2PX 0.07591 0.03420 0.04267 0.00113 0.00059 159 2PY -0.02036 -0.00774 -0.00556 -0.00025 0.00050 160 2PZ 0.03075 0.00078 0.03349 0.00033 0.00066 161 3S -0.01275 0.00457 -0.00608 -0.00049 0.00001 162 3PX 0.06160 0.02748 0.04141 0.00153 0.00038 163 3PY -0.02307 -0.00884 -0.01251 -0.00067 0.00041 164 3PZ 0.03745 0.01221 0.02556 0.00093 0.00063 165 4XX 0.00020 0.00002 0.00055 0.00000 0.00001 166 4YY -0.00033 -0.00058 0.00011 0.00004 0.00000 167 4ZZ 0.00038 0.00038 0.00040 0.00008 0.00000 168 4XY 0.00036 -0.00070 0.00022 -0.00016 0.00008 169 4XZ 0.00042 -0.00030 0.00062 -0.00003 0.00004 170 4YZ 0.00092 0.00072 -0.00086 -0.00005 0.00004 171 21 H 1S -0.00074 -0.00440 0.00467 0.00001 0.00000 172 2S -0.00981 -0.01007 0.00203 -0.00017 -0.00016 173 22 C 1S 0.00400 0.00130 0.00698 -0.00018 -0.00028 174 2S -0.01677 -0.01076 -0.00544 0.00027 -0.00008 175 2PX 0.02126 -0.00802 0.00968 -0.00358 0.00191 176 2PY 0.00433 -0.00321 0.00233 -0.00038 -0.00029 177 2PZ 0.03557 0.01797 -0.00193 -0.00062 0.00143 178 3S 0.01602 -0.00059 0.00424 -0.00195 -0.00023 179 3PX 0.02943 0.00170 0.01378 -0.00153 0.00122 180 3PY -0.00378 -0.00269 -0.00185 -0.00032 0.00012 181 3PZ 0.01222 0.00331 0.00558 0.00083 0.00059 182 4XX 0.00006 0.00002 -0.00048 -0.00008 0.00000 183 4YY -0.00137 0.00025 -0.00115 0.00002 0.00008 184 4ZZ 0.00282 0.00118 0.00206 0.00034 -0.00010 185 4XY -0.00429 -0.00222 -0.00252 -0.00016 0.00001 186 4XZ 0.00236 0.00118 0.00257 0.00009 -0.00004 187 4YZ 0.00005 0.00040 -0.00141 0.00003 -0.00002 188 23 H 1S 0.01065 0.00765 -0.00457 0.00090 -0.00007 189 2S 0.01745 0.01161 -0.00410 0.00036 -0.00002 101 102 103 104 105 101 4ZZ 0.00177 102 4XY 0.00055 0.00157 103 4XZ -0.00048 0.00038 0.00160 104 4YZ 0.00001 -0.00056 -0.00007 0.00181 105 14 H 1S 0.00653 0.00636 -0.00347 -0.01357 0.21520 106 2S 0.00829 0.00605 -0.00261 -0.01032 0.15879 107 15 O 1S -0.00026 -0.00006 -0.00024 0.00030 -0.00278 108 2S 0.00066 -0.00010 0.00050 -0.00052 0.00881 109 2PX 0.00281 0.00582 0.00033 -0.00540 0.02786 110 2PY -0.00057 0.00302 0.00144 -0.00361 0.02051 111 2PZ 0.00317 -0.00414 -0.00090 0.00340 -0.00852 112 3S -0.00035 -0.00072 0.00292 -0.00092 0.00987 113 3PX 0.00275 0.00412 0.00013 -0.00252 0.02074 114 3PY -0.00072 0.00135 0.00126 -0.00268 0.01418 115 3PZ 0.00235 -0.00163 -0.00033 0.00308 -0.00666 116 4XX -0.00004 -0.00054 -0.00009 -0.00008 -0.00019 117 4YY -0.00003 0.00037 -0.00013 -0.00034 0.00068 118 4ZZ 0.00007 0.00010 0.00004 0.00041 -0.00002 119 4XY -0.00016 0.00032 0.00011 -0.00019 -0.00093 120 4XZ 0.00021 0.00001 -0.00009 -0.00009 0.00086 121 4YZ 0.00031 -0.00039 -0.00016 0.00003 0.00059 122 16 O 1S -0.00097 0.00464 0.00510 -0.00409 0.01282 123 2S 0.00249 -0.01067 -0.01172 0.00912 -0.02696 124 2PX 0.01419 -0.00428 -0.02014 0.01191 -0.01031 125 2PY -0.00644 -0.01296 0.01457 0.00956 -0.02102 126 2PZ 0.02470 0.01631 0.00369 -0.00094 0.05173 127 3S 0.00291 -0.01460 -0.00993 0.01441 -0.06264 128 3PX 0.01137 0.00040 -0.01191 0.00679 0.00205 129 3PY -0.00442 -0.00733 0.01033 0.00583 -0.01388 130 3PZ 0.01744 0.01081 0.00085 0.00074 0.03991 131 4XX 0.00019 -0.00022 -0.00006 -0.00013 0.00261 132 4YY 0.00032 0.00095 -0.00072 -0.00076 0.00083 133 4ZZ -0.00050 -0.00015 0.00023 -0.00016 0.00403 134 4XY -0.00031 0.00005 0.00079 -0.00052 0.00300 135 4XZ -0.00002 0.00023 0.00066 -0.00001 -0.00339 136 4YZ -0.00106 -0.00031 -0.00030 0.00010 -0.00331 137 17 C 1S -0.00054 -0.00137 -0.00006 0.00183 -0.00639 138 2S 0.00104 0.00303 -0.00064 -0.00441 0.01741 139 2PX 0.00254 0.00536 -0.00378 -0.00553 0.02343 140 2PY 0.00147 0.00806 0.00065 -0.00729 0.02379 141 2PZ -0.00161 -0.00246 0.00164 0.00157 -0.00860 142 3S 0.00089 0.00261 0.00115 -0.00505 0.02692 143 3PX 0.00326 0.00345 -0.00080 -0.00135 0.01892 144 3PY -0.00020 0.00334 0.00262 -0.00313 0.01609 145 3PZ 0.00179 -0.00018 -0.00036 0.00120 0.00220 146 4XX 0.00078 0.00046 -0.00076 0.00011 0.00020 147 4YY -0.00014 -0.00018 0.00039 -0.00003 -0.00004 148 4ZZ -0.00066 -0.00033 0.00018 0.00021 -0.00164 149 4XY 0.00052 0.00052 -0.00063 -0.00024 0.00037 150 4XZ 0.00080 0.00003 0.00019 0.00019 0.00196 151 4YZ 0.00065 0.00033 0.00007 0.00011 0.00187 152 18 H 1S -0.00334 -0.00176 0.00115 -0.00001 -0.00858 153 2S -0.00570 -0.00257 0.00164 0.00094 -0.01967 154 19 H 1S 0.00293 0.00085 -0.00021 0.00133 0.00313 155 2S 0.00712 0.00260 -0.00113 0.00375 0.00879 156 20 C 1S -0.00034 -0.00018 -0.00001 -0.00005 -0.00029 157 2S 0.00045 0.00063 0.00032 0.00062 -0.00085 158 2PX -0.00321 -0.00058 -0.00076 0.00019 -0.01484 159 2PY 0.00057 0.00023 -0.00005 0.00002 0.00166 160 2PZ -0.00214 -0.00092 -0.00076 -0.00070 -0.00655 161 3S 0.00086 -0.00108 -0.00212 -0.00061 0.01012 162 3PX -0.00296 -0.00143 -0.00055 -0.00043 -0.01271 163 3PY 0.00043 -0.00021 -0.00072 -0.00061 0.00799 164 3PZ -0.00203 -0.00012 0.00068 -0.00047 -0.00851 165 4XX -0.00004 0.00005 0.00002 0.00004 -0.00030 166 4YY -0.00003 0.00008 0.00006 0.00008 -0.00032 167 4ZZ -0.00006 -0.00022 -0.00007 -0.00019 0.00052 168 4XY -0.00003 -0.00030 -0.00031 -0.00030 0.00140 169 4XZ -0.00006 -0.00019 -0.00006 -0.00021 0.00033 170 4YZ -0.00001 -0.00002 -0.00011 -0.00004 0.00024 171 21 H 1S -0.00011 -0.00038 -0.00019 -0.00035 0.00118 172 2S 0.00002 -0.00087 -0.00061 -0.00054 0.00332 173 22 C 1S -0.00095 -0.00006 -0.00032 0.00007 -0.00106 174 2S 0.00042 -0.00027 0.00036 -0.00024 0.00299 175 2PX -0.00130 -0.00511 -0.00647 -0.00501 0.02302 176 2PY -0.00019 -0.00107 -0.00052 -0.00082 0.00373 177 2PZ -0.00161 -0.00181 -0.00298 -0.00230 0.00507 178 3S 0.00255 0.00138 -0.00008 -0.00013 0.00768 179 3PX -0.00177 -0.00405 -0.00438 -0.00455 0.01753 180 3PY -0.00034 -0.00137 -0.00116 -0.00172 0.01081 181 3PZ -0.00230 -0.00283 -0.00210 -0.00224 0.00197 182 4XX 0.00003 -0.00001 -0.00014 -0.00004 0.00049 183 4YY -0.00005 0.00003 -0.00004 -0.00001 0.00023 184 4ZZ -0.00020 -0.00001 0.00024 -0.00005 -0.00076 185 4XY 0.00016 -0.00002 -0.00010 -0.00005 0.00115 186 4XZ -0.00007 0.00001 0.00012 0.00003 -0.00097 187 4YZ 0.00003 -0.00002 0.00000 -0.00003 0.00013 188 23 H 1S -0.00043 0.00001 0.00038 -0.00016 -0.00200 189 2S 0.00006 0.00063 0.00071 0.00041 -0.00334 106 107 108 109 110 106 2S 0.14268 107 15 O 1S -0.00198 2.07560 108 2S 0.00721 -0.17779 0.50276 109 2PX 0.05728 0.00630 -0.01581 0.61884 110 2PY 0.04567 0.03950 -0.07440 0.05055 0.66748 111 2PZ 0.00747 -0.01437 0.02132 0.12994 -0.00077 112 3S -0.00125 -0.24625 0.59421 -0.01670 -0.21356 113 3PX 0.04134 0.00455 -0.01068 0.37181 0.05992 114 3PY 0.02957 0.02589 -0.04970 0.05845 0.42611 115 3PZ 0.00695 -0.01046 0.01601 0.13595 -0.00885 116 4XX 0.00011 -0.01620 -0.00078 0.00619 -0.00496 117 4YY 0.00221 -0.01261 -0.00843 0.00035 0.04116 118 4ZZ -0.00074 -0.01279 -0.00776 -0.00481 -0.00622 119 4XY 0.00029 0.00162 -0.00369 0.02722 0.00453 120 4XZ 0.00098 0.00342 -0.00731 -0.00818 -0.00121 121 4YZ 0.00076 -0.00108 0.00216 0.00348 -0.00807 122 16 O 1S 0.01367 0.00077 -0.00159 0.00910 0.01117 123 2S -0.02798 -0.00160 0.00451 -0.01815 -0.02889 124 2PX -0.00344 0.00909 -0.01810 0.00975 -0.00687 125 2PY -0.02845 -0.01107 0.02875 0.00624 0.13501 126 2PZ 0.09337 -0.00324 0.00368 0.01652 -0.00282 127 3S -0.05428 -0.01102 0.02307 -0.07516 -0.06202 128 3PX 0.01375 0.01175 -0.02558 0.02112 -0.00520 129 3PY -0.01633 -0.00492 0.01310 0.01210 0.10392 130 3PZ 0.06751 -0.00404 0.00713 0.01019 -0.00295 131 4XX 0.00060 0.00001 0.00008 0.00256 -0.00356 132 4YY 0.00213 0.00030 -0.00105 -0.00116 0.00262 133 4ZZ 0.00228 -0.00003 0.00048 0.00202 -0.00083 134 4XY 0.00280 -0.00098 0.00233 -0.00159 0.00243 135 4XZ -0.00105 -0.00040 0.00096 0.00034 0.00261 136 4YZ -0.00475 0.00057 -0.00139 -0.00058 -0.00311 137 17 C 1S -0.00658 0.00368 -0.00673 0.03478 -0.05978 138 2S 0.01840 -0.00203 0.00298 -0.07288 0.13188 139 2PX 0.03166 -0.02030 0.04957 -0.09731 0.18902 140 2PY 0.02352 0.02791 -0.06680 0.17459 -0.21882 141 2PZ -0.02294 0.00834 -0.01945 0.03773 -0.07161 142 3S 0.02443 0.02966 -0.07508 -0.04380 0.09844 143 3PX 0.02614 0.00240 -0.00616 -0.01047 0.06211 144 3PY 0.01278 0.00262 -0.00246 0.07771 -0.01531 145 3PZ 0.00086 -0.00275 0.00519 0.04698 -0.02628 146 4XX 0.00293 0.00097 -0.00182 0.02080 0.00947 147 4YY -0.00061 -0.00615 0.01477 -0.02140 -0.00469 148 4ZZ -0.00346 0.00361 -0.00774 0.00429 -0.00701 149 4XY 0.00060 0.00596 -0.01406 0.00418 -0.02767 150 4XZ 0.00320 0.00070 -0.00206 0.00789 -0.00892 151 4YZ 0.00228 -0.00172 0.00434 -0.01319 0.00907 152 18 H 1S -0.02123 0.01124 -0.02519 -0.00187 -0.01368 153 2S -0.03356 0.00726 -0.01495 -0.02331 -0.03325 154 19 H 1S 0.01194 0.00800 -0.02057 0.06409 -0.01328 155 2S 0.02672 0.00098 -0.00582 0.12404 -0.03536 156 20 C 1S -0.00054 -0.00018 0.00104 0.00083 0.00050 157 2S -0.00304 0.00200 -0.00344 -0.01220 0.00006 158 2PX -0.04225 -0.00628 0.01506 0.02512 0.00746 159 2PY 0.01062 -0.00032 0.00052 0.00150 -0.00376 160 2PZ -0.01141 -0.00266 0.00345 0.00974 0.00460 161 3S 0.01620 0.00144 -0.00727 0.02426 0.00469 162 3PX -0.03251 -0.00171 0.00513 0.00682 0.01133 163 3PY 0.01682 -0.00123 0.00117 0.00536 -0.00422 164 3PZ -0.01929 -0.00122 0.00436 -0.01212 0.00857 165 4XX -0.00043 0.00003 0.00029 0.00188 0.00080 166 4YY -0.00049 0.00029 -0.00040 -0.00083 0.00042 167 4ZZ 0.00085 0.00065 -0.00124 -0.00337 0.00049 168 4XY 0.00232 0.00019 -0.00052 -0.00193 -0.00016 169 4XZ 0.00082 0.00019 -0.00034 -0.00090 0.00034 170 4YZ -0.00017 0.00005 0.00006 -0.00023 -0.00009 171 21 H 1S 0.00391 0.00125 -0.00395 -0.00759 0.00145 172 2S 0.00939 -0.00068 -0.00069 0.00229 -0.00557 173 22 C 1S -0.00163 0.00016 0.00034 -0.00057 0.00037 174 2S 0.00797 -0.00030 -0.00047 -0.00055 -0.00151 175 2PX 0.03306 0.00063 -0.00310 -0.02022 0.00191 176 2PY 0.00330 -0.00009 -0.00067 -0.00039 0.00225 177 2PZ -0.00391 0.00054 -0.00022 -0.01198 -0.00090 178 3S 0.00728 -0.00134 0.00609 0.00658 0.00811 179 3PX 0.01979 0.00037 -0.00157 -0.02219 0.00149 180 3PY 0.01429 -0.00015 -0.00097 -0.00136 0.00123 181 3PZ 0.00013 0.00202 -0.00561 -0.01744 -0.00483 182 4XX 0.00043 0.00009 -0.00030 0.00010 -0.00007 183 4YY 0.00050 0.00005 -0.00013 -0.00070 -0.00037 184 4ZZ -0.00219 -0.00009 0.00026 -0.00046 0.00045 185 4XY 0.00293 0.00039 -0.00092 -0.00131 -0.00035 186 4XZ -0.00162 0.00001 0.00004 -0.00033 0.00013 187 4YZ -0.00011 0.00017 -0.00021 -0.00089 -0.00018 188 23 H 1S -0.00925 -0.00025 0.00108 -0.00041 -0.00026 189 2S -0.01301 -0.00053 0.00243 0.00163 0.00255 111 112 113 114 115 111 2PZ 0.74408 112 3S 0.11000 0.76003 113 3PX 0.15050 -0.01085 0.23519 114 3PY -0.00099 -0.13619 0.05216 0.27467 115 3PZ 0.49397 0.07532 0.12988 -0.00475 0.33575 116 4XX 0.00248 -0.00065 0.00332 -0.00253 0.00181 117 4YY 0.00090 -0.01793 0.00221 0.02590 -0.00025 118 4ZZ -0.01814 -0.01065 -0.00459 -0.00410 -0.01157 119 4XY 0.00502 -0.00345 0.01608 0.00401 0.00539 120 4XZ 0.00373 -0.00703 -0.00423 -0.00130 0.00178 121 4YZ 0.02968 0.00668 0.00430 -0.00501 0.01908 122 16 O 1S -0.00296 -0.01103 0.01177 0.00504 -0.00389 123 2S 0.00292 0.02313 -0.02563 -0.01331 0.00670 124 2PX 0.01622 -0.07509 0.02095 -0.01248 0.00979 125 2PY 0.00572 0.06125 0.00469 0.10394 0.00524 126 2PZ -0.01307 0.01962 0.01558 -0.00510 -0.01045 127 3S 0.01825 0.06990 -0.06311 -0.03254 0.01364 128 3PX 0.01559 -0.06303 0.02454 -0.00939 0.01255 129 3PY 0.00741 0.03199 0.00905 0.07743 0.00733 130 3PZ -0.01049 0.01453 0.01267 -0.00562 -0.00571 131 4XX -0.00264 0.00028 0.00109 -0.00175 -0.00183 132 4YY -0.00064 -0.00501 -0.00020 0.00047 -0.00093 133 4ZZ -0.00135 0.00032 0.00127 -0.00040 -0.00047 134 4XY -0.00156 0.00363 -0.00128 0.00199 -0.00105 135 4XZ 0.00269 0.00166 0.00072 0.00162 0.00200 136 4YZ 0.00082 -0.00170 -0.00028 -0.00232 0.00127 137 17 C 1S -0.01113 0.01964 0.01132 -0.03575 -0.00121 138 2S 0.01936 -0.05256 -0.02676 0.07754 0.00054 139 2PX 0.03694 0.03487 -0.05659 0.11141 0.00632 140 2PY -0.06524 -0.03391 0.07995 -0.13270 -0.02357 141 2PZ -0.01165 -0.01727 0.00662 -0.03913 -0.02185 142 3S 0.00589 -0.13447 -0.01222 0.05915 -0.00625 143 3PX 0.04552 -0.01244 -0.00019 0.03550 0.02775 144 3PY -0.02013 0.00743 0.04092 -0.00556 -0.00593 145 3PZ 0.04480 0.01202 0.02783 -0.01390 0.02735 146 4XX 0.01067 -0.00482 0.01458 0.00610 0.00915 147 4YY 0.00481 0.02273 -0.01341 -0.00356 0.00166 148 4ZZ -0.01692 -0.01115 0.00060 -0.00389 -0.01100 149 4XY -0.01276 -0.01304 -0.00047 -0.01768 -0.00747 150 4XZ 0.01778 0.00146 0.00695 -0.00536 0.01295 151 4YZ -0.02048 0.00105 -0.00876 0.00524 -0.01473 152 18 H 1S -0.06414 -0.05213 -0.01062 -0.00608 -0.05264 153 2S -0.11770 -0.03211 -0.03136 -0.01931 -0.08504 154 19 H 1S 0.05206 -0.03252 0.05655 -0.00825 0.04852 155 2S 0.13107 0.00364 0.09834 -0.02211 0.10787 156 20 C 1S -0.00065 -0.00243 -0.00040 -0.00027 -0.00025 157 2S -0.01545 -0.00893 -0.00864 -0.00156 -0.00919 158 2PX 0.01497 0.03712 0.01242 0.01614 0.00787 159 2PY 0.00526 -0.00012 0.00190 -0.00314 0.00426 160 2PZ -0.00134 0.02614 0.00810 0.01037 -0.00499 161 3S 0.05244 -0.00319 0.01968 0.00418 0.03429 162 3PX -0.00638 0.01892 0.00036 0.01591 -0.00841 163 3PY 0.01611 0.00218 0.00500 -0.00363 0.01061 164 3PZ -0.03960 0.00840 -0.01192 0.00904 -0.02906 165 4XX 0.00109 0.00056 0.00130 0.00066 0.00087 166 4YY -0.00148 -0.00030 -0.00044 0.00032 -0.00085 167 4ZZ -0.00444 -0.00233 -0.00263 0.00018 -0.00359 168 4XY -0.00240 -0.00045 -0.00153 0.00015 -0.00239 169 4XZ -0.00095 -0.00123 -0.00097 0.00014 -0.00103 170 4YZ 0.00003 -0.00083 -0.00049 -0.00010 0.00001 171 21 H 1S -0.01326 0.00083 -0.00341 0.00150 -0.01077 172 2S 0.00867 0.00938 0.00450 -0.00243 0.00365 173 22 C 1S -0.00114 -0.00276 -0.00095 -0.00086 -0.00119 174 2S 0.00062 0.00563 0.00148 0.00018 0.00042 175 2PX -0.03002 0.00734 -0.01803 0.01015 -0.03391 176 2PY -0.00317 0.00423 -0.00033 0.00314 -0.00474 177 2PZ -0.01589 -0.00698 -0.01422 0.00131 -0.01601 178 3S -0.01251 0.00485 0.00405 0.00692 -0.00712 179 3PX -0.03594 0.00132 -0.02096 0.00706 -0.03527 180 3PY 0.00085 0.00046 -0.00158 0.00162 -0.00254 181 3PZ -0.01184 -0.00451 -0.01491 -0.00087 -0.01425 182 4XX -0.00015 -0.00071 0.00000 -0.00010 -0.00017 183 4YY -0.00070 -0.00057 -0.00056 -0.00039 -0.00044 184 4ZZ -0.00152 0.00028 -0.00057 0.00038 -0.00104 185 4XY -0.00080 -0.00181 -0.00064 -0.00066 -0.00058 186 4XZ -0.00056 -0.00001 -0.00042 0.00008 -0.00045 187 4YZ -0.00064 -0.00141 -0.00083 -0.00041 -0.00036 188 23 H 1S -0.00078 -0.00187 -0.00184 -0.00053 -0.00008 189 2S -0.00441 -0.00262 -0.00094 0.00099 -0.00153 116 117 118 119 120 116 4XX 0.00074 117 4YY -0.00028 0.00294 118 4ZZ 0.00003 -0.00029 0.00113 119 4XY 0.00009 0.00013 -0.00025 0.00154 120 4XZ -0.00011 0.00005 -0.00011 -0.00034 0.00054 121 4YZ 0.00026 -0.00042 -0.00060 -0.00005 0.00011 122 16 O 1S 0.00000 0.00032 -0.00004 0.00099 -0.00038 123 2S 0.00010 -0.00111 0.00052 -0.00234 0.00091 124 2PX 0.00254 -0.00114 0.00204 0.00159 0.00038 125 2PY 0.00361 -0.00248 0.00076 0.00247 -0.00260 126 2PZ -0.00259 -0.00062 -0.00134 0.00155 0.00267 127 3S 0.00032 -0.00509 0.00034 -0.00365 0.00159 128 3PX 0.00107 -0.00019 0.00128 0.00127 0.00075 129 3PY 0.00178 -0.00036 0.00034 0.00201 -0.00161 130 3PZ -0.00182 -0.00086 -0.00049 0.00105 0.00199 131 4XX 0.00036 -0.00033 0.00001 -0.00004 -0.00003 132 4YY -0.00033 0.00088 -0.00023 -0.00017 0.00012 133 4ZZ 0.00001 -0.00023 0.00030 0.00004 -0.00017 134 4XY 0.00005 0.00016 -0.00003 -0.00043 -0.00001 135 4XZ -0.00003 0.00012 -0.00017 0.00000 0.00010 136 4YZ -0.00005 -0.00004 0.00001 0.00006 0.00001 137 17 C 1S -0.00076 -0.00705 0.00143 0.00478 0.00076 138 2S 0.00112 0.01318 -0.00264 -0.00903 -0.00072 139 2PX -0.00913 0.01501 -0.00325 -0.00123 0.00109 140 2PY 0.00064 -0.01028 0.00270 0.00631 -0.00030 141 2PZ -0.00076 -0.00515 0.00652 0.00340 -0.00696 142 3S 0.00255 0.00991 -0.00059 -0.00669 0.00033 143 3PX -0.00328 0.00458 -0.00081 0.00071 0.00116 144 3PY -0.00024 -0.00083 0.00005 0.00319 -0.00085 145 3PZ 0.00008 -0.00205 0.00097 0.00257 -0.00265 146 4XX 0.00018 0.00065 -0.00056 0.00093 0.00005 147 4YY -0.00054 -0.00034 -0.00034 -0.00082 0.00033 148 4ZZ 0.00023 -0.00055 0.00092 0.00020 -0.00049 149 4XY 0.00004 -0.00122 0.00066 0.00007 0.00025 150 4XZ 0.00057 -0.00073 -0.00049 0.00009 0.00035 151 4YZ -0.00022 0.00038 0.00035 -0.00047 0.00002 152 18 H 1S 0.00088 0.00011 0.00493 -0.00124 -0.00492 153 2S -0.00049 -0.00211 0.00622 -0.00061 -0.00411 154 19 H 1S 0.00535 -0.00055 -0.00300 -0.00115 0.00169 155 2S 0.00404 -0.00325 -0.00385 0.00317 0.00189 156 20 C 1S 0.00009 -0.00004 -0.00010 0.00000 -0.00013 157 2S -0.00040 0.00019 0.00126 -0.00056 0.00040 158 2PX -0.00075 0.00186 -0.00146 0.00052 -0.00270 159 2PY 0.00007 -0.00015 -0.00017 0.00025 0.00004 160 2PZ -0.00044 -0.00013 -0.00165 0.00062 -0.00093 161 3S 0.00094 0.00032 -0.00145 0.00085 0.00035 162 3PX -0.00019 0.00153 -0.00102 -0.00009 -0.00184 163 3PY 0.00039 -0.00035 -0.00062 0.00038 0.00028 164 3PZ -0.00045 0.00069 0.00021 -0.00045 -0.00075 165 4XX -0.00003 0.00004 -0.00004 0.00009 -0.00007 166 4YY -0.00010 0.00003 0.00006 -0.00003 -0.00002 167 4ZZ 0.00012 0.00001 0.00005 -0.00014 0.00007 168 4XY 0.00017 -0.00004 -0.00013 -0.00008 0.00003 169 4XZ 0.00017 0.00002 -0.00010 -0.00003 0.00004 170 4YZ 0.00007 0.00007 -0.00001 -0.00004 -0.00001 171 21 H 1S -0.00015 -0.00051 0.00003 -0.00014 0.00039 172 2S 0.00013 -0.00103 -0.00067 0.00027 0.00025 173 22 C 1S 0.00038 0.00014 0.00034 -0.00004 0.00003 174 2S -0.00035 -0.00033 -0.00018 0.00003 -0.00005 175 2PX 0.00242 0.00038 -0.00315 -0.00088 -0.00068 176 2PY 0.00026 -0.00026 -0.00066 -0.00005 -0.00016 177 2PZ 0.00145 0.00069 -0.00096 -0.00059 -0.00020 178 3S -0.00036 0.00059 0.00001 -0.00001 -0.00030 179 3PX 0.00214 0.00047 -0.00210 -0.00108 -0.00041 180 3PY 0.00080 -0.00010 -0.00086 -0.00004 0.00014 181 3PZ 0.00123 0.00002 -0.00108 -0.00069 -0.00002 182 4XX 0.00003 0.00001 -0.00001 0.00001 0.00001 183 4YY 0.00000 0.00000 0.00005 -0.00002 0.00001 184 4ZZ -0.00003 0.00003 0.00005 -0.00004 -0.00003 185 4XY 0.00005 -0.00008 0.00002 -0.00002 0.00012 186 4XZ 0.00001 0.00003 0.00001 -0.00001 0.00000 187 4YZ 0.00004 0.00002 0.00007 -0.00004 0.00004 188 23 H 1S 0.00000 0.00013 0.00017 -0.00011 -0.00005 189 2S -0.00020 0.00030 0.00058 -0.00005 -0.00015 121 122 123 124 125 121 4YZ 0.00157 122 16 O 1S -0.00056 2.07562 123 2S 0.00135 -0.17780 0.50272 124 2PX 0.00052 0.00641 -0.01620 0.61910 125 2PY -0.00317 -0.03918 0.07397 -0.05312 0.66748 126 2PZ -0.00085 -0.01510 0.02259 0.12852 -0.00030 127 3S 0.00159 -0.24644 0.59458 -0.01666 0.21095 128 3PX 0.00026 0.00455 -0.01079 0.37245 -0.06302 129 3PY -0.00232 -0.02563 0.04932 -0.06122 0.42578 130 3PZ -0.00132 -0.01087 0.01668 0.13428 0.00797 131 4XX 0.00004 -0.01618 -0.00082 0.00629 0.00492 132 4YY 0.00007 -0.01263 -0.00839 0.00036 -0.04086 133 4ZZ -0.00002 -0.01275 -0.00785 -0.00503 0.00632 134 4XY 0.00006 -0.00169 0.00385 -0.02708 0.00468 135 4XZ 0.00000 0.00338 -0.00723 -0.00868 0.00123 136 4YZ -0.00017 0.00109 -0.00218 -0.00335 -0.00856 137 17 C 1S -0.00118 0.00368 -0.00671 0.03462 0.06006 138 2S 0.00235 -0.00203 0.00296 -0.07255 -0.13234 139 2PX 0.00169 -0.02023 0.04940 -0.09646 -0.18929 140 2PY 0.00026 -0.02811 0.06730 -0.17484 -0.22236 141 2PZ 0.00665 0.00780 -0.01815 0.03418 0.06763 142 3S 0.00178 0.02963 -0.07498 -0.04338 -0.09855 143 3PX 0.00146 0.00242 -0.00618 -0.01022 -0.06287 144 3PY -0.00072 -0.00255 0.00235 -0.07821 -0.01657 145 3PZ 0.00414 -0.00279 0.00519 0.04534 0.02519 146 4XX 0.00001 0.00100 -0.00190 0.02083 -0.00948 147 4YY 0.00024 -0.00623 0.01498 -0.02186 0.00410 148 4ZZ -0.00041 0.00366 -0.00788 0.00471 0.00764 149 4XY -0.00011 -0.00596 0.01405 -0.00414 -0.02813 150 4XZ 0.00059 0.00058 -0.00179 0.00774 0.00804 151 4YZ -0.00095 0.00151 -0.00384 0.01259 0.00866 152 18 H 1S 0.00195 0.01123 -0.02516 -0.00183 0.01491 153 2S -0.00142 0.00724 -0.01488 -0.02329 0.03543 154 19 H 1S -0.00045 0.00801 -0.02064 0.06400 0.01246 155 2S 0.00200 0.00102 -0.00599 0.12369 0.03319 156 20 C 1S 0.00002 0.00019 0.00026 -0.00069 -0.00031 157 2S -0.00062 -0.00034 -0.00034 -0.00043 0.00146 158 2PX 0.00139 0.00065 -0.00318 -0.01983 -0.00143 159 2PY 0.00015 0.00005 0.00069 0.00074 0.00218 160 2PZ 0.00009 0.00057 -0.00045 -0.01181 0.00127 161 3S 0.00222 -0.00170 0.00683 0.01079 -0.00864 162 3PX 0.00056 0.00033 -0.00152 -0.02106 -0.00106 163 3PY 0.00049 0.00007 0.00111 0.00296 0.00085 164 3PZ -0.00129 0.00212 -0.00583 -0.01882 0.00527 165 4XX 0.00003 0.00009 -0.00030 0.00009 0.00008 166 4YY -0.00009 0.00005 -0.00011 -0.00068 0.00036 167 4ZZ -0.00013 -0.00009 0.00024 -0.00044 -0.00040 168 4XY -0.00005 -0.00039 0.00090 0.00126 -0.00036 169 4XZ 0.00001 0.00000 0.00007 -0.00035 -0.00013 170 4YZ 0.00002 -0.00016 0.00020 0.00085 -0.00017 171 21 H 1S -0.00061 -0.00024 0.00101 -0.00032 0.00032 172 2S 0.00033 -0.00049 0.00225 0.00204 -0.00241 173 22 C 1S -0.00007 -0.00013 0.00093 0.00065 -0.00047 174 2S -0.00007 0.00191 -0.00322 -0.01172 0.00008 175 2PX -0.00044 -0.00630 0.01483 0.02419 -0.00766 176 2PY -0.00010 0.00031 -0.00044 -0.00135 -0.00356 177 2PZ -0.00008 -0.00250 0.00290 0.00857 -0.00450 178 3S -0.00042 0.00145 -0.00731 0.02160 -0.00489 179 3PX -0.00050 -0.00171 0.00494 0.00541 -0.01086 180 3PY 0.00018 0.00110 -0.00094 -0.00331 -0.00441 181 3PZ 0.00005 -0.00120 0.00427 -0.01121 -0.00848 182 4XX -0.00001 0.00003 0.00028 0.00188 -0.00084 183 4YY -0.00004 0.00028 -0.00038 -0.00081 -0.00039 184 4ZZ -0.00001 0.00068 -0.00130 -0.00356 -0.00039 185 4XY -0.00008 -0.00020 0.00053 0.00192 -0.00019 186 4XZ 0.00002 0.00017 -0.00030 -0.00077 -0.00034 187 4YZ -0.00002 -0.00005 -0.00006 0.00022 -0.00009 188 23 H 1S 0.00007 0.00136 -0.00419 -0.00818 -0.00114 189 2S -0.00009 -0.00044 -0.00122 0.00040 0.00584 126 127 128 129 130 126 2PZ 0.74364 127 3S 0.11418 0.76145 128 3PX 0.14924 -0.01049 0.23598 129 3PY 0.00008 0.13422 -0.05486 0.27434 130 3PZ 0.49370 0.07773 0.12866 0.00395 0.33550 131 4XX 0.00261 -0.00072 0.00336 0.00249 0.00190 132 4YY 0.00102 -0.01774 0.00229 -0.02568 -0.00018 133 4ZZ -0.01906 -0.01094 -0.00482 0.00418 -0.01217 134 4XY -0.00500 0.00359 -0.01604 0.00414 -0.00534 135 4XZ 0.00377 -0.00698 -0.00453 0.00135 0.00179 136 4YZ -0.02938 -0.00684 -0.00414 -0.00532 -0.01890 137 17 C 1S -0.00997 0.01950 0.01119 0.03579 -0.00049 138 2S 0.01678 -0.05249 -0.02658 -0.07756 -0.00099 139 2PX 0.03305 0.03479 -0.05622 -0.11125 0.00409 140 2PY 0.06150 0.03424 -0.07978 -0.13437 0.02165 141 2PZ -0.00911 -0.01668 0.00495 0.03697 -0.02068 142 3S 0.00392 -0.13422 -0.01199 -0.05901 -0.00743 143 3PX 0.04409 -0.01251 -0.00009 -0.03593 0.02693 144 3PY 0.01947 -0.00789 -0.04119 -0.00614 0.00576 145 3PZ 0.04557 0.01182 0.02700 0.01331 0.02764 146 4XX 0.01041 -0.00488 0.01460 -0.00615 0.00898 147 4YY 0.00426 0.02281 -0.01372 0.00323 0.00126 148 4ZZ -0.01607 -0.01119 0.00088 0.00428 -0.01041 149 4XY 0.01188 0.01296 0.00047 -0.01796 0.00688 150 4XZ 0.01810 0.00171 0.00693 0.00477 0.01312 151 4YZ 0.02113 -0.00028 0.00844 0.00497 0.01510 152 18 H 1S -0.06379 -0.05213 -0.01063 0.00707 -0.05244 153 2S -0.11684 -0.03219 -0.03143 0.02086 -0.08447 154 19 H 1S 0.05224 -0.03249 0.05660 0.00747 0.04857 155 2S 0.13144 0.00350 0.09829 0.02034 0.10800 156 20 C 1S -0.00122 -0.00279 -0.00099 0.00090 -0.00127 157 2S 0.00079 0.00565 0.00150 -0.00021 0.00061 158 2PX -0.02931 0.00740 -0.01749 -0.00963 -0.03337 159 2PY 0.00344 -0.00353 0.00083 0.00299 0.00497 160 2PZ -0.01557 -0.00636 -0.01360 -0.00099 -0.01594 161 3S -0.01005 0.00715 0.00734 -0.00757 -0.00515 162 3PX -0.03477 0.00173 -0.01992 -0.00666 -0.03439 163 3PY -0.00004 0.00022 0.00293 0.00124 0.00316 164 3PZ -0.01257 -0.00495 -0.01581 0.00137 -0.01484 165 4XX -0.00015 -0.00071 0.00000 0.00011 -0.00016 166 4YY -0.00069 -0.00058 -0.00055 0.00039 -0.00042 167 4ZZ -0.00151 0.00027 -0.00053 -0.00035 -0.00104 168 4XY 0.00071 0.00187 0.00062 -0.00067 0.00048 169 4XZ -0.00060 0.00003 -0.00046 -0.00009 -0.00049 170 4YZ 0.00063 0.00138 0.00080 -0.00040 0.00035 171 21 H 1S -0.00076 -0.00172 -0.00165 0.00057 -0.00014 172 2S -0.00427 -0.00254 -0.00045 -0.00093 -0.00154 173 22 C 1S -0.00062 -0.00264 -0.00049 0.00030 -0.00023 174 2S -0.01549 -0.00836 -0.00832 0.00156 -0.00914 175 2PX 0.01315 0.03850 0.01221 -0.01637 0.00588 176 2PY -0.00536 -0.00013 -0.00191 -0.00289 -0.00426 177 2PZ -0.00208 0.02592 0.00757 -0.01019 -0.00598 178 3S 0.04958 -0.00281 0.01762 -0.00432 0.03218 179 3PX -0.00852 0.01977 -0.00042 -0.01558 -0.01043 180 3PY -0.01471 -0.00128 -0.00339 -0.00385 -0.00964 181 3PZ -0.03912 0.00873 -0.01105 -0.00902 -0.02892 182 4XX 0.00109 0.00055 0.00131 -0.00068 0.00085 183 4YY -0.00147 -0.00026 -0.00043 -0.00031 -0.00085 184 4ZZ -0.00457 -0.00250 -0.00278 -0.00009 -0.00368 185 4XY 0.00235 0.00050 0.00152 0.00011 0.00235 186 4XZ -0.00084 -0.00119 -0.00089 -0.00014 -0.00092 187 4YZ 0.00001 0.00078 0.00047 -0.00009 0.00002 188 23 H 1S -0.01343 0.00012 -0.00387 -0.00119 -0.01092 189 2S 0.00787 0.00772 0.00303 0.00283 0.00300 131 132 133 134 135 131 4XX 0.00074 132 4YY -0.00027 0.00291 133 4ZZ 0.00002 -0.00029 0.00117 134 4XY -0.00009 -0.00013 0.00025 0.00153 135 4XZ -0.00011 0.00005 -0.00011 0.00036 0.00055 136 4YZ -0.00027 0.00044 0.00062 -0.00006 -0.00011 137 17 C 1S -0.00073 -0.00709 0.00148 -0.00477 0.00067 138 2S 0.00108 0.01329 -0.00272 0.00901 -0.00054 139 2PX -0.00914 0.01505 -0.00329 0.00112 0.00112 140 2PY -0.00068 0.01042 -0.00281 0.00633 0.00055 141 2PZ -0.00076 -0.00474 0.00625 -0.00313 -0.00701 142 3S 0.00252 0.01000 -0.00064 0.00665 0.00046 143 3PX -0.00327 0.00462 -0.00086 -0.00076 0.00116 144 3PY 0.00022 0.00092 -0.00007 0.00321 0.00096 145 3PZ 0.00009 -0.00191 0.00082 -0.00245 -0.00267 146 4XX 0.00019 0.00064 -0.00056 -0.00093 0.00003 147 4YY -0.00055 -0.00031 -0.00034 0.00083 0.00034 148 4ZZ 0.00024 -0.00057 0.00092 -0.00020 -0.00049 149 4XY -0.00005 0.00124 -0.00065 0.00007 -0.00026 150 4XZ 0.00057 -0.00069 -0.00052 -0.00009 0.00034 151 4YZ 0.00021 -0.00035 -0.00042 -0.00045 0.00000 152 18 H 1S 0.00087 0.00020 0.00487 0.00133 -0.00490 153 2S -0.00049 -0.00213 0.00628 0.00070 -0.00411 154 19 H 1S 0.00535 -0.00058 -0.00300 0.00114 0.00172 155 2S 0.00407 -0.00324 -0.00394 -0.00318 0.00185 156 20 C 1S 0.00038 0.00013 0.00034 0.00004 0.00003 157 2S -0.00036 -0.00031 -0.00015 -0.00003 -0.00005 158 2PX 0.00241 0.00036 -0.00314 0.00089 -0.00066 159 2PY -0.00030 0.00022 0.00063 -0.00009 0.00015 160 2PZ 0.00142 0.00062 -0.00100 0.00057 -0.00021 161 3S -0.00053 0.00062 -0.00003 -0.00015 -0.00038 162 3PX 0.00212 0.00047 -0.00210 0.00106 -0.00041 163 3PY -0.00085 0.00010 0.00082 -0.00012 -0.00017 164 3PZ 0.00126 -0.00001 -0.00105 0.00074 0.00001 165 4XX 0.00003 0.00001 -0.00001 -0.00001 0.00000 166 4YY 0.00000 0.00000 0.00005 0.00002 0.00001 167 4ZZ -0.00003 0.00003 0.00004 0.00004 -0.00003 168 4XY -0.00005 0.00008 -0.00003 -0.00002 -0.00012 169 4XZ 0.00001 0.00004 0.00001 0.00001 -0.00001 170 4YZ -0.00004 -0.00002 -0.00007 -0.00004 -0.00004 171 21 H 1S -0.00001 0.00012 0.00016 0.00010 -0.00005 172 2S -0.00021 0.00028 0.00055 0.00002 -0.00015 173 22 C 1S 0.00011 -0.00004 -0.00011 0.00001 -0.00013 174 2S -0.00044 0.00018 0.00126 0.00053 0.00041 175 2PX -0.00077 0.00181 -0.00163 -0.00048 -0.00268 176 2PY -0.00009 0.00016 0.00021 0.00025 -0.00002 177 2PZ -0.00036 -0.00020 -0.00171 -0.00057 -0.00095 178 3S 0.00089 0.00035 -0.00145 -0.00075 0.00039 179 3PX -0.00021 0.00147 -0.00110 0.00014 -0.00181 180 3PY -0.00045 0.00035 0.00058 0.00029 -0.00030 181 3PZ -0.00043 0.00065 0.00018 0.00042 -0.00078 182 4XX -0.00003 0.00004 -0.00004 -0.00009 -0.00007 183 4YY -0.00010 0.00003 0.00006 0.00003 -0.00002 184 4ZZ 0.00013 0.00001 0.00006 0.00015 0.00008 185 4XY -0.00017 0.00003 0.00013 -0.00008 -0.00003 186 4XZ 0.00016 0.00002 -0.00009 0.00003 0.00004 187 4YZ -0.00007 -0.00007 0.00001 -0.00004 0.00001 188 23 H 1S -0.00009 -0.00054 0.00006 0.00016 0.00039 189 2S 0.00025 -0.00104 -0.00065 -0.00019 0.00028 136 137 138 139 140 136 4YZ 0.00156 137 17 C 1S 0.00099 2.04988 138 2S -0.00200 -0.06565 0.34507 139 2PX -0.00129 0.01935 -0.03140 0.38992 140 2PY 0.00067 0.00011 -0.00022 -0.00018 0.29481 141 2PZ -0.00691 -0.00691 0.01463 0.02503 -0.00154 142 3S -0.00155 -0.14933 0.26009 -0.06911 -0.00029 143 3PX -0.00133 0.01725 -0.03492 0.12989 0.00011 144 3PY -0.00063 0.00004 -0.00010 -0.00002 0.07136 145 3PZ -0.00422 -0.00162 0.00465 0.00310 -0.00083 146 4XX 0.00002 -0.01697 -0.00181 -0.00430 0.00008 147 4YY -0.00020 -0.01319 -0.01006 0.02120 0.00034 148 4ZZ 0.00034 -0.01826 0.00097 -0.01464 -0.00041 149 4XY -0.00006 0.00000 0.00001 0.00009 0.02764 150 4XZ -0.00059 -0.00017 -0.00018 -0.01750 0.00041 151 4YZ -0.00096 0.00006 -0.00012 0.00039 -0.01018 152 18 H 1S -0.00207 -0.06049 0.12724 -0.04994 -0.00273 153 2S 0.00121 -0.01310 0.03867 -0.02096 -0.00222 154 19 H 1S 0.00052 -0.05869 0.11885 -0.21466 0.00143 155 2S -0.00196 -0.00827 0.02349 -0.17721 0.00147 156 20 C 1S 0.00007 -0.00020 0.00044 0.00017 0.00004 157 2S 0.00006 0.00037 -0.00092 0.00093 -0.00115 158 2PX 0.00051 -0.00253 0.01068 0.00181 0.01264 159 2PY -0.00010 0.00077 -0.00237 -0.00190 -0.00066 160 2PZ 0.00013 -0.00125 0.00334 -0.00055 0.00535 161 3S 0.00039 0.00098 0.00115 0.00156 -0.00132 162 3PX 0.00053 -0.00298 0.01038 0.00518 0.00689 163 3PY 0.00017 0.00022 -0.00179 -0.00248 -0.00238 164 3PZ 0.00000 -0.00183 0.00463 0.00317 0.00277 165 4XX 0.00001 -0.00009 0.00005 0.00001 0.00018 166 4YY 0.00004 0.00001 -0.00008 0.00021 -0.00004 167 4ZZ 0.00001 -0.00011 0.00035 0.00072 -0.00070 168 4XY -0.00008 -0.00007 0.00038 0.00012 -0.00084 169 4XZ -0.00002 -0.00017 0.00037 0.00032 -0.00050 170 4YZ -0.00002 -0.00003 0.00013 -0.00001 -0.00029 171 21 H 1S -0.00006 -0.00009 -0.00052 0.00039 -0.00112 172 2S 0.00011 0.00010 -0.00115 -0.00148 0.00000 173 22 C 1S -0.00002 -0.00021 0.00047 0.00021 0.00009 174 2S 0.00060 0.00038 -0.00096 0.00084 0.00090 175 2PX -0.00127 -0.00256 0.01068 0.00181 -0.01265 176 2PY 0.00016 -0.00071 0.00224 0.00176 -0.00063 177 2PZ -0.00006 -0.00134 0.00356 -0.00030 -0.00489 178 3S -0.00212 0.00094 0.00132 0.00209 0.00056 179 3PX -0.00045 -0.00300 0.01037 0.00523 -0.00700 180 3PY 0.00047 -0.00022 0.00166 0.00210 -0.00241 181 3PZ 0.00128 -0.00184 0.00470 0.00311 -0.00241 182 4XX -0.00002 -0.00009 0.00006 0.00002 -0.00017 183 4YY 0.00009 0.00002 -0.00008 0.00020 0.00002 184 4ZZ 0.00013 -0.00012 0.00037 0.00076 0.00075 185 4XY -0.00005 0.00007 -0.00038 -0.00013 -0.00086 186 4XZ 0.00000 -0.00017 0.00036 0.00030 0.00045 187 4YZ 0.00001 0.00003 -0.00012 0.00002 -0.00029 188 23 H 1S 0.00059 -0.00013 -0.00040 0.00054 0.00138 189 2S -0.00034 0.00004 -0.00097 -0.00114 0.00045 141 142 143 144 145 141 2PZ 0.46069 142 3S 0.01021 0.23161 143 3PX -0.00345 -0.03444 0.05548 144 3PY -0.00087 -0.00010 0.00005 0.02780 145 3PZ 0.16101 -0.00045 0.00131 -0.00032 0.06558 146 4XX -0.01505 -0.00001 0.00077 0.00003 -0.00236 147 4YY -0.00791 -0.01252 0.00632 0.00008 -0.00359 148 4ZZ 0.02223 0.00473 -0.00611 -0.00010 0.00601 149 4XY 0.00041 -0.00001 0.00001 0.00410 0.00007 150 4XZ -0.01528 0.00242 -0.00337 0.00008 -0.00255 151 4YZ -0.00044 -0.00019 0.00013 -0.00225 -0.00013 152 18 H 1S 0.27567 0.10521 -0.03672 -0.00093 0.08870 153 2S 0.22750 0.03140 -0.02456 -0.00070 0.06329 154 19 H 1S -0.17355 0.11410 -0.06668 0.00046 -0.04679 155 2S -0.16448 0.03153 -0.03660 0.00044 -0.02963 156 20 C 1S 0.00045 0.00162 0.00072 0.00020 0.00019 157 2S 0.00035 -0.00173 -0.00002 -0.00018 -0.00051 158 2PX 0.00416 0.00644 -0.02481 0.01593 0.00460 159 2PY 0.00070 -0.00153 0.00070 -0.00150 0.00238 160 2PZ -0.00092 0.00505 -0.00670 0.00391 -0.00283 161 3S -0.00758 0.00097 0.00026 -0.00383 0.00220 162 3PX 0.00283 0.00919 -0.01777 0.00999 -0.00028 163 3PY 0.00152 -0.00208 0.00131 -0.00365 0.00225 164 3PZ 0.00228 0.00539 -0.00721 0.00558 -0.00407 165 4XX 0.00038 0.00003 0.00006 0.00030 0.00024 166 4YY 0.00023 -0.00007 -0.00004 0.00018 -0.00008 167 4ZZ -0.00004 0.00058 0.00012 -0.00073 -0.00070 168 4XY 0.00003 0.00040 -0.00076 -0.00113 -0.00008 169 4XZ -0.00003 0.00061 -0.00012 -0.00054 -0.00022 170 4YZ 0.00005 0.00009 -0.00036 -0.00010 0.00013 171 21 H 1S -0.00162 0.00051 0.00263 -0.00253 -0.00341 172 2S 0.00141 -0.00080 0.00252 -0.00352 -0.00043 173 22 C 1S 0.00042 0.00166 0.00077 -0.00004 0.00020 174 2S 0.00041 -0.00181 -0.00018 -0.00013 -0.00050 175 2PX 0.00399 0.00674 -0.02504 -0.01592 0.00412 176 2PY -0.00059 0.00130 -0.00078 -0.00150 -0.00231 177 2PZ -0.00115 0.00548 -0.00657 -0.00320 -0.00304 178 3S -0.00719 0.00143 0.00043 0.00289 0.00163 179 3PX 0.00290 0.00947 -0.01789 -0.01001 -0.00073 180 3PY -0.00170 0.00183 -0.00148 -0.00372 -0.00208 181 3PZ 0.00196 0.00546 -0.00735 -0.00518 -0.00400 182 4XX 0.00037 0.00004 0.00007 -0.00029 0.00023 183 4YY 0.00025 -0.00007 -0.00006 -0.00021 -0.00007 184 4ZZ -0.00003 0.00062 0.00014 0.00080 -0.00071 185 4XY -0.00004 -0.00039 0.00075 -0.00115 0.00005 186 4XZ -0.00001 0.00057 -0.00011 0.00048 -0.00020 187 4YZ -0.00006 -0.00007 0.00037 -0.00011 -0.00012 188 23 H 1S -0.00166 0.00069 0.00273 0.00290 -0.00340 189 2S 0.00138 -0.00047 0.00278 0.00416 -0.00051 146 147 148 149 150 146 4XX 0.00243 147 4YY -0.00114 0.00355 148 4ZZ -0.00063 -0.00161 0.00259 149 4XY -0.00001 0.00002 0.00000 0.00351 150 4XZ 0.00114 -0.00048 -0.00084 0.00001 0.00234 151 4YZ 0.00000 0.00002 -0.00002 -0.00055 0.00000 152 18 H 1S -0.01010 -0.01174 0.01845 0.00010 -0.00997 153 2S -0.01137 -0.00629 0.01677 0.00012 -0.01244 154 19 H 1S 0.01189 -0.01320 -0.00198 -0.00014 0.01732 155 2S 0.01582 -0.01024 -0.00599 -0.00016 0.01984 156 20 C 1S -0.00009 0.00010 -0.00004 0.00002 -0.00018 157 2S -0.00045 0.00015 0.00046 0.00012 -0.00038 158 2PX -0.00040 -0.00023 -0.00044 -0.00120 -0.00039 159 2PY 0.00026 0.00000 0.00005 0.00009 0.00027 160 2PZ -0.00038 -0.00018 -0.00036 -0.00048 -0.00030 161 3S 0.00176 -0.00064 -0.00120 -0.00033 0.00151 162 3PX -0.00116 0.00007 0.00001 -0.00088 -0.00110 163 3PY 0.00043 -0.00014 -0.00005 -0.00004 0.00038 164 3PZ -0.00161 0.00037 0.00058 -0.00037 -0.00150 165 4XX 0.00007 -0.00007 0.00000 -0.00005 0.00000 166 4YY -0.00006 0.00001 0.00006 -0.00001 -0.00009 167 4ZZ -0.00018 0.00006 0.00007 0.00007 -0.00016 168 4XY -0.00006 0.00001 -0.00001 0.00009 -0.00003 169 4XZ -0.00006 0.00003 0.00000 0.00002 -0.00003 170 4YZ 0.00002 -0.00001 -0.00002 0.00002 0.00001 171 21 H 1S -0.00035 0.00003 0.00010 0.00015 -0.00029 172 2S 0.00004 -0.00010 -0.00007 0.00014 0.00017 173 22 C 1S -0.00009 0.00011 -0.00005 -0.00002 -0.00017 174 2S -0.00043 0.00015 0.00045 -0.00010 -0.00039 175 2PX -0.00047 -0.00026 -0.00035 0.00119 -0.00044 176 2PY -0.00023 -0.00001 -0.00003 0.00009 -0.00027 177 2PZ -0.00044 -0.00016 -0.00035 0.00046 -0.00031 178 3S 0.00146 -0.00052 -0.00107 0.00033 0.00136 179 3PX -0.00128 0.00009 0.00009 0.00088 -0.00118 180 3PY -0.00026 0.00004 0.00001 -0.00002 -0.00032 181 3PZ -0.00152 0.00034 0.00052 0.00040 -0.00144 182 4XX 0.00007 -0.00007 0.00000 0.00005 0.00000 183 4YY -0.00006 0.00001 0.00006 0.00001 -0.00009 184 4ZZ -0.00019 0.00007 0.00007 -0.00007 -0.00017 185 4XY 0.00005 -0.00002 0.00002 0.00009 0.00003 186 4XZ -0.00005 0.00003 0.00000 -0.00002 -0.00003 187 4YZ -0.00002 0.00001 0.00002 0.00002 -0.00001 188 23 H 1S -0.00038 0.00007 0.00008 -0.00016 -0.00029 189 2S -0.00006 -0.00004 -0.00006 -0.00019 0.00015 151 152 153 154 155 151 4YZ 0.00183 152 18 H 1S -0.00034 0.22384 153 2S -0.00026 0.16997 0.15551 154 19 H 1S -0.00011 -0.04284 -0.07926 0.22403 155 2S -0.00004 -0.08780 -0.11045 0.19018 0.21159 156 20 C 1S 0.00001 0.00052 0.00033 -0.00043 -0.00066 157 2S 0.00058 0.00104 0.00286 -0.00224 -0.00287 158 2PX -0.00209 0.00423 -0.01420 -0.00269 -0.02215 159 2PY -0.00004 -0.00071 -0.00265 0.00131 0.00484 160 2PZ -0.00073 0.00111 -0.00050 -0.00110 -0.01093 161 3S -0.00191 -0.00822 -0.01428 0.00764 0.01164 162 3PX -0.00132 0.00582 -0.00487 -0.00671 -0.02676 163 3PY -0.00036 -0.00045 -0.00134 0.00226 0.00653 164 3PZ 0.00070 0.00612 0.00677 -0.00786 -0.02131 165 4XX -0.00005 0.00017 0.00002 0.00008 0.00026 166 4YY 0.00002 0.00029 0.00042 -0.00041 -0.00059 167 4ZZ 0.00013 0.00050 0.00116 -0.00096 -0.00193 168 4XY 0.00014 0.00017 -0.00022 -0.00026 -0.00115 169 4XZ 0.00004 0.00019 0.00015 -0.00032 -0.00092 170 4YZ 0.00003 -0.00001 -0.00040 0.00007 -0.00011 171 21 H 1S 0.00047 0.00015 0.00524 -0.00121 -0.00250 172 2S -0.00038 0.00037 0.00325 0.00048 0.00211 173 22 C 1S -0.00001 0.00049 0.00028 -0.00043 -0.00064 174 2S -0.00058 0.00109 0.00289 -0.00221 -0.00290 175 2PX 0.00204 0.00451 -0.01377 -0.00303 -0.02308 176 2PY -0.00005 0.00076 0.00269 -0.00126 -0.00465 177 2PZ 0.00071 0.00112 -0.00042 -0.00132 -0.01149 178 3S 0.00195 -0.00758 -0.01284 0.00636 0.00939 179 3PX 0.00129 0.00621 -0.00414 -0.00726 -0.02793 180 3PY -0.00033 0.00021 0.00079 -0.00162 -0.00548 181 3PZ -0.00072 0.00585 0.00614 -0.00745 -0.02081 182 4XX 0.00005 0.00017 0.00001 0.00009 0.00026 183 4YY -0.00002 0.00029 0.00042 -0.00041 -0.00060 184 4ZZ -0.00013 0.00050 0.00119 -0.00099 -0.00199 185 4XY 0.00015 -0.00016 0.00025 0.00024 0.00111 186 4XZ -0.00003 0.00018 0.00014 -0.00029 -0.00085 187 4YZ 0.00003 0.00001 0.00038 -0.00007 0.00010 188 23 H 1S -0.00048 0.00011 0.00520 -0.00129 -0.00266 189 2S 0.00034 0.00042 0.00346 0.00012 0.00153 156 157 158 159 160 156 20 C 1S 2.05275 157 2S -0.06230 0.32682 158 2PX -0.00125 0.00190 0.35652 159 2PY 0.00083 0.00071 -0.00100 0.41409 160 2PZ -0.00153 -0.00484 -0.02973 -0.00020 0.40182 161 3S -0.15853 0.24281 0.00428 0.01337 0.04150 162 3PX 0.00110 -0.00323 0.22089 -0.01098 0.03593 163 3PY 0.00239 -0.01316 -0.02567 0.13705 -0.00105 164 3PZ -0.00961 0.02986 0.04151 -0.01208 0.12355 165 4XX -0.01240 -0.01302 0.00074 -0.00288 0.00339 166 4YY -0.01696 -0.00305 0.00104 0.01315 0.00446 167 4ZZ -0.01780 -0.00164 -0.00635 -0.01342 -0.00210 168 4XY -0.00137 0.00259 -0.00127 -0.00171 0.00732 169 4XZ 0.00351 -0.00745 -0.00306 0.00746 -0.00663 170 4YZ 0.00177 -0.00286 0.00875 0.00118 -0.01431 171 21 H 1S -0.06059 0.11474 -0.10691 -0.13363 0.20278 172 2S -0.01340 0.02704 -0.10152 -0.11803 0.18571 173 22 C 1S 0.01657 -0.03196 -0.00502 -0.07762 -0.00313 174 2S -0.03205 0.05430 0.00480 0.16014 0.01042 175 2PX -0.00559 0.00530 0.15912 0.00506 0.06116 176 2PY 0.07760 -0.16002 -0.00449 -0.31355 -0.01048 177 2PZ -0.00168 0.00733 0.06122 0.00387 0.03634 178 3S -0.00492 0.03212 0.05812 0.12729 -0.01408 179 3PX -0.00339 0.00512 0.10861 -0.00878 0.03482 180 3PY 0.01345 -0.04181 -0.00950 -0.09185 -0.00602 181 3PZ 0.00222 -0.01044 0.02202 0.01926 0.04563 182 4XX 0.00227 -0.00499 -0.00122 -0.00698 0.00055 183 4YY -0.00698 0.01225 -0.00008 0.00599 -0.00081 184 4ZZ 0.00298 -0.00672 -0.00026 -0.01109 -0.00063 185 4XY -0.00004 0.00010 -0.01339 0.00057 0.00041 186 4XZ -0.00043 0.00120 0.00044 0.00205 0.00048 187 4YZ 0.00015 0.00045 -0.00004 0.00154 -0.01308 188 23 H 1S 0.01234 -0.02569 0.00317 -0.04287 -0.02305 189 2S 0.01431 -0.02515 0.01679 -0.08374 -0.04893 161 162 163 164 165 161 3S 0.23916 162 3PX 0.00737 0.14816 163 3PY 0.00876 -0.02080 0.05834 164 3PZ 0.02092 0.04299 -0.01302 0.05869 165 4XX -0.00865 0.00094 -0.00049 0.00027 0.00073 166 4YY -0.00268 0.00111 0.00308 0.00093 0.00012 167 4ZZ 0.00004 -0.00357 -0.00283 -0.00121 0.00023 168 4XY 0.00529 0.00043 0.00046 0.00148 -0.00013 169 4XZ -0.00595 -0.00253 0.00271 -0.00327 0.00011 170 4YZ -0.00534 0.00325 0.00002 -0.00264 -0.00002 171 21 H 1S 0.11109 -0.03718 -0.03995 0.06094 -0.00207 172 2S 0.05124 -0.03527 -0.02728 0.04187 0.00082 173 22 C 1S -0.00562 -0.00331 -0.01391 0.00254 0.00227 174 2S 0.03422 0.00543 0.04298 -0.01085 -0.00500 175 2PX 0.06715 0.11067 0.01206 0.01848 -0.00128 176 2PY -0.12711 0.00916 -0.09283 -0.02197 0.00694 177 2PZ -0.01710 0.03517 0.00374 0.04600 0.00072 178 3S -0.00852 0.03206 0.01828 0.00013 -0.00351 179 3PX 0.03700 0.07526 0.00309 0.01855 -0.00081 180 3PY -0.01600 -0.00163 -0.01732 -0.01337 0.00161 181 3PZ 0.00166 0.02101 0.01260 0.01829 0.00019 182 4XX -0.00361 -0.00081 -0.00166 0.00022 0.00030 183 4YY 0.01164 -0.00057 0.00279 0.00090 -0.00045 184 4ZZ -0.00875 0.00038 -0.00492 0.00041 0.00033 185 4XY 0.00173 -0.00848 0.00181 -0.00256 -0.00007 186 4XZ 0.00210 0.00072 0.00053 0.00079 0.00001 187 4YZ -0.00413 -0.00215 -0.00006 -0.00298 -0.00011 188 23 H 1S -0.06119 -0.00162 -0.02022 0.00263 0.00083 189 2S -0.06711 0.00203 -0.03644 0.00235 0.00151 166 167 168 169 170 166 4YY 0.00114 167 4ZZ -0.00054 0.00108 168 4XY -0.00010 0.00020 0.00076 169 4XZ 0.00028 -0.00016 -0.00002 0.00070 170 4YZ 0.00006 -0.00014 -0.00033 0.00039 0.00135 171 21 H 1S -0.00371 0.00542 0.00602 -0.00802 -0.01209 172 2S -0.00320 0.00570 0.00557 -0.00594 -0.01161 173 22 C 1S -0.00698 0.00295 0.00005 -0.00043 -0.00035 174 2S 0.01227 -0.00672 -0.00009 0.00120 -0.00007 175 2PX 0.00003 -0.00044 0.01321 0.00065 -0.00005 176 2PY -0.00596 0.01109 0.00066 -0.00203 0.00091 177 2PZ -0.00138 -0.00007 -0.00055 0.00036 0.01309 178 3S 0.01134 -0.00828 -0.00176 0.00212 0.00450 179 3PX -0.00057 0.00036 0.00833 0.00088 0.00208 180 3PY -0.00268 0.00473 0.00189 -0.00046 -0.00023 181 3PZ 0.00081 0.00041 0.00255 0.00078 0.00298 182 4XX -0.00045 0.00033 0.00007 0.00002 0.00010 183 4YY -0.00015 -0.00011 0.00015 -0.00013 0.00005 184 4ZZ -0.00011 0.00033 -0.00031 -0.00007 -0.00002 185 4XY -0.00012 0.00028 0.00034 0.00018 -0.00044 186 4XZ -0.00012 -0.00007 -0.00015 0.00000 -0.00027 187 4YZ -0.00008 0.00004 -0.00044 0.00025 0.00091 188 23 H 1S 0.00172 0.00100 -0.00416 -0.00004 0.00777 189 2S -0.00169 0.00215 -0.00459 -0.00057 0.00802 171 172 173 174 175 171 21 H 1S 0.21711 172 2S 0.17453 0.16305 173 22 C 1S 0.01223 0.01396 2.05289 174 2S -0.02554 -0.02449 -0.06278 0.32826 175 2PX 0.00293 0.01716 -0.00159 0.00324 0.35412 176 2PY 0.04323 0.08441 -0.00111 0.00000 0.00191 177 2PZ -0.02250 -0.04786 -0.00113 -0.00593 -0.03278 178 3S -0.05912 -0.06405 -0.15808 0.24176 0.00097 179 3PX -0.00162 0.00231 0.00112 -0.00294 0.21784 180 3PY 0.01945 0.03522 -0.00258 0.01362 0.02836 181 3PZ 0.00215 0.00193 -0.01004 0.03112 0.04319 182 4XX 0.00079 0.00142 -0.01240 -0.01306 0.00067 183 4YY 0.00202 -0.00135 -0.01691 -0.00313 0.00152 184 4ZZ 0.00074 0.00185 -0.01782 -0.00168 -0.00694 185 4XY 0.00409 0.00441 0.00131 -0.00248 0.00124 186 4XZ 0.00009 -0.00038 0.00350 -0.00741 -0.00268 187 4YZ -0.00774 -0.00809 -0.00173 0.00276 -0.00871 188 23 H 1S -0.02199 -0.02496 -0.06035 0.11403 -0.10854 189 2S -0.02484 -0.03121 -0.01274 0.02527 -0.10597 176 177 178 179 180 176 2PY 0.41477 177 2PZ -0.00060 0.40218 178 3S -0.01293 0.04261 0.23412 179 3PX 0.01058 0.03441 0.00527 0.14538 180 3PY 0.13585 0.00110 -0.00736 0.02207 0.05775 181 3PZ 0.01227 0.12210 0.02286 0.04393 0.01340 182 4XX 0.00281 0.00356 -0.00850 0.00095 0.00045 183 4YY -0.01327 0.00360 -0.00292 0.00132 -0.00297 184 4ZZ 0.01342 -0.00125 0.00030 -0.00382 0.00263 185 4XY -0.00147 -0.00724 -0.00489 -0.00036 0.00048 186 4XZ -0.00731 -0.00710 -0.00608 -0.00234 -0.00257 187 4YZ 0.00027 0.01437 0.00533 -0.00322 -0.00025 188 23 H 1S 0.12900 0.20568 0.11209 -0.03794 0.03733 189 2S 0.11344 0.18887 0.05137 -0.03780 0.02430 181 182 183 184 185 181 3PZ 0.05804 182 4XX 0.00022 0.00073 183 4YY 0.00080 0.00012 0.00115 184 4ZZ -0.00116 0.00024 -0.00056 0.00111 185 4XY -0.00155 0.00012 0.00011 -0.00022 0.00077 186 4XZ -0.00332 0.00011 0.00029 -0.00017 0.00002 187 4YZ 0.00258 0.00002 -0.00007 0.00015 -0.00031 188 23 H 1S 0.06076 -0.00199 -0.00424 0.00592 -0.00589 189 2S 0.04122 0.00094 -0.00376 0.00631 -0.00548 186 187 188 189 186 4XZ 0.00070 187 4YZ -0.00040 0.00133 188 23 H 1S -0.00826 0.01185 0.21734 189 2S -0.00620 0.01141 0.17557 0.16543 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05491 2 2S -0.01335 0.32558 3 2PX 0.00000 0.00000 0.34947 4 2PY 0.00000 0.00000 0.00000 0.41129 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39171 6 3S -0.03623 0.23410 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11394 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07577 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09628 10 4XX -0.00093 -0.00880 0.00000 0.00000 0.00000 11 4YY -0.00146 0.00121 0.00000 0.00000 0.00000 12 4ZZ -0.00108 -0.00553 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 0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 -0.00002 0.00000 -0.00006 0.00000 18 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 19 2PY 0.00000 -0.00006 0.00000 -0.00019 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 21 3S 0.00007 -0.00080 0.00000 -0.00120 0.00001 22 3PX 0.00000 0.00000 -0.00163 0.00000 0.00000 23 3PY 0.00010 -0.00056 0.00000 0.00106 0.00003 24 3PZ 0.00000 0.00001 0.00000 0.00002 -0.00080 25 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 26 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 27 4ZZ 0.00000 0.00000 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 -0.00020 -0.00049 -0.00023 -0.00060 32 2S -0.00020 0.00517 0.00968 0.00407 0.01173 33 2PX -0.00061 0.01245 0.00707 0.00722 0.02126 34 2PY -0.00018 0.00363 0.00724 -0.00062 0.00576 35 2PZ -0.00066 0.01312 0.02098 0.00716 0.01062 36 3S 0.00028 0.00649 0.00906 0.01007 0.01785 37 3PX -0.00061 0.00997 -0.00091 0.00476 0.01327 38 3PY -0.00020 0.00161 0.00525 0.00060 0.00319 39 3PZ -0.00068 0.01079 0.01365 0.00443 -0.00078 40 4XX -0.00001 0.00021 -0.00059 0.00027 0.00085 41 4YY 0.00000 -0.00018 -0.00017 -0.00005 -0.00017 42 4ZZ -0.00001 0.00030 0.00104 0.00026 -0.00067 43 4XY -0.00003 0.00043 0.00019 0.00003 0.00067 44 4XZ -0.00007 0.00121 0.00037 0.00064 0.00048 45 4YZ -0.00003 0.00042 0.00063 0.00004 0.00025 46 4 H 1S 0.00000 -0.00018 -0.00004 0.00000 -0.00060 47 2S 0.00023 -0.00357 0.00018 -0.00015 -0.00964 48 5 H 1S 0.00000 -0.00014 -0.00033 -0.00001 -0.00008 49 2S 0.00013 -0.00237 -0.00612 -0.00003 -0.00058 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 52 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 53 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 54 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 55 3S -0.00001 -0.00056 0.00055 -0.00351 -0.00087 56 3PX 0.00000 -0.00026 0.00003 -0.00007 -0.00034 57 3PY 0.00009 -0.00227 -0.00058 -0.00456 -0.00101 58 3PZ 0.00000 -0.00031 0.00008 -0.00043 0.00002 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00001 0.00001 0.00001 0.00001 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00008 0.00001 0.00015 0.00016 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S 0.00000 0.00004 0.00021 0.00008 0.00000 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00002 0.00000 0.00006 0.00000 71 10 H 1S -0.00197 0.03108 0.00172 0.09659 0.00017 72 2S -0.00122 0.01271 0.00088 0.06396 -0.00004 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 -0.00023 -0.00001 -0.00053 0.00006 79 3PX 0.00001 -0.00036 -0.00017 -0.00023 -0.00036 80 3PY -0.00001 -0.00004 0.00029 -0.00029 0.00025 81 3PZ 0.00000 -0.00029 -0.00016 -0.00015 0.00002 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00001 0.00005 0.00004 0.00005 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 -0.00008 0.00018 0.00002 0.00007 92 2PX 0.00000 0.00005 0.00183 0.00027 0.00080 93 2PY 0.00000 -0.00001 0.00022 -0.00001 0.00006 94 2PZ 0.00000 0.00008 0.00122 0.00012 0.00033 95 3S 0.00014 0.00002 0.00261 0.00097 0.00010 96 3PX 0.00008 -0.00117 0.00599 0.00127 0.00501 97 3PY 0.00000 -0.00029 0.00202 0.00016 0.00099 98 3PZ 0.00002 0.00077 0.00581 0.00058 0.00030 99 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 100 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 101 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 102 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 103 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 104 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 105 14 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 106 2S 0.00004 -0.00063 -0.00177 0.00000 -0.00202 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00007 -0.00041 -0.00001 -0.00001 128 3PX 0.00000 -0.00023 -0.00134 -0.00003 -0.00007 129 3PY 0.00000 0.00000 0.00002 -0.00001 0.00000 130 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00009 0.00000 -0.00025 -0.00015 158 2PX 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 159 2PY 0.00000 -0.00030 0.00000 -0.00054 -0.00035 160 2PZ 0.00000 -0.00005 -0.00001 -0.00005 -0.00005 161 3S -0.00001 -0.00109 -0.00006 -0.00521 0.00155 162 3PX 0.00000 -0.00009 -0.00101 0.00001 0.00004 163 3PY 0.00010 -0.00232 -0.00029 -0.00572 0.00110 164 3PZ -0.00008 0.00030 -0.00021 0.00034 0.00044 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00002 0.00001 0.00006 0.00003 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00003 0.00001 0.00008 0.00003 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00013 -0.00001 0.00020 0.00034 173 22 C 1S 0.00000 -0.00055 -0.00010 -0.00071 -0.00216 174 2S -0.00059 0.01162 0.00161 0.01009 0.03219 175 2PX -0.00007 0.00098 0.01537 -0.00036 0.01198 176 2PY -0.00066 0.00988 0.00042 -0.00020 0.02781 177 2PZ -0.00228 0.03271 0.00928 0.02710 0.03608 178 3S 0.00055 0.00568 0.00068 0.01097 0.01283 179 3PX 0.00020 -0.00097 0.02549 -0.00102 0.00541 180 3PY -0.00040 0.00367 -0.00025 0.00124 0.01532 181 3PZ -0.00065 0.01595 0.00436 0.00891 0.00049 182 4XX 0.00001 -0.00036 0.00004 -0.00020 -0.00062 183 4YY 0.00001 -0.00044 -0.00002 -0.00030 -0.00064 184 4ZZ -0.00011 0.00166 0.00041 0.00203 -0.00084 185 4XY -0.00001 0.00010 0.00036 0.00000 0.00030 186 4XZ -0.00002 0.00017 0.00110 0.00021 0.00019 187 4YZ -0.00015 0.00149 0.00028 -0.00004 0.00175 188 23 H 1S 0.00000 -0.00021 -0.00006 0.00000 -0.00066 189 2S 0.00025 -0.00345 -0.00094 0.00000 -0.01017 6 7 8 9 10 6 3S 0.29342 7 3PX 0.00000 0.13264 8 3PY 0.00000 0.00000 0.05395 9 3PZ 0.00000 0.00000 0.00000 0.08989 10 4XX -0.00614 0.00000 0.00000 0.00000 0.00124 11 4YY 0.00262 0.00000 0.00000 0.00000 -0.00013 12 4ZZ -0.00527 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00007 0.00000 0.00010 0.00000 0.00000 17 2S -0.00081 0.00000 -0.00057 -0.00001 0.00000 18 2PX 0.00000 -0.00161 0.00000 0.00000 0.00000 19 2PY -0.00121 0.00000 0.00107 -0.00002 0.00000 20 2PZ -0.00001 0.00000 -0.00002 -0.00079 0.00000 21 3S -0.00455 0.00000 -0.00161 0.00002 0.00001 22 3PX 0.00000 -0.00868 -0.00001 0.00000 0.00000 23 3PY -0.00148 0.00000 0.00451 0.00005 0.00001 24 3PZ -0.00001 0.00000 -0.00004 -0.00322 0.00000 25 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 26 4YY 0.00003 0.00000 -0.00003 0.00000 0.00000 27 4ZZ 0.00001 0.00000 -0.00001 0.00000 0.00000 28 4XY 0.00000 -0.00001 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 -0.00004 0.00000 31 3 C 1S 0.00008 -0.00015 -0.00019 -0.00041 -0.00002 32 2S 0.00388 0.00437 0.00282 0.00624 0.00042 33 2PX 0.00877 -0.00075 0.00061 0.01006 -0.00058 34 2PY 0.00252 0.00413 -0.00132 0.00313 0.00033 35 2PZ 0.01488 0.00748 0.00175 -0.00055 0.00095 36 3S -0.00427 -0.00409 0.00607 0.01206 0.00132 37 3PX 0.00440 -0.00395 0.00064 0.00824 -0.00052 38 3PY -0.00007 0.00455 -0.00035 0.00131 0.00035 39 3PZ 0.01054 0.00704 0.00080 -0.00427 0.00105 40 4XX 0.00092 -0.00132 0.00038 0.00132 0.00005 41 4YY -0.00035 0.00008 -0.00033 -0.00036 -0.00003 42 4ZZ -0.00009 0.00174 0.00000 -0.00089 -0.00011 43 4XY 0.00014 0.00000 0.00015 0.00017 -0.00003 44 4XZ 0.00060 0.00000 0.00007 0.00000 -0.00002 45 4YZ 0.00022 0.00014 0.00011 0.00000 0.00001 46 4 H 1S -0.00341 0.00063 -0.00001 -0.00345 -0.00001 47 2S -0.01406 0.00413 -0.00025 -0.01639 -0.00040 48 5 H 1S -0.00048 -0.00446 0.00024 -0.00040 0.00009 49 2S 0.00042 -0.01662 0.00066 0.00073 0.00078 50 6 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 51 2S -0.00027 -0.00019 -0.00086 -0.00052 0.00000 52 2PX 0.00038 0.00004 0.00126 -0.00063 0.00000 53 2PY -0.00112 -0.00082 -0.00105 -0.00095 -0.00001 54 2PZ -0.00034 -0.00017 0.00048 0.00001 0.00000 55 3S -0.00145 0.00326 -0.00611 -0.00425 -0.00007 56 3PX 0.00121 0.00055 0.00217 -0.00138 0.00000 57 3PY -0.00453 -0.00008 -0.00390 -0.00247 -0.00012 58 3PZ -0.00114 0.00017 0.00021 0.00064 -0.00003 59 4XX -0.00004 0.00009 -0.00001 -0.00003 0.00000 60 4YY 0.00002 -0.00011 0.00004 0.00003 0.00000 61 4ZZ 0.00002 -0.00007 -0.00002 0.00004 0.00000 62 4XY 0.00001 0.00000 -0.00001 0.00006 0.00000 63 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 64 4YZ 0.00005 0.00005 0.00003 0.00000 0.00000 65 7 H 1S 0.00005 0.00000 -0.00003 0.00008 0.00000 66 2S 0.00063 -0.00017 0.00001 0.00108 0.00001 67 8 H 1S -0.00005 0.00021 -0.00015 0.00004 0.00000 68 2S -0.00049 0.00187 -0.00051 0.00022 0.00000 69 9 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 70 2S 0.00023 0.00003 -0.00011 0.00002 0.00000 71 10 H 1S 0.04196 0.00020 0.04350 0.00020 -0.00101 72 2S 0.02254 -0.00062 0.04224 -0.00009 -0.00197 73 11 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 74 2S -0.00004 -0.00021 -0.00002 -0.00009 0.00000 75 2PX 0.00003 -0.00027 0.00031 0.00001 0.00000 76 2PY -0.00004 -0.00040 0.00007 -0.00035 0.00000 77 2PZ -0.00009 -0.00044 0.00014 0.00000 0.00000 78 3S -0.00073 -0.00024 -0.00044 0.00004 0.00000 79 3PX -0.00006 -0.00121 0.00098 -0.00061 0.00001 80 3PY -0.00054 0.00178 -0.00031 0.00011 0.00000 81 3PZ -0.00058 -0.00126 0.00032 -0.00006 0.00002 82 4XX 0.00000 -0.00002 0.00002 0.00000 0.00000 83 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 84 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 85 4XY 0.00000 0.00006 0.00001 0.00004 0.00000 86 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 87 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 88 12 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 89 2S 0.00017 0.00074 -0.00008 0.00060 0.00000 90 13 C 1S 0.00005 0.00001 -0.00001 -0.00009 0.00000 91 2S 0.00001 0.00029 0.00032 0.00100 0.00002 92 2PX -0.00015 0.00659 0.00045 0.00458 0.00007 93 2PY -0.00005 0.00087 0.00001 0.00083 0.00002 94 2PZ 0.00161 0.00582 0.00073 0.00064 0.00005 95 3S 0.00312 0.00479 0.00185 0.00295 0.00020 96 3PX -0.00100 0.00899 0.00107 0.01023 0.00048 97 3PY 0.00005 0.00415 -0.00001 0.00223 0.00013 98 3PZ 0.00376 0.01033 0.00116 -0.00075 0.00021 99 4XX 0.00049 0.00054 0.00018 0.00046 0.00000 100 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 101 4ZZ -0.00022 -0.00020 -0.00011 -0.00011 0.00000 102 4XY 0.00000 0.00005 0.00004 0.00003 0.00000 103 4XZ 0.00009 0.00028 0.00003 0.00003 0.00000 104 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 105 14 H 1S -0.00084 -0.00136 0.00000 -0.00053 0.00000 106 2S -0.00516 -0.00787 -0.00001 -0.00577 -0.00003 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 109 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 110 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 113 3PX -0.00005 0.00007 -0.00021 0.00000 0.00000 114 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 115 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00003 -0.00019 0.00002 -0.00005 0.00000 124 2PX -0.00041 -0.00133 -0.00007 -0.00014 0.00000 125 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 126 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 127 3S -0.00087 -0.00262 0.00001 -0.00037 0.00000 128 3PX -0.00351 -0.00696 -0.00042 -0.00076 0.00005 129 3PY -0.00006 0.00022 -0.00023 -0.00002 0.00000 130 3PZ -0.00072 -0.00103 -0.00009 0.00128 0.00001 131 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 132 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 133 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00004 0.00018 0.00001 0.00001 0.00000 143 3PX 0.00001 0.00011 -0.00007 0.00001 0.00000 144 3PY 0.00004 0.00052 0.00000 0.00001 0.00000 145 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 146 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00009 0.00008 0.00006 -0.00002 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 156 20 C 1S 0.00004 0.00000 0.00007 0.00007 0.00000 157 2S -0.00108 -0.00002 -0.00133 -0.00136 0.00000 158 2PX -0.00021 -0.00116 -0.00029 -0.00034 0.00000 159 2PY -0.00156 -0.00027 0.00056 -0.00246 0.00000 160 2PZ -0.00163 -0.00017 -0.00018 -0.00017 0.00000 161 3S -0.00124 -0.00087 -0.00646 0.00350 -0.00008 162 3PX -0.00008 -0.00489 -0.00024 -0.00048 0.00000 163 3PY -0.00382 -0.00137 -0.00225 0.00207 -0.00018 164 3PZ -0.00120 -0.00078 0.00089 -0.00072 -0.00006 165 4XX 0.00003 0.00001 0.00000 -0.00001 0.00000 166 4YY 0.00013 0.00003 0.00018 -0.00002 0.00000 167 4ZZ 0.00001 -0.00003 0.00006 0.00011 0.00000 168 4XY 0.00000 0.00022 -0.00001 0.00006 0.00000 169 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 170 4YZ 0.00022 0.00003 0.00021 0.00003 0.00000 171 21 H 1S 0.00010 0.00000 0.00005 0.00019 0.00000 172 2S 0.00155 -0.00012 0.00099 0.00240 0.00000 173 22 C 1S -0.00072 0.00003 -0.00070 -0.00159 0.00001 174 2S 0.01361 -0.00015 0.00804 0.01850 -0.00054 175 2PX 0.00003 0.02816 -0.00067 0.00659 0.00006 176 2PY 0.00640 0.00001 -0.00094 0.01269 -0.00021 177 2PZ 0.03433 0.00415 0.01101 0.00340 -0.00092 178 3S -0.01059 0.00057 0.00515 0.00202 -0.00040 179 3PX -0.00262 0.04604 -0.00114 0.00512 -0.00017 180 3PY 0.00168 -0.00113 0.00089 0.01145 -0.00049 181 3PZ 0.01693 0.00445 0.00429 0.00077 -0.00020 182 4XX -0.00086 -0.00011 -0.00028 -0.00019 0.00002 183 4YY -0.00061 -0.00014 -0.00055 -0.00043 -0.00001 184 4ZZ 0.00200 0.00052 0.00077 -0.00090 0.00001 185 4XY 0.00004 0.00035 0.00000 0.00009 0.00000 186 4XZ -0.00001 0.00067 0.00000 0.00003 0.00000 187 4YZ 0.00076 0.00004 0.00003 0.00009 -0.00006 188 23 H 1S -0.00371 0.00037 -0.00010 -0.00337 0.00001 189 2S -0.01414 0.00101 -0.00029 -0.01474 0.00034 11 12 13 14 15 11 4YY 0.00185 12 4ZZ -0.00028 0.00138 13 4XY 0.00000 0.00000 0.00038 14 4XZ 0.00000 0.00000 0.00000 0.00089 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 16 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 0.00000 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 3S 0.00002 0.00000 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 23 3PY -0.00003 -0.00003 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 25 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 26 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 27 4ZZ 0.00000 0.00000 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 0.00001 -0.00001 -0.00002 -0.00007 -0.00002 32 2S -0.00028 0.00024 0.00036 0.00110 0.00042 33 2PX -0.00029 0.00065 0.00019 0.00032 0.00063 34 2PY -0.00005 0.00032 0.00005 0.00058 0.00004 35 2PZ -0.00027 -0.00083 0.00058 0.00038 0.00029 36 3S -0.00159 0.00065 0.00017 0.00074 0.00027 37 3PX -0.00066 0.00076 0.00000 -0.00001 0.00018 38 3PY -0.00035 0.00022 0.00010 0.00016 0.00006 39 3PZ -0.00057 -0.00081 0.00014 0.00000 0.00000 40 4XX -0.00002 -0.00009 -0.00002 0.00003 -0.00001 41 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 42 4ZZ -0.00004 0.00005 -0.00001 -0.00001 -0.00002 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ -0.00002 -0.00004 0.00002 0.00002 0.00001 45 4YZ 0.00000 -0.00004 0.00000 0.00000 0.00000 46 4 H 1S -0.00001 0.00016 0.00000 0.00002 0.00000 47 2S -0.00015 0.00124 -0.00001 -0.00006 -0.00003 48 5 H 1S 0.00000 -0.00001 0.00000 0.00002 0.00000 49 2S -0.00011 -0.00022 -0.00002 0.00002 -0.00001 50 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 51 2S 0.00001 0.00000 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 53 2PY 0.00005 -0.00001 0.00003 0.00000 0.00002 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 56 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 57 3PY 0.00056 -0.00012 0.00010 -0.00006 0.00008 58 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 59 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 61 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S -0.00002 0.00000 0.00000 0.00000 0.00000 67 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 68 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 10 H 1S 0.00749 -0.00120 0.00019 0.00000 0.00001 72 2S 0.00678 -0.00281 0.00003 0.00000 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00002 0.00000 0.00000 0.00001 0.00001 79 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 80 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 81 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00003 0.00000 92 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 93 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 94 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 95 3S -0.00014 0.00000 0.00002 0.00013 0.00001 96 3PX -0.00024 0.00010 0.00004 0.00026 0.00006 97 3PY 0.00000 -0.00005 0.00000 0.00005 -0.00001 98 3PZ -0.00005 -0.00003 0.00004 0.00003 0.00000 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 106 2S -0.00001 0.00011 0.00000 0.00006 0.00000 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00003 -0.00001 0.00000 0.00000 0.00001 158 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 159 2PY 0.00014 -0.00002 0.00000 0.00000 0.00009 160 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 161 3S 0.00044 -0.00009 0.00000 -0.00001 0.00013 162 3PX -0.00002 0.00003 0.00005 0.00009 0.00000 163 3PY 0.00072 -0.00015 0.00000 -0.00001 0.00016 164 3PZ 0.00000 0.00001 0.00001 0.00000 0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S -0.00002 0.00001 0.00000 0.00000 0.00000 173 22 C 1S 0.00002 -0.00014 -0.00001 -0.00002 -0.00013 174 2S -0.00044 0.00188 0.00010 0.00017 0.00145 175 2PX -0.00001 0.00050 0.00030 0.00131 0.00028 176 2PY -0.00028 0.00203 0.00000 0.00012 -0.00005 177 2PZ -0.00030 -0.00092 0.00027 0.00018 0.00193 178 3S -0.00144 0.00250 0.00003 0.00004 0.00038 179 3PX -0.00002 0.00049 0.00022 0.00100 0.00002 180 3PY -0.00042 0.00111 -0.00001 -0.00002 -0.00002 181 3PZ -0.00027 -0.00079 0.00004 0.00003 0.00005 182 4XX 0.00000 -0.00002 0.00000 0.00000 -0.00004 183 4YY 0.00004 -0.00012 0.00000 -0.00002 0.00000 184 4ZZ -0.00017 0.00003 0.00000 0.00004 -0.00008 185 4XY 0.00000 -0.00002 0.00000 -0.00001 0.00000 186 4XZ -0.00004 0.00005 0.00002 -0.00003 -0.00001 187 4YZ 0.00001 -0.00009 0.00000 -0.00003 0.00002 188 23 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 189 2S -0.00037 0.00047 0.00000 0.00013 -0.00004 16 17 18 19 20 16 2 C 1S 2.05500 17 2S -0.01342 0.32648 18 2PX 0.00000 0.00000 0.34806 19 2PY 0.00000 0.00000 0.00000 0.41176 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39188 21 3S -0.03634 0.23543 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11603 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07533 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09284 25 4XX -0.00091 -0.00924 0.00000 0.00000 0.00000 26 4YY -0.00146 0.00111 0.00000 0.00000 0.00000 27 4ZZ -0.00110 -0.00509 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 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 33 2PX 0.00000 -0.00002 -0.00001 -0.00003 -0.00002 34 2PY 0.00000 -0.00012 -0.00010 -0.00028 -0.00006 35 2PZ 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 36 3S -0.00001 -0.00049 0.00047 -0.00349 -0.00072 37 3PX 0.00000 -0.00023 0.00003 -0.00002 -0.00032 38 3PY 0.00009 -0.00234 -0.00056 -0.00476 -0.00090 39 3PZ 0.00000 -0.00034 -0.00006 -0.00041 0.00004 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 46 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00006 -0.00001 0.00015 0.00017 48 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S 0.00000 0.00007 0.00020 0.00011 0.00002 50 6 C 1S 0.00000 -0.00020 -0.00047 -0.00025 -0.00060 51 2S -0.00020 0.00512 0.00934 0.00437 0.01171 52 2PX -0.00067 0.01395 0.00778 0.00842 0.02291 53 2PY -0.00020 0.00396 0.00759 -0.00059 0.00631 54 2PZ -0.00058 0.01122 0.01842 0.00689 0.00890 55 3S 0.00027 0.00625 0.00755 0.01074 0.01774 56 3PX -0.00073 0.01136 -0.00122 0.00520 0.01394 57 3PY -0.00023 0.00186 0.00520 0.00028 0.00391 58 3PZ -0.00054 0.00941 0.01180 0.00469 -0.00080 59 4XX -0.00001 0.00019 -0.00057 0.00026 0.00078 60 4YY 0.00000 -0.00017 -0.00013 -0.00007 -0.00014 61 4ZZ -0.00001 0.00029 0.00101 0.00027 -0.00065 62 4XY -0.00003 0.00047 0.00019 0.00002 0.00069 63 4XZ -0.00007 0.00119 0.00039 0.00067 0.00039 64 4YZ -0.00003 0.00044 0.00070 0.00002 0.00025 65 7 H 1S 0.00000 -0.00010 -0.00004 0.00000 -0.00041 66 2S 0.00014 -0.00201 0.00027 -0.00006 -0.00739 67 8 H 1S 0.00000 -0.00025 -0.00041 -0.00001 -0.00009 68 2S 0.00023 -0.00407 -0.00729 -0.00019 -0.00079 69 9 H 1S -0.00196 0.03099 0.00164 0.09666 0.00035 70 2S -0.00121 0.01248 0.00086 0.06399 0.00003 71 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 0.00002 0.00000 0.00006 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 -0.00009 0.00021 0.00001 0.00005 75 2PX 0.00000 0.00001 0.00190 0.00027 0.00074 76 2PY 0.00000 -0.00002 0.00025 0.00000 0.00006 77 2PZ 0.00000 0.00007 0.00123 0.00012 0.00031 78 3S 0.00014 -0.00010 0.00263 0.00092 -0.00017 79 3PX 0.00009 -0.00135 0.00631 0.00130 0.00469 80 3PY 0.00000 -0.00038 0.00217 0.00017 0.00092 81 3PZ 0.00003 0.00066 0.00577 0.00056 0.00026 82 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 83 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 84 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 85 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 86 4XZ 0.00000 0.00003 0.00011 0.00001 0.00002 87 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 88 12 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 89 2S 0.00003 -0.00059 -0.00176 -0.00001 -0.00187 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 93 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 94 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 3S 0.00000 -0.00024 -0.00002 -0.00053 0.00006 96 3PX 0.00001 -0.00038 -0.00014 -0.00024 -0.00033 97 3PY -0.00001 -0.00005 0.00031 -0.00029 0.00026 98 3PZ 0.00000 -0.00029 -0.00012 -0.00012 0.00001 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 0.00005 0.00004 0.00005 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 113 3PX 0.00000 -0.00020 -0.00136 -0.00002 -0.00006 114 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 115 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 116 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00001 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 -0.00056 -0.00010 -0.00067 -0.00218 157 2S -0.00060 0.01189 0.00156 0.00951 0.03231 158 2PX -0.00009 0.00120 0.01578 -0.00033 0.01183 159 2PY -0.00062 0.00929 0.00029 -0.00051 0.02637 160 2PZ -0.00232 0.03353 0.00949 0.02597 0.03851 161 3S 0.00060 0.00527 0.00082 0.01063 0.01387 162 3PX 0.00018 -0.00078 0.02606 -0.00093 0.00532 163 3PY -0.00040 0.00360 -0.00027 0.00137 0.01454 164 3PZ -0.00057 0.01544 0.00462 0.00860 0.00101 165 4XX 0.00001 -0.00036 0.00004 -0.00019 -0.00062 166 4YY 0.00001 -0.00046 -0.00003 -0.00024 -0.00077 167 4ZZ -0.00012 0.00175 0.00042 0.00198 -0.00069 168 4XY -0.00001 0.00010 0.00033 0.00000 0.00029 169 4XZ -0.00002 0.00018 0.00110 0.00021 0.00023 170 4YZ -0.00014 0.00142 0.00027 -0.00002 0.00175 171 21 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00065 172 2S 0.00026 -0.00362 -0.00094 0.00000 -0.00986 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 -0.00009 0.00000 -0.00024 -0.00016 175 2PX 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 176 2PY 0.00000 -0.00030 0.00000 -0.00051 -0.00037 177 2PZ 0.00000 -0.00005 -0.00001 -0.00005 -0.00006 178 3S -0.00001 -0.00105 -0.00003 -0.00515 0.00140 179 3PX 0.00000 -0.00010 -0.00101 -0.00001 0.00004 180 3PY 0.00010 -0.00218 -0.00028 -0.00544 0.00088 181 3PZ -0.00009 0.00036 -0.00020 0.00020 0.00055 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00001 0.00001 0.00006 0.00002 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 185 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00003 0.00001 0.00008 0.00004 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00013 -0.00001 0.00019 0.00035 21 22 23 24 25 21 3S 0.29496 22 3PX 0.00000 0.13729 23 3PY 0.00000 0.00000 0.05457 24 3PZ 0.00000 0.00000 0.00000 0.08471 25 4XX -0.00658 0.00000 0.00000 0.00000 0.00131 26 4YY 0.00252 0.00000 0.00000 0.00000 -0.00013 27 4ZZ -0.00478 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 32 2S -0.00031 -0.00019 -0.00097 -0.00043 0.00000 33 2PX 0.00020 0.00004 0.00095 -0.00066 0.00000 34 2PY -0.00118 -0.00073 -0.00111 -0.00092 -0.00001 35 2PZ -0.00013 -0.00015 0.00081 0.00003 0.00000 36 3S -0.00116 0.00294 -0.00628 -0.00356 -0.00008 37 3PX 0.00097 0.00056 0.00199 -0.00134 0.00000 38 3PY -0.00449 0.00010 -0.00397 -0.00229 -0.00013 39 3PZ -0.00050 -0.00014 0.00088 0.00055 -0.00002 40 4XX 0.00000 0.00010 0.00002 -0.00001 0.00000 41 4YY 0.00002 -0.00010 0.00004 0.00002 0.00000 42 4ZZ -0.00001 -0.00009 -0.00004 0.00002 0.00000 43 4XY 0.00002 0.00000 0.00001 0.00006 0.00000 44 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 45 4YZ 0.00004 0.00004 0.00002 0.00000 0.00000 46 4 H 1S 0.00004 -0.00001 -0.00007 0.00006 0.00000 47 2S 0.00032 -0.00034 -0.00033 0.00109 0.00001 48 5 H 1S -0.00001 0.00019 -0.00008 0.00005 0.00000 49 2S 0.00012 0.00181 0.00008 0.00034 0.00000 50 6 C 1S 0.00002 -0.00010 -0.00023 -0.00036 -0.00002 51 2S 0.00417 0.00399 0.00314 0.00587 0.00043 52 2PX 0.01163 -0.00092 0.00125 0.01089 -0.00066 53 2PY 0.00311 0.00417 -0.00160 0.00320 0.00039 54 2PZ 0.01302 0.00630 0.00190 -0.00057 0.00095 55 3S -0.00532 -0.00645 0.00641 0.01217 0.00130 56 3PX 0.00659 -0.00610 0.00069 0.00825 -0.00069 57 3PY 0.00063 0.00432 -0.00098 0.00174 0.00040 58 3PZ 0.00842 0.00588 0.00087 -0.00268 0.00092 59 4XX 0.00081 -0.00131 0.00037 0.00118 0.00005 60 4YY -0.00032 0.00017 -0.00036 -0.00031 -0.00003 61 4ZZ -0.00003 0.00170 0.00003 -0.00085 -0.00009 62 4XY 0.00019 0.00000 0.00012 0.00018 -0.00003 63 4XZ 0.00054 -0.00001 0.00006 0.00000 -0.00005 64 4YZ 0.00022 0.00016 0.00011 0.00000 0.00001 65 7 H 1S -0.00231 0.00052 0.00002 -0.00267 -0.00001 66 2S -0.00901 0.00433 -0.00013 -0.01263 -0.00030 67 8 H 1S -0.00115 -0.00552 0.00026 -0.00055 0.00019 68 2S -0.00328 -0.01908 0.00056 -0.00009 0.00113 69 9 H 1S 0.04237 0.00012 0.04322 0.00030 -0.00100 70 2S 0.02342 -0.00061 0.04188 -0.00008 -0.00189 71 10 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 72 2S 0.00021 0.00003 -0.00013 0.00000 0.00000 73 11 C 1S 0.00006 0.00000 -0.00001 -0.00007 0.00000 74 2S -0.00017 0.00041 0.00032 0.00082 0.00002 75 2PX -0.00030 0.00682 0.00063 0.00429 0.00007 76 2PY -0.00010 0.00098 0.00000 0.00082 0.00002 77 2PZ 0.00155 0.00591 0.00080 0.00056 0.00005 78 3S 0.00253 0.00461 0.00187 0.00222 0.00019 79 3PX -0.00131 0.00945 0.00137 0.00969 0.00052 80 3PY -0.00020 0.00441 -0.00009 0.00210 0.00014 81 3PZ 0.00355 0.01037 0.00127 -0.00080 0.00023 82 4XX 0.00050 0.00052 0.00019 0.00046 0.00000 83 4YY -0.00008 -0.00012 -0.00002 -0.00009 0.00000 84 4ZZ -0.00024 -0.00020 -0.00012 -0.00011 0.00000 85 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 86 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 87 4YZ 0.00002 0.00007 0.00001 0.00000 0.00000 88 12 H 1S -0.00086 -0.00134 -0.00002 -0.00053 0.00000 89 2S -0.00492 -0.00780 -0.00007 -0.00524 -0.00003 90 13 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 91 2S -0.00003 -0.00022 0.00001 -0.00009 0.00000 92 2PX 0.00010 -0.00027 0.00044 0.00001 0.00000 93 2PY -0.00004 -0.00042 0.00006 -0.00033 0.00000 94 2PZ -0.00005 -0.00041 0.00019 0.00000 0.00000 95 3S -0.00050 -0.00035 -0.00012 0.00001 0.00000 96 3PX 0.00032 -0.00119 0.00140 -0.00056 0.00001 97 3PY -0.00080 0.00193 -0.00044 0.00015 0.00001 98 3PZ -0.00036 -0.00115 0.00057 -0.00009 0.00003 99 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 100 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 101 4ZZ -0.00001 0.00001 -0.00003 0.00000 0.00000 102 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 103 4XZ 0.00001 -0.00002 0.00001 0.00000 0.00000 104 4YZ 0.00001 0.00006 0.00002 0.00001 0.00000 105 14 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 106 2S 0.00008 0.00079 -0.00014 0.00056 0.00000 107 15 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S 0.00003 -0.00020 0.00001 -0.00005 0.00000 109 2PX -0.00042 -0.00135 -0.00008 -0.00013 0.00000 110 2PY -0.00001 0.00003 -0.00002 0.00000 0.00000 111 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 112 3S -0.00074 -0.00263 0.00001 -0.00034 0.00000 113 3PX -0.00360 -0.00701 -0.00047 -0.00070 0.00005 114 3PY -0.00007 0.00021 -0.00022 -0.00002 0.00000 115 3PZ -0.00073 -0.00105 -0.00009 0.00124 0.00001 116 4XX 0.00000 0.00023 0.00000 0.00002 0.00000 117 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 118 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 120 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 124 2PX -0.00001 0.00001 -0.00002 0.00000 0.00000 125 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00004 0.00013 -0.00005 0.00000 0.00000 128 3PX -0.00009 0.00007 -0.00027 0.00000 0.00000 129 3PY -0.00004 0.00013 0.00001 0.00001 0.00000 130 3PZ 0.00000 0.00001 -0.00003 0.00002 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00001 0.00002 0.00001 0.00000 0.00000 140 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00004 0.00019 0.00001 0.00000 0.00000 143 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 144 3PY 0.00002 0.00053 0.00000 0.00001 0.00000 145 3PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 146 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00009 0.00009 0.00007 -0.00003 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00003 -0.00005 -0.00002 -0.00001 0.00000 156 20 C 1S -0.00074 0.00003 -0.00065 -0.00153 0.00001 157 2S 0.01364 -0.00010 0.00730 0.01786 -0.00052 158 2PX 0.00027 0.02908 -0.00078 0.00645 0.00006 159 2PY 0.00610 -0.00004 -0.00069 0.01174 -0.00019 160 2PZ 0.03417 0.00442 0.01015 0.00370 -0.00089 161 3S -0.01276 0.00086 0.00446 0.00223 -0.00041 162 3PX -0.00219 0.04761 -0.00115 0.00500 -0.00019 163 3PY 0.00239 -0.00111 0.00072 0.01056 -0.00044 164 3PZ 0.01491 0.00475 0.00386 0.00054 -0.00020 165 4XX -0.00081 -0.00011 -0.00025 -0.00017 0.00002 166 4YY -0.00069 -0.00014 -0.00052 -0.00053 -0.00001 167 4ZZ 0.00210 0.00051 0.00077 -0.00079 0.00001 168 4XY 0.00005 0.00033 0.00000 0.00008 0.00000 169 4XZ 0.00000 0.00071 0.00000 0.00003 0.00000 170 4YZ 0.00072 0.00003 0.00006 0.00010 -0.00005 171 21 H 1S -0.00367 0.00034 -0.00006 -0.00322 0.00001 172 2S -0.01446 0.00081 -0.00017 -0.01377 0.00031 173 22 C 1S 0.00005 0.00000 0.00007 0.00007 0.00000 174 2S -0.00121 -0.00001 -0.00143 -0.00144 0.00000 175 2PX -0.00030 -0.00115 -0.00040 -0.00035 0.00000 176 2PY -0.00148 -0.00027 0.00062 -0.00238 0.00000 177 2PZ -0.00171 -0.00016 -0.00015 -0.00026 0.00000 178 3S -0.00123 -0.00073 -0.00666 0.00310 -0.00005 179 3PX -0.00035 -0.00499 -0.00043 -0.00049 0.00000 180 3PY -0.00292 -0.00137 -0.00184 0.00184 -0.00017 181 3PZ -0.00091 -0.00076 0.00085 -0.00045 -0.00005 182 4XX 0.00003 0.00001 0.00000 -0.00001 0.00000 183 4YY 0.00011 0.00003 0.00015 -0.00003 0.00000 184 4ZZ 0.00004 -0.00003 0.00009 0.00012 0.00000 185 4XY 0.00000 0.00023 -0.00001 0.00006 0.00000 186 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 187 4YZ 0.00022 0.00003 0.00021 0.00004 0.00000 188 23 H 1S 0.00011 0.00000 0.00006 0.00020 0.00000 189 2S 0.00165 -0.00015 0.00098 0.00244 0.00000 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00028 0.00132 28 4XY 0.00000 0.00000 0.00037 29 4XZ 0.00000 0.00000 0.00000 0.00091 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00001 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 37 3PX -0.00002 -0.00001 0.00000 0.00000 0.00001 38 3PY 0.00058 -0.00013 0.00010 -0.00006 0.00008 39 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00002 0.00000 0.00000 0.00000 0.00000 48 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 49 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 50 6 C 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00003 51 2S -0.00028 0.00020 0.00038 0.00107 0.00044 52 2PX -0.00025 0.00059 0.00021 0.00032 0.00070 53 2PY -0.00006 0.00029 0.00003 0.00061 0.00002 54 2PZ -0.00029 -0.00073 0.00058 0.00035 0.00026 55 3S -0.00154 0.00062 0.00018 0.00073 0.00028 56 3PX -0.00059 0.00085 0.00000 0.00000 0.00020 57 3PY -0.00038 0.00020 0.00009 0.00017 0.00004 58 3PZ -0.00062 -0.00069 0.00014 0.00000 0.00000 59 4XX -0.00002 -0.00009 -0.00001 0.00002 -0.00001 60 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 61 4ZZ -0.00004 0.00005 -0.00002 0.00000 -0.00002 62 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 63 4XZ -0.00002 0.00000 0.00002 0.00002 0.00001 64 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 65 7 H 1S 0.00000 0.00008 0.00000 0.00001 0.00000 66 2S -0.00013 0.00088 -0.00001 -0.00004 -0.00002 67 8 H 1S -0.00001 -0.00001 0.00000 0.00003 0.00000 68 2S -0.00013 -0.00030 -0.00002 0.00000 -0.00001 69 9 H 1S 0.00749 -0.00121 0.00016 0.00001 0.00003 70 2S 0.00679 -0.00290 0.00003 0.00000 0.00001 71 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 0.00000 0.00000 0.00000 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00003 0.00000 75 2PX -0.00001 0.00001 0.00002 0.00010 0.00001 76 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 77 2PZ 0.00000 0.00000 0.00001 0.00001 0.00001 78 3S -0.00014 0.00002 0.00003 0.00013 0.00000 79 3PX -0.00024 0.00009 0.00004 0.00024 0.00006 80 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 81 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 89 2S -0.00001 0.00011 0.00000 0.00007 0.00000 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 3S 0.00002 0.00000 0.00000 0.00001 0.00001 96 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 97 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 98 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00002 -0.00014 -0.00001 -0.00002 -0.00013 157 2S -0.00047 0.00191 0.00009 0.00017 0.00137 158 2PX -0.00001 0.00050 0.00028 0.00138 0.00026 159 2PY -0.00022 0.00196 0.00000 0.00011 -0.00003 160 2PZ -0.00039 -0.00092 0.00026 0.00020 0.00193 161 3S -0.00146 0.00257 0.00003 0.00004 0.00037 162 3PX -0.00002 0.00049 0.00021 0.00106 0.00002 163 3PY -0.00040 0.00101 0.00000 -0.00002 0.00000 164 3PZ -0.00030 -0.00074 0.00004 0.00003 0.00006 165 4XX 0.00000 -0.00002 0.00000 0.00000 -0.00004 166 4YY 0.00004 -0.00011 0.00000 -0.00002 0.00000 167 4ZZ -0.00016 0.00004 0.00000 0.00004 -0.00008 168 4XY 0.00000 -0.00002 0.00000 -0.00001 0.00000 169 4XZ -0.00004 0.00005 0.00002 -0.00002 -0.00001 170 4YZ 0.00001 -0.00010 0.00000 -0.00003 0.00002 171 21 H 1S -0.00001 0.00009 0.00000 0.00003 0.00000 172 2S -0.00036 0.00052 0.00000 0.00013 -0.00003 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00003 -0.00001 0.00000 0.00000 0.00002 175 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 176 2PY 0.00013 -0.00002 0.00000 0.00000 0.00010 177 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 178 3S 0.00043 -0.00012 0.00000 -0.00002 0.00013 179 3PX -0.00002 0.00003 0.00004 0.00010 0.00000 180 3PY 0.00070 -0.00017 0.00000 -0.00001 0.00016 181 3PZ 0.00000 0.00000 0.00001 0.00000 0.00003 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00002 0.00001 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05090 32 2S -0.01173 0.30686 33 2PX 0.00000 0.00000 0.39920 34 2PY 0.00000 0.00000 0.00000 0.38074 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.40089 36 3S -0.03462 0.22980 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.10274 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.09893 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.10448 40 4XX -0.00140 -0.00025 0.00000 0.00000 0.00000 41 4YY -0.00123 -0.00371 0.00000 0.00000 0.00000 42 4ZZ -0.00131 -0.00203 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 H 1S -0.00161 0.02652 0.00763 0.01200 0.07870 47 2S -0.00032 0.00800 0.00512 0.00728 0.05424 48 5 H 1S -0.00171 0.02827 0.08370 0.00992 0.00267 49 2S -0.00079 0.01189 0.05357 0.00618 0.00203 50 6 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 51 2S -0.00013 0.00356 0.00000 0.02300 -0.00001 52 2PX 0.00000 0.00000 0.00016 0.00000 0.00000 53 2PY -0.00105 0.02291 0.00000 0.07740 0.00001 54 2PZ 0.00000 0.00001 0.00000 0.00001 0.00028 55 3S 0.00032 0.00301 0.00000 0.02736 0.00000 56 3PX 0.00000 0.00000 -0.00153 0.00000 0.00000 57 3PY -0.00142 0.02018 0.00001 0.03442 0.00005 58 3PZ 0.00000 0.00003 0.00000 -0.00002 -0.00119 59 4XX 0.00000 -0.00022 0.00000 -0.00058 0.00000 60 4YY -0.00011 0.00252 0.00000 0.00250 0.00000 61 4ZZ 0.00000 -0.00022 0.00000 -0.00062 0.00000 62 4XY 0.00000 0.00000 0.00108 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00111 65 7 H 1S 0.00000 -0.00011 0.00000 -0.00034 -0.00013 66 2S 0.00010 -0.00185 -0.00007 -0.00513 -0.00174 67 8 H 1S 0.00000 -0.00013 -0.00014 -0.00031 -0.00002 68 2S 0.00014 -0.00228 -0.00154 -0.00441 -0.00036 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00006 0.00002 0.00028 0.00002 71 10 H 1S 0.00000 -0.00013 -0.00015 -0.00027 -0.00012 72 2S 0.00017 -0.00248 -0.00259 -0.00433 -0.00202 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 -0.00007 -0.00014 -0.00004 0.00001 79 3PX 0.00001 -0.00046 -0.00059 -0.00006 0.00003 80 3PY 0.00000 0.00004 -0.00006 -0.00001 0.00000 81 3PZ 0.00000 -0.00001 -0.00002 -0.00001 -0.00003 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00002 0.00000 -0.00001 -0.00002 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 92 2PX 0.00000 -0.00003 -0.00009 0.00000 0.00000 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 3S 0.00001 -0.00039 -0.00108 0.00001 -0.00005 96 3PX 0.00004 -0.00053 -0.00079 0.00000 -0.00001 97 3PY 0.00000 -0.00002 -0.00007 -0.00005 0.00000 98 3PZ 0.00000 -0.00005 -0.00012 0.00000 -0.00009 99 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 106 2S 0.00000 -0.00013 0.00001 0.00002 0.00015 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 158 2PX 0.00000 0.00000 0.00000 0.00001 -0.00001 159 2PY 0.00000 0.00000 -0.00001 0.00001 -0.00002 160 2PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 161 3S 0.00002 -0.00037 -0.00062 -0.00021 -0.00092 162 3PX 0.00001 -0.00024 -0.00012 0.00025 -0.00040 163 3PY 0.00001 -0.00016 -0.00019 0.00008 -0.00084 164 3PZ 0.00001 -0.00011 -0.00045 -0.00049 -0.00021 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00019 175 2PX 0.00000 -0.00006 0.00003 0.00000 -0.00015 176 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 177 2PZ 0.00000 -0.00014 -0.00024 0.00000 -0.00041 178 3S 0.00002 -0.00043 0.00042 -0.00003 -0.00137 179 3PX 0.00005 -0.00092 0.00030 0.00002 -0.00137 180 3PY 0.00000 -0.00005 -0.00004 0.00020 -0.00023 181 3PZ 0.00005 -0.00076 0.00015 -0.00005 -0.00093 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00001 0.00003 0.00000 0.00004 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00001 0.00002 0.00000 0.00004 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 0.00012 0.00001 0.00030 36 37 38 39 40 36 3S 0.31481 37 3PX 0.00000 0.08490 38 3PY 0.00000 0.00000 0.08670 39 3PZ 0.00000 0.00000 0.00000 0.08712 40 4XX 0.00109 0.00000 0.00000 0.00000 0.00162 41 4YY -0.00319 0.00000 0.00000 0.00000 -0.00014 42 4ZZ -0.00163 0.00000 0.00000 0.00000 -0.00022 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 H 1S 0.02802 0.00417 0.00742 0.05091 -0.00098 47 2S -0.00683 0.00443 0.00682 0.05333 -0.00296 48 5 H 1S 0.03344 0.05362 0.00734 0.00132 0.00554 49 2S 0.00990 0.05231 0.00661 0.00165 0.00563 50 6 C 1S 0.00033 0.00000 -0.00139 0.00000 0.00000 51 2S 0.00285 0.00000 0.02002 -0.00002 -0.00024 52 2PX 0.00000 -0.00176 -0.00001 0.00000 0.00000 53 2PY 0.02715 0.00000 0.03409 0.00002 -0.00059 54 2PZ 0.00000 0.00000 -0.00003 -0.00106 0.00000 55 3S -0.01092 0.00000 0.01544 -0.00001 -0.00144 56 3PX 0.00000 -0.00439 -0.00001 0.00000 0.00000 57 3PY 0.01619 0.00001 0.01481 0.00005 -0.00141 58 3PZ 0.00002 0.00000 -0.00005 -0.00300 0.00000 59 4XX -0.00132 0.00000 -0.00134 0.00000 0.00000 60 4YY 0.00377 0.00000 0.00187 0.00000 0.00000 61 4ZZ -0.00070 0.00000 -0.00138 0.00000 0.00000 62 4XY 0.00000 0.00074 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00074 0.00000 65 7 H 1S -0.00128 -0.00001 -0.00262 -0.00132 0.00000 66 2S -0.00248 -0.00011 -0.00853 -0.00421 0.00021 67 8 H 1S -0.00225 -0.00145 -0.00182 -0.00002 -0.00001 68 2S -0.00966 -0.00404 -0.00565 -0.00050 -0.00010 69 9 H 1S 0.00008 0.00000 0.00023 0.00000 0.00000 70 2S 0.00130 0.00007 0.00302 0.00013 0.00000 71 10 H 1S -0.00434 -0.00196 -0.00111 -0.00144 0.00000 72 2S -0.01674 -0.00637 -0.00496 -0.00477 -0.00018 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S -0.00005 -0.00001 0.00001 0.00000 0.00000 75 2PX -0.00068 -0.00016 0.00002 0.00002 0.00000 76 2PY 0.00007 0.00000 -0.00003 0.00001 0.00000 77 2PZ -0.00003 0.00000 0.00001 -0.00004 0.00000 78 3S -0.00105 -0.00018 -0.00032 0.00007 0.00001 79 3PX -0.00496 -0.00068 0.00040 0.00011 0.00003 80 3PY 0.00097 -0.00013 -0.00008 -0.00001 0.00000 81 3PZ -0.00023 0.00000 0.00000 -0.00015 0.00000 82 4XX -0.00001 0.00002 0.00001 0.00000 0.00000 83 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 84 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 85 4XY -0.00001 0.00000 0.00001 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00002 -0.00002 0.00000 -0.00001 0.00000 89 2S 0.00061 -0.00021 -0.00004 -0.00019 0.00001 90 13 C 1S 0.00002 0.00005 0.00000 0.00000 0.00000 91 2S -0.00057 -0.00093 0.00001 -0.00003 0.00000 92 2PX -0.00081 0.00002 0.00007 -0.00007 0.00002 93 2PY -0.00002 -0.00002 -0.00013 0.00000 0.00000 94 2PZ -0.00003 -0.00004 0.00000 -0.00013 0.00000 95 3S -0.00287 -0.00339 0.00010 -0.00018 0.00014 96 3PX -0.00337 0.00038 0.00016 -0.00017 0.00043 97 3PY -0.00007 -0.00010 -0.00048 -0.00001 0.00001 98 3PZ -0.00022 -0.00019 0.00001 -0.00044 0.00003 99 4XX 0.00001 0.00012 0.00000 0.00001 0.00000 100 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4ZZ 0.00001 -0.00003 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00001 0.00001 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S -0.00037 -0.00027 -0.00007 -0.00023 0.00000 106 2S -0.00177 0.00005 0.00005 -0.00020 -0.00009 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00000 0.00001 0.00000 0.00000 113 3PX 0.00007 0.00001 0.00001 0.00000 0.00000 114 3PY 0.00001 0.00002 0.00001 0.00000 0.00000 115 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00012 0.00001 0.00000 0.00000 128 3PX 0.00014 -0.00006 0.00003 0.00005 0.00000 129 3PY -0.00002 -0.00003 0.00000 0.00000 0.00000 130 3PZ -0.00003 0.00000 0.00000 0.00005 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 143 3PX 0.00001 0.00001 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 157 2S -0.00043 -0.00017 -0.00024 -0.00026 0.00000 158 2PX -0.00013 -0.00003 0.00041 -0.00002 0.00000 159 2PY -0.00035 -0.00040 0.00008 -0.00044 0.00000 160 2PZ -0.00038 0.00010 -0.00090 -0.00007 0.00000 161 3S -0.00470 -0.00264 -0.00127 -0.00349 -0.00001 162 3PX -0.00084 0.00003 0.00175 -0.00034 0.00002 163 3PY -0.00216 -0.00094 -0.00004 -0.00233 -0.00005 164 3PZ -0.00139 -0.00114 -0.00236 -0.00073 -0.00003 165 4XX 0.00002 0.00001 0.00000 0.00002 0.00000 166 4YY 0.00003 -0.00001 0.00004 -0.00002 0.00000 167 4ZZ -0.00003 0.00002 -0.00006 0.00000 0.00000 168 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00001 0.00000 -0.00001 0.00001 0.00000 170 4YZ -0.00001 -0.00002 0.00000 -0.00003 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 -0.00002 -0.00001 -0.00009 0.00000 173 22 C 1S 0.00004 0.00004 0.00000 0.00013 0.00000 174 2S -0.00073 -0.00084 0.00004 -0.00230 0.00000 175 2PX -0.00199 -0.00001 0.00005 -0.00041 -0.00001 176 2PY 0.00002 0.00004 0.00013 -0.00002 0.00000 177 2PZ -0.00164 -0.00262 0.00009 -0.00350 0.00001 178 3S 0.00184 0.00117 0.00008 -0.00152 -0.00002 179 3PX -0.00706 -0.00004 0.00011 -0.00079 -0.00023 180 3PY -0.00024 -0.00003 0.00114 -0.00035 -0.00001 181 3PZ 0.00168 -0.00067 -0.00001 -0.00184 0.00017 182 4XX 0.00006 0.00003 0.00000 0.00015 0.00000 183 4YY -0.00013 -0.00008 0.00000 -0.00014 0.00000 184 4ZZ 0.00023 0.00024 0.00000 0.00026 0.00000 185 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 186 4XZ 0.00008 0.00004 0.00000 0.00017 0.00000 187 4YZ -0.00001 -0.00001 -0.00006 -0.00001 0.00000 188 23 H 1S 0.00008 0.00009 0.00001 0.00014 0.00000 189 2S 0.00144 0.00122 0.00015 0.00220 0.00000 41 42 43 44 45 41 4YY 0.00122 42 4ZZ -0.00008 0.00152 43 4XY 0.00000 0.00000 0.00092 44 4XZ 0.00000 0.00000 0.00000 0.00068 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00092 46 4 H 1S -0.00079 0.00469 0.00016 0.00102 0.00197 47 2S -0.00112 0.00547 0.00005 0.00022 0.00044 48 5 H 1S -0.00088 -0.00094 0.00177 0.00029 0.00003 49 2S -0.00164 -0.00273 0.00039 0.00005 0.00001 50 6 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 51 2S 0.00253 -0.00021 0.00000 0.00000 0.00000 52 2PX 0.00000 0.00000 0.00111 0.00000 0.00000 53 2PY 0.00253 -0.00062 0.00000 0.00000 0.00000 54 2PZ 0.00000 0.00000 0.00000 0.00000 0.00106 55 3S 0.00381 -0.00060 0.00000 0.00000 0.00000 56 3PX 0.00000 0.00000 0.00079 0.00000 0.00000 57 3PY 0.00191 -0.00135 0.00000 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.00000 0.00068 59 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 60 4YY -0.00003 -0.00002 0.00000 0.00000 0.00000 61 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 62 4XY 0.00000 0.00000 -0.00014 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00015 65 7 H 1S 0.00002 0.00000 0.00000 0.00000 0.00006 66 2S -0.00016 -0.00004 0.00001 0.00000 0.00029 67 8 H 1S 0.00003 0.00000 0.00006 0.00000 0.00001 68 2S -0.00004 0.00023 0.00029 0.00000 0.00004 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 10 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00002 72 2S 0.00064 -0.00017 0.00005 -0.00006 0.00005 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00000 0.00000 0.00000 0.00000 0.00000 79 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 80 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 81 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 3S -0.00001 -0.00003 0.00000 0.00000 0.00000 96 3PX -0.00008 -0.00011 0.00000 0.00000 0.00000 97 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 98 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00001 0.00005 0.00000 0.00001 0.00000 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00001 0.00003 0.00001 -0.00003 0.00000 162 3PX -0.00003 -0.00002 0.00001 0.00000 0.00000 163 3PY 0.00003 0.00002 0.00000 -0.00003 0.00001 164 3PZ -0.00001 0.00006 0.00001 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00002 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00006 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00004 0.00000 0.00003 0.00000 178 3S -0.00007 0.00018 0.00000 0.00001 0.00000 179 3PX 0.00001 0.00049 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00002 -0.00002 0.00000 -0.00005 181 3PZ -0.00010 0.00004 0.00000 0.00008 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 H 1S 0.21761 47 2S 0.12035 0.17990 48 5 H 1S -0.00052 -0.00868 0.21483 49 2S -0.00827 -0.02658 0.11258 0.15748 50 6 C 1S 0.00000 0.00010 0.00000 0.00014 2.05094 51 2S -0.00011 -0.00179 -0.00014 -0.00236 -0.01173 52 2PX -0.00002 -0.00034 -0.00014 -0.00161 0.00000 53 2PY -0.00032 -0.00465 -0.00034 -0.00507 0.00000 54 2PZ -0.00012 -0.00159 -0.00001 -0.00013 0.00000 55 3S -0.00131 -0.00257 -0.00222 -0.00960 -0.03471 56 3PX -0.00006 -0.00051 -0.00145 -0.00411 0.00000 57 3PY -0.00260 -0.00724 -0.00205 -0.00765 0.00000 58 3PZ -0.00131 -0.00407 -0.00002 -0.00027 0.00000 59 4XX 0.00000 0.00027 -0.00001 -0.00006 -0.00131 60 4YY 0.00002 -0.00015 0.00003 -0.00005 -0.00123 61 4ZZ 0.00000 -0.00009 0.00000 0.00018 -0.00141 62 4XY 0.00001 0.00004 0.00006 0.00029 0.00000 63 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 64 4YZ 0.00006 0.00030 0.00000 0.00002 0.00000 65 7 H 1S -0.00003 -0.00166 0.00000 0.00038 -0.00169 66 2S -0.00159 -0.00805 0.00044 0.00377 -0.00069 67 8 H 1S 0.00000 0.00042 -0.00005 -0.00182 -0.00162 68 2S 0.00037 0.00411 -0.00189 -0.00680 -0.00044 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00017 0.00000 -0.00010 0.00017 71 10 H 1S -0.00001 -0.00039 0.00000 -0.00019 0.00000 72 2S -0.00034 -0.00011 -0.00010 -0.00063 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00003 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00013 0.00000 0.00001 0.00000 76 2PY 0.00000 -0.00004 0.00000 0.00000 0.00000 77 2PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 78 3S 0.00003 0.00043 0.00000 0.00004 0.00001 79 3PX 0.00001 0.00120 0.00000 0.00027 0.00004 80 3PY -0.00004 -0.00077 0.00000 0.00001 0.00000 81 3PZ -0.00001 -0.00023 0.00000 0.00002 0.00000 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 89 2S -0.00003 -0.00058 0.00000 0.00001 0.00000 90 13 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 91 2S 0.00000 -0.00013 0.00000 0.00002 0.00000 92 2PX -0.00002 -0.00051 0.00000 0.00010 0.00000 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00020 0.00000 0.00000 0.00000 95 3S -0.00065 -0.00269 0.00001 0.00044 0.00000 96 3PX -0.00057 -0.00150 0.00003 0.00115 0.00001 97 3PY -0.00020 -0.00072 0.00000 0.00010 0.00000 98 3PZ 0.00014 0.00057 0.00000 0.00009 0.00000 99 4XX 0.00000 -0.00005 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00003 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S -0.00001 0.00086 0.00000 0.00000 0.00000 106 2S 0.00100 0.00766 -0.00001 -0.00027 0.00000 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 113 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00007 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00019 0.00000 -0.00002 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 -0.00007 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 144 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00007 0.00000 159 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 160 2PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 161 3S 0.00001 0.00041 0.00003 0.00044 0.00002 162 3PX 0.00000 0.00000 0.00006 0.00111 0.00006 163 3PY 0.00002 0.00039 -0.00002 -0.00032 0.00000 164 3PZ 0.00002 0.00026 0.00003 -0.00004 0.00006 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00002 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00017 0.00000 -0.00002 0.00000 175 2PX 0.00000 0.00020 0.00000 -0.00050 0.00000 176 2PY 0.00000 0.00003 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00022 0.00000 0.00020 0.00000 178 3S 0.00007 0.00101 -0.00009 -0.00084 0.00002 179 3PX 0.00008 0.00139 -0.00062 -0.00309 0.00001 180 3PY 0.00005 0.00051 -0.00001 -0.00002 0.00001 181 3PZ 0.00005 -0.00003 0.00003 0.00017 0.00001 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00003 0.00000 0.00001 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 -0.00003 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00022 0.00000 -0.00004 0.00000 51 52 53 54 55 51 2S 0.30662 52 2PX 0.00000 0.39989 53 2PY 0.00000 0.00000 0.38144 54 2PZ 0.00000 0.00000 0.00000 0.39974 55 3S 0.23063 0.00000 0.00000 0.00000 0.31876 56 3PX 0.00000 0.10777 0.00000 0.00000 0.00000 57 3PY 0.00000 0.00000 0.10013 0.00000 0.00000 58 3PZ 0.00000 0.00000 0.00000 0.09976 0.00000 59 4XX -0.00208 0.00000 0.00000 0.00000 -0.00031 60 4YY -0.00374 0.00000 0.00000 0.00000 -0.00325 61 4ZZ -0.00017 0.00000 0.00000 0.00000 -0.00020 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.02797 0.00120 0.01152 0.08414 0.03086 66 2S 0.01124 0.00104 0.00741 0.05539 0.00155 67 8 H 1S 0.02677 0.07786 0.00941 0.01036 0.03166 68 2S 0.00858 0.05172 0.00535 0.00650 0.00393 69 9 H 1S -0.00012 -0.00016 -0.00028 -0.00011 -0.00433 70 2S -0.00245 -0.00271 -0.00448 -0.00174 -0.01673 71 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 72 2S 0.00006 0.00003 0.00028 0.00002 0.00135 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 74 2S 0.00000 -0.00002 0.00000 0.00000 -0.00056 75 2PX -0.00003 -0.00009 0.00000 0.00000 -0.00073 76 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 77 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 78 3S -0.00038 -0.00101 0.00001 -0.00004 -0.00287 79 3PX -0.00055 -0.00107 -0.00001 -0.00001 -0.00323 80 3PY -0.00001 -0.00007 -0.00005 0.00000 -0.00006 81 3PZ -0.00004 -0.00012 0.00000 -0.00009 -0.00020 82 4XX 0.00000 0.00001 0.00000 0.00000 0.00002 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00033 89 2S -0.00012 0.00005 0.00002 0.00018 -0.00156 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 92 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00070 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00005 94 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 95 3S -0.00006 -0.00016 -0.00003 0.00001 -0.00111 96 3PX -0.00043 -0.00059 -0.00002 0.00002 -0.00508 97 3PY 0.00004 -0.00007 -0.00001 0.00000 0.00095 98 3PZ -0.00001 -0.00002 -0.00001 -0.00002 -0.00020 99 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 102 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 106 2S 0.00002 0.00000 -0.00001 -0.00002 0.00070 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00003 113 3PX 0.00000 0.00001 0.00000 0.00000 0.00014 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 115 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00001 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00007 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 130 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00002 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 157 2S -0.00004 -0.00006 0.00000 -0.00017 -0.00067 158 2PX -0.00006 0.00005 0.00000 -0.00016 -0.00213 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 160 2PZ -0.00015 -0.00028 0.00000 -0.00036 -0.00149 161 3S -0.00052 0.00032 -0.00001 -0.00154 0.00209 162 3PX -0.00096 0.00035 0.00001 -0.00165 -0.00750 163 3PY -0.00003 -0.00003 0.00014 -0.00011 -0.00014 164 3PZ -0.00084 -0.00014 -0.00002 -0.00127 0.00210 165 4XX 0.00000 0.00000 0.00000 0.00001 0.00005 166 4YY 0.00000 0.00000 0.00000 0.00000 -0.00012 167 4ZZ 0.00001 0.00003 0.00000 0.00004 0.00022 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00001 0.00002 0.00000 0.00004 0.00007 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00008 172 2S 0.00009 0.00014 0.00001 0.00025 0.00140 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 174 2S 0.00000 0.00000 0.00000 -0.00001 -0.00041 175 2PX -0.00001 0.00000 0.00001 -0.00001 -0.00012 176 2PY 0.00000 -0.00001 0.00001 -0.00002 -0.00031 177 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00037 178 3S -0.00040 -0.00070 -0.00021 -0.00073 -0.00476 179 3PX -0.00026 -0.00013 0.00021 -0.00034 -0.00083 180 3PY -0.00015 -0.00022 0.00009 -0.00073 -0.00202 181 3PZ -0.00015 -0.00051 -0.00052 -0.00009 -0.00159 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00003 184 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00004 185 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 3PX 0.09306 57 3PY 0.00000 0.08810 58 3PZ 0.00000 0.00000 0.08087 59 4XX 0.00000 0.00000 0.00000 0.00154 60 4YY 0.00000 0.00000 0.00000 -0.00011 0.00123 61 4ZZ 0.00000 0.00000 0.00000 -0.00021 -0.00011 62 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 63 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 7 H 1S 0.00074 0.00769 0.05227 -0.00096 -0.00082 66 2S 0.00110 0.00750 0.05193 -0.00303 -0.00130 67 8 H 1S 0.05256 0.00673 0.00539 0.00460 -0.00087 68 2S 0.05370 0.00553 0.00506 0.00514 -0.00152 69 9 H 1S -0.00193 -0.00119 -0.00146 0.00000 0.00004 70 2S -0.00640 -0.00536 -0.00454 -0.00016 0.00065 71 10 H 1S 0.00000 0.00023 0.00000 0.00000 0.00000 72 2S 0.00010 0.00298 0.00013 0.00000 0.00000 73 11 C 1S 0.00005 0.00000 0.00000 0.00000 0.00000 74 2S -0.00082 0.00001 -0.00001 0.00000 0.00000 75 2PX -0.00021 0.00005 0.00000 0.00002 0.00000 76 2PY -0.00002 -0.00011 0.00000 0.00000 0.00000 77 2PZ -0.00006 0.00000 -0.00017 0.00000 0.00000 78 3S -0.00335 0.00009 -0.00009 0.00014 -0.00001 79 3PX -0.00027 0.00012 0.00001 0.00044 -0.00009 80 3PY -0.00011 -0.00041 0.00000 0.00001 0.00000 81 3PZ -0.00024 0.00000 -0.00076 0.00002 0.00000 82 4XX 0.00010 0.00000 0.00001 0.00000 0.00000 83 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 84 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S -0.00012 -0.00006 -0.00018 0.00000 0.00000 89 2S 0.00079 0.00004 -0.00013 -0.00009 0.00001 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00001 0.00001 0.00001 0.00000 0.00000 92 2PX -0.00019 -0.00001 0.00004 0.00000 0.00000 93 2PY -0.00002 -0.00002 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00001 -0.00007 0.00000 0.00000 95 3S -0.00032 -0.00032 0.00008 0.00001 0.00000 96 3PX -0.00065 0.00039 0.00019 0.00003 -0.00001 97 3PY -0.00022 -0.00007 -0.00003 0.00000 0.00000 98 3PZ -0.00002 -0.00001 -0.00038 0.00000 0.00000 99 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 100 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S -0.00001 0.00000 -0.00001 0.00000 0.00000 106 2S -0.00022 -0.00003 -0.00023 0.00001 0.00000 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00014 0.00001 0.00000 0.00000 0.00000 113 3PX 0.00008 0.00002 0.00008 0.00000 0.00000 114 3PY -0.00002 0.00000 0.00000 0.00000 0.00000 115 3PZ -0.00003 0.00000 0.00005 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00001 0.00000 0.00000 0.00000 128 3PX 0.00003 0.00002 0.00001 0.00000 0.00000 129 3PY 0.00002 0.00001 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00004 0.00000 0.00010 0.00000 0.00000 157 2S -0.00084 0.00002 -0.00174 0.00000 0.00000 158 2PX 0.00022 0.00003 -0.00047 -0.00001 0.00000 159 2PY 0.00002 0.00012 0.00000 0.00000 0.00000 160 2PZ -0.00324 0.00005 -0.00221 0.00001 0.00000 161 3S 0.00134 0.00006 -0.00120 -0.00003 -0.00007 162 3PX -0.00009 0.00007 -0.00177 -0.00023 0.00002 163 3PY -0.00002 0.00100 -0.00016 0.00000 0.00000 164 3PZ -0.00183 0.00000 -0.00093 0.00016 -0.00010 165 4XX 0.00003 0.00000 0.00013 0.00000 0.00000 166 4YY -0.00007 0.00000 -0.00013 0.00000 0.00000 167 4ZZ 0.00022 0.00000 0.00021 0.00000 0.00000 168 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 169 4XZ 0.00005 0.00000 0.00015 0.00000 0.00000 170 4YZ 0.00000 -0.00006 0.00000 0.00000 0.00000 171 21 H 1S 0.00010 0.00002 0.00010 0.00000 0.00000 172 2S 0.00129 0.00018 0.00174 0.00000 0.00000 173 22 C 1S 0.00001 0.00001 0.00001 0.00000 0.00000 174 2S -0.00016 -0.00022 -0.00021 0.00000 0.00000 175 2PX 0.00001 0.00041 0.00001 0.00000 0.00000 176 2PY -0.00038 0.00008 -0.00044 0.00000 0.00000 177 2PZ -0.00002 -0.00086 0.00006 0.00000 0.00000 178 3S -0.00273 -0.00119 -0.00276 0.00000 0.00001 179 3PX 0.00001 0.00167 -0.00032 0.00002 -0.00003 180 3PY -0.00091 -0.00002 -0.00216 -0.00005 0.00003 181 3PZ -0.00152 -0.00233 -0.00017 -0.00002 -0.00001 182 4XX 0.00000 0.00000 0.00002 0.00000 0.00000 183 4YY -0.00001 0.00004 -0.00001 0.00000 0.00000 184 4ZZ 0.00001 -0.00006 -0.00001 0.00000 0.00000 185 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 186 4XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 187 4YZ -0.00003 0.00000 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00002 -0.00001 -0.00009 0.00000 0.00000 61 62 63 64 65 61 4ZZ 0.00154 62 4XY 0.00000 0.00087 63 4XZ 0.00000 0.00000 0.00072 64 4YZ 0.00000 0.00000 0.00000 0.00099 65 7 H 1S 0.00548 0.00001 0.00010 0.00195 0.21587 66 2S 0.00570 0.00001 0.00001 0.00043 0.11588 67 8 H 1S -0.00089 0.00166 0.00144 0.00020 -0.00052 68 2S -0.00237 0.00036 0.00031 0.00005 -0.00785 69 9 H 1S -0.00001 0.00002 0.00000 0.00002 0.00000 70 2S -0.00019 0.00005 -0.00006 0.00004 -0.00024 71 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 0.00000 0.00000 0.00000 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 74 2S 0.00000 0.00000 0.00000 0.00000 0.00000 75 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 76 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S -0.00003 0.00000 0.00000 0.00000 -0.00031 79 3PX -0.00011 0.00000 0.00001 0.00000 -0.00039 80 3PY 0.00000 -0.00001 0.00000 0.00000 -0.00010 81 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00005 82 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00005 0.00000 0.00001 0.00000 0.00064 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 3S 0.00000 0.00000 0.00000 0.00000 0.00002 96 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 97 3PY -0.00001 0.00000 0.00000 0.00000 -0.00002 98 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00002 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00006 0.00000 0.00001 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00004 0.00000 0.00003 0.00000 0.00000 161 3S 0.00017 0.00000 0.00003 0.00000 0.00004 162 3PX 0.00049 0.00000 0.00001 0.00000 0.00006 163 3PY 0.00001 -0.00002 0.00000 -0.00005 0.00003 164 3PZ 0.00005 0.00000 0.00007 0.00000 0.00006 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S -0.00002 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00003 0.00001 -0.00003 0.00000 0.00001 179 3PX -0.00001 0.00000 -0.00001 0.00000 0.00000 180 3PY 0.00002 0.00000 -0.00002 0.00002 0.00001 181 3PZ 0.00006 0.00002 0.00000 -0.00001 0.00001 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.16633 67 8 H 1S -0.00881 0.21549 68 2S -0.02589 0.11420 0.16302 69 9 H 1S -0.00039 0.00000 -0.00013 0.21688 70 2S -0.00089 -0.00012 0.00010 0.11502 0.16303 71 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S -0.00015 0.00000 -0.00010 0.00000 0.00000 73 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 74 2S -0.00007 0.00000 0.00002 0.00000 -0.00013 75 2PX -0.00040 0.00000 0.00012 -0.00001 -0.00054 76 2PY 0.00000 0.00000 0.00000 -0.00001 -0.00046 77 2PZ 0.00013 0.00000 0.00001 0.00000 -0.00020 78 3S -0.00163 0.00001 0.00048 -0.00045 -0.00280 79 3PX -0.00182 0.00004 0.00137 -0.00066 -0.00291 80 3PY -0.00046 0.00000 0.00011 0.00017 0.00041 81 3PZ 0.00041 0.00000 0.00015 -0.00012 -0.00082 82 4XX -0.00003 0.00000 0.00000 0.00000 -0.00002 83 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 84 4ZZ 0.00002 0.00000 0.00000 0.00000 -0.00001 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 88 12 H 1S 0.00047 0.00000 0.00000 0.00000 -0.00013 89 2S 0.00538 -0.00001 -0.00027 -0.00008 0.00015 90 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 91 2S 0.00002 0.00000 0.00000 0.00000 0.00001 92 2PX 0.00004 0.00000 0.00001 0.00000 0.00000 93 2PY -0.00002 0.00000 0.00000 0.00000 0.00004 94 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 95 3S 0.00021 0.00000 0.00005 0.00001 0.00041 96 3PX 0.00058 0.00000 0.00032 0.00000 0.00008 97 3PY -0.00046 0.00000 0.00001 0.00003 0.00036 98 3PZ -0.00008 0.00000 0.00003 0.00000 0.00003 99 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 100 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 106 2S -0.00039 0.00000 0.00001 0.00000 -0.00004 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00004 109 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00004 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00004 0.00000 -0.00001 -0.00001 0.00034 113 3PX 0.00011 0.00000 -0.00002 -0.00002 -0.00005 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00026 115 3PZ -0.00004 0.00000 0.00000 0.00000 0.00002 116 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 129 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 143 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 144 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00019 157 2S 0.00012 0.00000 -0.00005 -0.00019 -0.00284 158 2PX 0.00016 -0.00001 -0.00070 0.00000 0.00007 159 2PY 0.00002 0.00000 0.00000 -0.00048 -0.00655 160 2PZ 0.00020 0.00000 0.00018 -0.00026 -0.00307 161 3S 0.00074 -0.00017 -0.00105 -0.00400 -0.01353 162 3PX 0.00121 -0.00109 -0.00378 0.00003 0.00027 163 3PY 0.00032 -0.00002 -0.00003 -0.00008 -0.00234 164 3PZ 0.00034 0.00001 -0.00013 -0.00163 -0.00528 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00009 0.00097 167 4ZZ -0.00002 0.00000 0.00000 -0.00003 -0.00058 168 4XY 0.00000 0.00000 -0.00001 0.00000 0.00001 169 4XZ 0.00000 0.00000 -0.00004 0.00000 -0.00001 170 4YZ 0.00000 0.00000 0.00000 0.00007 0.00017 171 21 H 1S 0.00000 0.00000 0.00000 -0.00002 -0.00107 172 2S -0.00015 0.00000 -0.00009 -0.00105 -0.00567 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00002 0.00000 0.00013 175 2PX 0.00000 0.00000 0.00014 0.00000 0.00000 176 2PY 0.00000 0.00000 -0.00002 0.00000 0.00051 177 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00004 178 3S 0.00025 0.00006 0.00084 0.00014 0.00201 179 3PX 0.00000 0.00008 0.00173 0.00000 -0.00002 180 3PY 0.00025 -0.00003 -0.00042 0.00033 0.00378 181 3PZ 0.00021 0.00005 -0.00004 -0.00001 0.00012 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00000 -0.00001 0.00000 -0.00014 71 72 73 74 75 71 10 H 1S 0.21689 72 2S 0.11509 0.16325 73 11 C 1S 0.00000 0.00000 2.05260 74 2S 0.00000 0.00001 -0.01386 0.33250 75 2PX 0.00000 0.00000 0.00000 0.00000 0.35390 76 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 77 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 3S 0.00001 0.00039 -0.03168 0.22127 0.00000 79 3PX 0.00000 0.00006 0.00000 0.00000 0.10350 80 3PY 0.00003 0.00038 0.00000 0.00000 0.00000 81 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 82 4XX 0.00000 0.00000 -0.00098 -0.00822 0.00000 83 4YY 0.00000 0.00000 -0.00135 -0.00097 0.00000 84 4ZZ 0.00000 0.00000 -0.00120 -0.00384 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.00000 0.00000 -0.00228 0.03690 0.00797 89 2S 0.00000 -0.00004 -0.00158 0.01895 0.00296 90 13 C 1S 0.00000 0.00001 0.00000 -0.00066 0.00000 91 2S 0.00000 -0.00014 -0.00066 0.01406 -0.00001 92 2PX -0.00001 -0.00060 0.00000 0.00001 0.01690 93 2PY -0.00001 -0.00047 -0.00299 0.04393 0.00001 94 2PZ 0.00000 -0.00023 0.00000 -0.00004 0.00000 95 3S -0.00046 -0.00302 0.00022 0.00863 -0.00002 96 3PX -0.00066 -0.00308 0.00000 0.00000 0.02509 97 3PY 0.00016 0.00027 -0.00027 0.01069 0.00001 98 3PZ -0.00013 -0.00095 0.00001 -0.00009 0.00000 99 4XX 0.00000 -0.00003 0.00000 -0.00058 0.00000 100 4YY 0.00000 0.00005 -0.00028 0.00371 0.00000 101 4ZZ 0.00000 -0.00001 0.00000 -0.00072 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00216 103 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00001 0.00000 0.00001 0.00000 105 14 H 1S 0.00000 -0.00013 0.00000 -0.00021 -0.00002 106 2S -0.00007 0.00028 0.00025 -0.00407 -0.00035 107 15 O 1S 0.00000 0.00000 0.00000 -0.00007 -0.00042 108 2S 0.00000 0.00000 -0.00002 0.00123 0.00794 109 2PX 0.00000 0.00000 -0.00023 0.01161 0.01472 110 2PY 0.00000 0.00000 -0.00005 0.00241 0.00514 111 2PZ 0.00000 0.00000 -0.00013 0.00557 0.01992 112 3S 0.00000 0.00000 0.00038 -0.00411 0.00780 113 3PX 0.00000 -0.00001 -0.00204 0.02119 0.00867 114 3PY 0.00000 0.00000 -0.00081 0.00731 0.00683 115 3PZ 0.00000 0.00000 -0.00124 0.01033 0.02114 116 4XX 0.00000 0.00000 -0.00006 0.00081 -0.00106 117 4YY 0.00000 0.00000 -0.00001 0.00014 0.00051 118 4ZZ 0.00000 0.00000 -0.00002 0.00022 0.00130 119 4XY 0.00000 0.00000 -0.00007 0.00083 0.00076 120 4XZ 0.00000 0.00000 -0.00016 0.00146 0.00066 121 4YZ 0.00000 0.00000 -0.00005 0.00046 0.00137 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00004 0.00000 -0.00003 -0.00003 124 2PX 0.00000 0.00001 0.00000 -0.00004 0.00007 125 2PY 0.00000 0.00004 0.00000 -0.00017 -0.00008 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 127 3S -0.00001 0.00038 -0.00001 -0.00010 -0.00116 128 3PX -0.00001 0.00007 0.00003 -0.00090 0.00052 129 3PY 0.00000 0.00024 0.00012 -0.00334 -0.00151 130 3PZ 0.00000 0.00004 -0.00001 0.00028 -0.00160 131 4XX 0.00000 -0.00001 0.00000 0.00000 -0.00001 132 4YY 0.00000 0.00000 0.00000 -0.00003 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 134 4XY 0.00000 0.00000 0.00000 0.00002 0.00002 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00001 0.00001 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 -0.00017 -0.00052 139 2PX 0.00000 0.00000 0.00000 -0.00050 -0.00057 140 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00032 141 2PZ 0.00000 0.00000 0.00000 -0.00019 -0.00047 142 3S 0.00000 -0.00001 0.00010 -0.00108 -0.00376 143 3PX 0.00000 -0.00002 0.00029 -0.00352 0.00031 144 3PY 0.00000 -0.00003 0.00003 -0.00048 -0.00197 145 3PZ 0.00000 0.00000 0.00009 -0.00102 -0.00143 146 4XX 0.00000 0.00000 0.00000 0.00003 0.00016 147 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00007 148 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00010 149 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 150 4XZ 0.00000 0.00000 0.00000 0.00002 0.00013 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00006 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 -0.00001 0.00018 0.00049 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00000 0.00000 -0.00004 0.00100 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00014 0.00000 0.00000 -0.00001 158 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00002 159 2PY 0.00000 0.00052 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00003 0.00000 -0.00002 -0.00003 161 3S 0.00014 0.00206 0.00000 -0.00002 0.00035 162 3PX 0.00000 -0.00002 0.00003 -0.00059 -0.00050 163 3PY 0.00034 0.00384 0.00000 0.00000 0.00000 164 3PZ -0.00001 0.00010 0.00002 -0.00060 -0.00030 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00014 0.00000 0.00000 0.00003 173 22 C 1S 0.00000 0.00019 0.00000 0.00000 0.00000 174 2S -0.00019 -0.00274 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00009 0.00000 0.00000 -0.00001 176 2PY -0.00049 -0.00668 0.00000 0.00000 0.00000 177 2PZ -0.00025 -0.00285 0.00000 0.00000 -0.00001 178 3S -0.00393 -0.01326 0.00000 0.00000 -0.00009 179 3PX 0.00004 0.00031 0.00001 -0.00029 -0.00048 180 3PY 0.00003 -0.00213 0.00000 -0.00003 -0.00024 181 3PZ -0.00154 -0.00508 0.00001 -0.00023 -0.00085 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00009 0.00100 0.00000 0.00000 0.00000 184 4ZZ -0.00003 -0.00059 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 187 4YZ 0.00006 0.00015 0.00000 0.00000 0.00000 188 23 H 1S -0.00002 -0.00110 0.00000 0.00000 0.00000 189 2S -0.00105 -0.00585 0.00000 0.00000 0.00000 76 77 78 79 80 76 2PY 0.42720 77 2PZ 0.00000 0.37348 78 3S 0.00000 0.00000 0.29829 79 3PX 0.00000 0.00000 0.00000 0.12440 80 3PY 0.06757 0.00000 0.00000 0.00000 0.05446 81 3PZ 0.00000 0.08667 0.00000 0.00000 0.00000 82 4XX 0.00000 0.00000 -0.00570 0.00000 0.00000 83 4YY 0.00000 0.00000 -0.00027 0.00000 0.00000 84 4ZZ 0.00000 0.00000 -0.00298 0.00000 0.00000 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.03757 0.05220 0.05114 0.00328 0.01102 89 2S 0.02241 0.03240 0.03085 -0.00073 0.00754 90 13 C 1S -0.00298 0.00000 0.00022 0.00000 -0.00026 91 2S 0.04386 0.00005 0.00841 0.00000 0.01050 92 2PX -0.00001 0.00000 0.00002 0.02480 -0.00001 93 2PY 0.10302 -0.00011 0.03430 0.00001 0.01764 94 2PZ 0.00014 0.01345 -0.00015 0.00000 0.00009 95 3S 0.03405 0.00016 -0.02057 -0.00002 -0.00448 96 3PX -0.00001 0.00000 0.00002 0.03512 -0.00002 97 3PY 0.01765 -0.00007 -0.00388 0.00001 0.00160 98 3PZ 0.00016 0.01997 -0.00020 0.00000 0.00011 99 4XX -0.00162 0.00000 -0.00086 0.00000 -0.00174 100 4YY 0.00305 0.00001 0.00369 0.00000 0.00133 101 4ZZ -0.00138 0.00000 -0.00218 0.00000 -0.00077 102 4XY 0.00000 0.00000 0.00000 0.00129 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00224 0.00001 0.00000 0.00000 105 14 H 1S -0.00048 0.00001 -0.00438 -0.00015 -0.00395 106 2S -0.00663 -0.00020 -0.01606 -0.00045 -0.00958 107 15 O 1S -0.00007 -0.00030 0.00132 0.00028 -0.00027 108 2S 0.00186 0.00533 -0.02015 -0.00421 0.00290 109 2PX 0.00660 0.01910 0.00358 0.00051 0.00072 110 2PY -0.00073 0.00378 0.00300 -0.00126 0.00453 111 2PZ 0.00368 0.00297 0.00672 0.00772 0.00162 112 3S -0.00266 0.00956 -0.06279 -0.01137 0.00247 113 3PX 0.00747 0.01927 0.00124 -0.00194 -0.00009 114 3PY -0.00468 0.00664 0.00868 -0.00308 0.01087 115 3PZ 0.00448 -0.00184 0.01574 0.00883 0.00312 116 4XX 0.00081 0.00107 0.00152 -0.00127 0.00053 117 4YY 0.00000 0.00044 0.00061 -0.00033 -0.00024 118 4ZZ 0.00050 -0.00045 0.00098 0.00204 0.00016 119 4XY 0.00020 0.00106 0.00018 0.00001 0.00019 120 4XZ 0.00041 0.00007 0.00042 0.00000 0.00004 121 4YZ 0.00013 0.00010 0.00017 0.00021 0.00012 122 16 O 1S 0.00000 0.00000 -0.00013 0.00000 -0.00014 123 2S -0.00007 -0.00003 0.00200 0.00008 0.00146 124 2PX -0.00015 -0.00005 -0.00073 0.00019 -0.00019 125 2PY -0.00033 -0.00006 -0.00425 0.00107 -0.00416 126 2PZ -0.00013 0.00003 0.00025 -0.00126 -0.00158 127 3S 0.00121 -0.00085 0.01262 -0.00132 0.00956 128 3PX -0.00163 -0.00105 -0.00353 -0.00139 0.00013 129 3PY -0.00352 -0.00046 -0.01635 0.00205 -0.01037 130 3PZ -0.00166 -0.00013 0.00191 -0.00493 -0.00508 131 4XX -0.00004 0.00002 0.00004 -0.00009 -0.00019 132 4YY -0.00006 0.00001 -0.00062 0.00005 -0.00056 133 4ZZ -0.00002 0.00000 -0.00011 0.00011 -0.00016 134 4XY 0.00012 0.00000 0.00000 0.00001 0.00010 135 4XZ 0.00001 0.00000 0.00000 0.00000 -0.00002 136 4YZ 0.00006 0.00000 -0.00001 0.00000 -0.00002 137 17 C 1S 0.00000 0.00000 0.00007 0.00023 0.00007 138 2S -0.00020 0.00001 -0.00077 -0.00341 -0.00113 139 2PX -0.00022 -0.00041 -0.00351 -0.00246 -0.00023 140 2PY -0.00001 -0.00024 0.00049 -0.00174 -0.00091 141 2PZ -0.00005 0.00000 -0.00159 -0.00223 0.00018 142 3S -0.00139 -0.00006 0.00111 -0.00716 -0.00267 143 3PX -0.00097 -0.00351 -0.00870 0.00157 0.00032 144 3PY -0.00011 -0.00103 0.00057 -0.00175 0.00003 145 3PZ -0.00016 0.00005 -0.00131 -0.00329 -0.00026 146 4XX -0.00002 0.00008 -0.00024 0.00049 0.00008 147 4YY 0.00000 -0.00003 -0.00018 -0.00061 0.00004 148 4ZZ -0.00001 0.00001 0.00033 0.00059 -0.00007 149 4XY 0.00000 0.00002 0.00002 -0.00015 -0.00008 150 4XZ 0.00000 0.00003 0.00006 0.00008 -0.00003 151 4YZ 0.00000 0.00000 0.00001 0.00010 -0.00002 152 18 H 1S 0.00000 0.00000 0.00021 0.00022 -0.00007 153 2S 0.00002 0.00017 0.00177 0.00189 -0.00023 154 19 H 1S 0.00000 0.00000 -0.00005 0.00032 0.00004 155 2S 0.00005 -0.00012 -0.00217 0.00602 0.00085 156 20 C 1S 0.00000 0.00000 0.00001 0.00002 0.00000 157 2S 0.00000 -0.00002 0.00009 -0.00064 -0.00001 158 2PX 0.00000 0.00000 -0.00035 -0.00033 0.00001 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 160 2PZ 0.00000 -0.00003 0.00020 -0.00152 -0.00002 161 3S 0.00000 0.00010 0.00048 0.00172 0.00000 162 3PX -0.00001 -0.00059 -0.00228 -0.00121 -0.00001 163 3PY 0.00009 0.00001 -0.00001 0.00001 -0.00016 164 3PZ 0.00000 -0.00068 -0.00164 -0.00224 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 -0.00002 -0.00003 0.00000 167 4ZZ 0.00000 0.00000 0.00005 0.00014 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 169 4XZ 0.00000 0.00001 0.00002 0.00005 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 -0.00001 0.00003 0.00001 172 2S 0.00000 0.00005 -0.00033 0.00044 0.00014 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00015 0.00000 -0.00010 175 2PX 0.00000 -0.00002 -0.00017 -0.00053 0.00036 176 2PY 0.00000 0.00000 -0.00003 -0.00022 0.00003 177 2PZ 0.00000 -0.00001 -0.00040 -0.00056 0.00002 178 3S -0.00008 -0.00010 -0.00070 -0.00062 -0.00032 179 3PX 0.00014 -0.00125 -0.00156 -0.00148 0.00178 180 3PY 0.00001 -0.00039 -0.00036 -0.00145 0.00006 181 3PZ 0.00002 -0.00084 -0.00179 -0.00410 0.00118 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00001 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00012 -0.00010 0.00016 81 82 83 84 85 81 3PZ 0.08163 82 4XX 0.00000 0.00256 83 4YY 0.00000 -0.00022 0.00122 84 4ZZ 0.00000 -0.00017 -0.00012 0.00177 85 4XY 0.00000 0.00000 0.00000 0.00000 0.00158 86 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 12 H 1S 0.02375 -0.00138 -0.00046 0.00219 0.00063 89 2S 0.02392 -0.00260 -0.00063 0.00344 0.00014 90 13 C 1S -0.00001 0.00000 -0.00028 0.00000 0.00000 91 2S 0.00009 -0.00057 0.00374 -0.00072 0.00000 92 2PX 0.00000 0.00000 0.00000 0.00000 0.00216 93 2PY -0.00014 -0.00161 0.00304 -0.00139 0.00000 94 2PZ 0.02002 0.00000 -0.00001 0.00000 0.00000 95 3S 0.00020 -0.00086 0.00377 -0.00223 0.00000 96 3PX 0.00000 0.00000 0.00000 0.00000 0.00129 97 3PY -0.00010 -0.00173 0.00135 -0.00085 0.00000 98 3PZ 0.02757 -0.00001 0.00001 0.00000 0.00000 99 4XX 0.00001 0.00004 -0.00004 0.00000 0.00000 100 4YY -0.00001 -0.00004 -0.00006 -0.00004 0.00000 101 4ZZ -0.00001 0.00000 -0.00004 0.00005 0.00000 102 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00098 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00001 0.00000 0.00001 0.00001 0.00001 106 2S 0.00022 0.00021 -0.00031 0.00032 0.00000 107 15 O 1S 0.00045 -0.00004 0.00000 -0.00001 -0.00005 108 2S -0.00590 0.00111 -0.00018 0.00020 0.00089 109 2PX 0.00344 -0.00088 -0.00052 0.00158 0.00037 110 2PY 0.00034 0.00083 0.00016 0.00032 0.00025 111 2PZ -0.00122 0.00390 -0.00024 -0.00067 0.00142 112 3S -0.01071 0.00123 0.00001 0.00055 0.00103 113 3PX 0.00197 -0.00176 -0.00159 0.00385 -0.00001 114 3PY 0.00125 0.00117 -0.00056 0.00066 0.00073 115 3PZ -0.00699 0.00631 -0.00068 -0.00227 0.00091 116 4XX 0.00102 -0.00004 -0.00001 0.00005 0.00002 117 4YY 0.00030 0.00009 -0.00004 0.00003 0.00002 118 4ZZ -0.00055 0.00009 0.00000 -0.00003 0.00002 119 4XY 0.00007 -0.00006 0.00000 0.00004 0.00000 120 4XZ 0.00005 -0.00001 -0.00003 0.00000 0.00003 121 4YZ 0.00001 0.00018 0.00000 -0.00003 -0.00002 122 16 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 123 2S 0.00036 0.00000 0.00000 0.00000 0.00000 124 2PX -0.00007 0.00000 0.00001 0.00000 0.00001 125 2PY 0.00085 0.00000 0.00002 0.00000 0.00001 126 2PZ -0.00026 0.00000 0.00001 0.00000 0.00001 127 3S -0.00033 -0.00004 0.00013 -0.00001 -0.00002 128 3PX -0.00100 -0.00006 0.00010 0.00010 0.00007 129 3PY 0.00297 -0.00001 0.00037 -0.00004 0.00008 130 3PZ -0.00237 0.00005 0.00007 -0.00003 0.00006 131 4XX 0.00017 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00015 0.00000 0.00000 0.00000 0.00001 133 4ZZ -0.00006 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00001 0.00000 0.00001 137 17 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 138 2S 0.00097 0.00004 -0.00001 0.00001 0.00002 139 2PX -0.00080 0.00014 -0.00003 0.00004 0.00007 140 2PY -0.00080 0.00003 0.00000 0.00001 0.00000 141 2PZ 0.00004 0.00005 -0.00001 0.00001 0.00002 142 3S 0.00295 0.00005 -0.00010 0.00007 0.00006 143 3PX -0.00418 0.00006 -0.00021 0.00050 0.00013 144 3PY -0.00045 -0.00002 0.00003 -0.00001 -0.00008 145 3PZ -0.00043 0.00043 -0.00006 -0.00011 0.00001 146 4XX 0.00008 -0.00001 0.00000 0.00001 0.00001 147 4YY -0.00019 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00004 0.00000 0.00000 0.00000 0.00000 149 4XY -0.00007 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00001 0.00002 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 152 18 H 1S 0.00011 0.00000 0.00000 0.00000 0.00000 153 2S 0.00033 0.00004 0.00001 -0.00007 -0.00001 154 19 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 155 2S -0.00068 -0.00023 0.00000 0.00009 0.00002 156 20 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 157 2S -0.00032 0.00000 0.00000 0.00000 0.00000 158 2PX -0.00046 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00009 0.00000 0.00000 0.00000 0.00000 161 3S 0.00064 -0.00004 0.00000 0.00007 0.00000 162 3PX -0.00272 0.00004 -0.00003 0.00008 0.00000 163 3PY 0.00001 0.00000 0.00000 0.00000 -0.00001 164 3PZ -0.00126 -0.00005 -0.00002 0.00014 0.00000 165 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 166 4YY -0.00004 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00012 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00010 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S -0.00004 0.00000 0.00000 0.00000 0.00000 172 2S -0.00037 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S -0.00019 0.00000 0.00000 0.00000 0.00000 175 2PX -0.00082 0.00000 0.00000 0.00000 0.00000 176 2PY -0.00007 0.00000 0.00000 0.00000 0.00000 177 2PZ -0.00080 0.00000 0.00000 0.00000 0.00000 178 3S -0.00037 0.00000 0.00000 0.00001 0.00000 179 3PX -0.00476 -0.00002 0.00000 0.00006 -0.00001 180 3PY -0.00114 -0.00001 0.00000 0.00001 0.00000 181 3PZ -0.00306 -0.00002 -0.00001 0.00005 0.00000 182 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 189 2S 0.00007 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4XZ 0.00158 87 4YZ 0.00000 0.00181 88 12 H 1S 0.00046 0.00355 0.21506 89 2S 0.00008 0.00063 0.10472 0.14235 90 13 C 1S 0.00000 0.00000 0.00000 0.00025 2.05263 91 2S 0.00000 -0.00001 -0.00021 -0.00402 -0.01389 92 2PX 0.00000 0.00000 -0.00002 -0.00034 0.00000 93 2PY 0.00000 0.00000 -0.00047 -0.00663 0.00000 94 2PZ 0.00000 0.00225 0.00001 -0.00024 0.00000 95 3S 0.00000 -0.00001 -0.00437 -0.01595 -0.03171 96 3PX 0.00000 0.00000 -0.00015 -0.00044 0.00000 97 3PY 0.00000 0.00000 -0.00397 -0.00977 0.00000 98 3PZ 0.00000 0.00098 0.00002 0.00023 0.00000 99 4XX 0.00000 0.00000 0.00000 0.00021 -0.00098 100 4YY 0.00000 0.00000 0.00000 -0.00033 -0.00136 101 4ZZ 0.00000 0.00000 0.00001 0.00033 -0.00119 102 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 104 4YZ 0.00000 -0.00018 0.00004 0.00022 0.00000 105 14 H 1S 0.00000 0.00004 0.00000 -0.00010 -0.00228 106 2S 0.00001 0.00022 -0.00012 -0.00001 -0.00153 107 15 O 1S -0.00009 -0.00003 0.00000 0.00013 0.00000 108 2S 0.00164 0.00059 -0.00005 -0.00189 0.00000 109 2PX 0.00275 0.00106 -0.00002 -0.00014 0.00000 110 2PY 0.00127 0.00014 -0.00001 -0.00013 0.00000 111 2PZ 0.00024 0.00002 -0.00014 -0.00397 0.00000 112 3S 0.00116 0.00078 -0.00232 -0.01060 -0.00001 113 3PX 0.00079 0.00059 0.00013 0.00248 0.00003 114 3PY 0.00087 0.00045 -0.00012 -0.00040 0.00012 115 3PZ 0.00000 0.00000 -0.00336 -0.01539 -0.00001 116 4XX 0.00001 -0.00002 0.00002 0.00007 0.00000 117 4YY 0.00011 0.00001 0.00000 0.00015 0.00000 118 4ZZ -0.00002 -0.00001 0.00005 0.00027 0.00000 119 4XY 0.00011 -0.00003 0.00000 0.00002 0.00000 120 4XZ 0.00007 0.00000 0.00005 0.00006 0.00000 121 4YZ 0.00002 0.00000 0.00001 0.00004 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 -0.00002 124 2PX 0.00000 0.00001 0.00000 0.00009 -0.00023 125 2PY 0.00000 0.00001 0.00000 0.00014 -0.00005 126 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00013 127 3S -0.00004 0.00002 0.00001 -0.00003 0.00037 128 3PX 0.00000 0.00009 0.00002 0.00085 -0.00205 129 3PY -0.00004 0.00013 0.00003 0.00112 -0.00076 130 3PZ 0.00000 0.00000 0.00001 -0.00016 -0.00128 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 132 4YY 0.00000 0.00000 0.00000 0.00002 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 135 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 136 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00002 0.00000 0.00019 0.00000 139 2PX 0.00008 0.00005 0.00000 0.00032 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00014 0.00000 141 2PZ 0.00002 0.00001 0.00000 0.00021 0.00000 142 3S -0.00004 0.00007 0.00014 0.00131 0.00010 143 3PX 0.00005 0.00004 0.00027 0.00225 0.00029 144 3PY -0.00008 -0.00005 0.00014 0.00068 0.00003 145 3PZ 0.00000 0.00000 -0.00002 -0.00004 0.00009 146 4XX 0.00002 0.00000 0.00000 0.00003 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 -0.00003 0.00000 149 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 151 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 153 2S -0.00002 0.00000 -0.00001 -0.00030 -0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00002 0.00000 155 2S 0.00001 -0.00001 0.00002 0.00068 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00003 0.00000 158 2PX 0.00001 0.00000 0.00000 -0.00008 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00001 0.00000 0.00000 0.00001 0.00000 161 3S 0.00000 0.00000 0.00002 0.00022 0.00000 162 3PX 0.00008 0.00000 -0.00006 -0.00058 0.00001 163 3PY 0.00000 -0.00002 0.00002 0.00018 0.00000 164 3PZ 0.00008 0.00000 -0.00001 -0.00001 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00010 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 178 3S -0.00001 0.00000 0.00000 0.00013 0.00000 179 3PX 0.00000 -0.00001 0.00001 0.00028 0.00002 180 3PY -0.00001 0.00000 0.00001 0.00023 0.00000 181 3PZ -0.00001 -0.00001 0.00001 0.00041 0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00001 0.00000 91 92 93 94 95 91 2S 0.33264 92 2PX 0.00000 0.35367 93 2PY 0.00000 0.00000 0.42884 94 2PZ 0.00000 0.00000 0.00000 0.37146 95 3S 0.22184 0.00000 0.00000 0.00000 0.30141 96 3PX 0.00000 0.10367 0.00000 0.00000 0.00000 97 3PY 0.00000 0.00000 0.06774 0.00000 0.00000 98 3PZ 0.00000 0.00000 0.00000 0.08657 0.00000 99 4XX -0.00824 0.00000 0.00000 0.00000 -0.00567 100 4YY -0.00080 0.00000 0.00000 0.00000 0.00001 101 4ZZ -0.00405 0.00000 0.00000 0.00000 -0.00332 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.03690 0.00789 0.03937 0.05043 0.05103 106 2S 0.01856 0.00277 0.02336 0.03143 0.02938 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 108 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 109 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00075 110 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00429 111 2PZ 0.00001 -0.00008 -0.00012 0.00003 0.00029 112 3S -0.00011 -0.00113 0.00119 -0.00083 0.01261 113 3PX -0.00089 0.00051 -0.00167 -0.00099 -0.00362 114 3PY -0.00337 -0.00156 -0.00370 -0.00037 -0.01645 115 3PZ 0.00029 -0.00151 -0.00152 -0.00023 0.00202 116 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 117 4YY -0.00003 -0.00001 -0.00005 0.00001 -0.00062 118 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 119 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 121 4YZ 0.00001 0.00001 0.00006 0.00000 0.00000 122 16 O 1S -0.00007 -0.00042 -0.00006 -0.00030 0.00133 123 2S 0.00123 0.00794 0.00172 0.00547 -0.02028 124 2PX 0.01165 0.01480 0.00612 0.01963 0.00337 125 2PY 0.00224 0.00471 -0.00072 0.00361 0.00279 126 2PZ 0.00570 0.02041 0.00351 0.00321 0.00698 127 3S -0.00400 0.00781 -0.00266 0.00958 -0.06323 128 3PX 0.02133 0.00877 0.00694 0.01984 0.00058 129 3PY 0.00689 0.00631 -0.00446 0.00637 0.00812 130 3PZ 0.01067 0.02177 0.00427 -0.00163 0.01650 131 4XX 0.00082 -0.00105 0.00077 0.00112 0.00155 132 4YY 0.00011 0.00043 0.00000 0.00043 0.00056 133 4ZZ 0.00025 0.00139 0.00049 -0.00045 0.00103 134 4XY 0.00078 0.00073 0.00024 0.00102 0.00017 135 4XZ 0.00151 0.00070 0.00039 0.00009 0.00043 136 4YZ 0.00044 0.00132 0.00016 0.00010 0.00016 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 138 2S -0.00017 -0.00051 -0.00021 0.00001 -0.00075 139 2PX -0.00050 -0.00057 -0.00023 -0.00039 -0.00347 140 2PY -0.00005 -0.00034 0.00000 -0.00025 0.00049 141 2PZ -0.00019 -0.00045 -0.00006 0.00001 -0.00159 142 3S -0.00108 -0.00374 -0.00145 -0.00001 0.00117 143 3PX -0.00350 0.00031 -0.00105 -0.00341 -0.00870 144 3PY -0.00051 -0.00204 -0.00008 -0.00108 0.00059 145 3PZ -0.00099 -0.00136 -0.00016 0.00004 -0.00125 146 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00026 147 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 148 4ZZ 0.00002 0.00009 -0.00001 0.00001 0.00033 149 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 150 4XZ 0.00002 0.00013 0.00001 0.00002 0.00006 151 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 153 2S 0.00018 0.00049 0.00002 0.00017 0.00179 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00006 155 2S -0.00004 0.00100 0.00005 -0.00012 -0.00228 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 158 2PX 0.00000 -0.00001 0.00000 -0.00002 -0.00017 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 160 2PZ 0.00000 -0.00001 0.00000 -0.00001 -0.00040 161 3S 0.00000 -0.00012 -0.00008 -0.00012 -0.00089 162 3PX -0.00029 -0.00048 0.00014 -0.00122 -0.00156 163 3PY -0.00003 -0.00027 0.00002 -0.00040 -0.00045 164 3PZ -0.00023 -0.00085 0.00001 -0.00083 -0.00190 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 -0.00001 0.00012 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 174 2S 0.00000 -0.00001 0.00000 -0.00002 0.00007 175 2PX -0.00001 -0.00002 0.00000 0.00000 -0.00032 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ -0.00002 -0.00004 0.00000 -0.00004 0.00014 178 3S -0.00004 0.00037 0.00000 0.00013 0.00044 179 3PX -0.00058 -0.00052 0.00000 -0.00067 -0.00219 180 3PY 0.00000 0.00000 0.00009 0.00000 0.00000 181 3PZ -0.00063 -0.00031 0.00000 -0.00069 -0.00171 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 -0.00002 184 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00006 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 189 2S 0.00001 0.00003 0.00000 0.00005 -0.00024 96 97 98 99 100 96 3PX 0.12507 97 3PY 0.00000 0.05431 98 3PZ 0.00000 0.00000 0.08187 99 4XX 0.00000 0.00000 0.00000 0.00257 100 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 101 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 102 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 103 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00334 0.01173 0.02323 -0.00138 -0.00036 106 2S -0.00089 0.00787 0.02366 -0.00262 -0.00050 107 15 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 108 2S 0.00009 0.00149 0.00033 0.00000 0.00000 109 2PX 0.00018 -0.00020 -0.00007 0.00000 0.00001 110 2PY 0.00104 -0.00431 0.00089 0.00000 0.00002 111 2PZ -0.00121 -0.00144 -0.00032 0.00000 0.00000 112 3S -0.00123 0.00969 -0.00045 -0.00004 0.00013 113 3PX -0.00145 0.00006 -0.00097 -0.00006 0.00011 114 3PY 0.00192 -0.01080 0.00308 -0.00001 0.00039 115 3PZ -0.00471 -0.00461 -0.00259 0.00005 0.00007 116 4XX -0.00010 -0.00019 0.00016 0.00000 0.00000 117 4YY 0.00005 -0.00057 0.00015 0.00000 0.00000 118 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 119 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 120 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 121 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 122 16 O 1S 0.00029 -0.00026 0.00044 -0.00004 0.00000 123 2S -0.00432 0.00283 -0.00585 0.00111 -0.00019 124 2PX 0.00052 0.00065 0.00351 -0.00088 -0.00052 125 2PY -0.00131 0.00468 0.00024 0.00075 0.00017 126 2PZ 0.00780 0.00148 -0.00119 0.00399 -0.00025 127 3S -0.01167 0.00238 -0.01083 0.00123 -0.00010 128 3PX -0.00192 -0.00013 0.00195 -0.00177 -0.00165 129 3PY -0.00311 0.01120 0.00104 0.00105 -0.00051 130 3PZ 0.00888 0.00285 -0.00692 0.00643 -0.00074 131 4XX -0.00127 0.00051 0.00105 -0.00004 -0.00001 132 4YY -0.00039 -0.00022 0.00029 0.00008 -0.00004 133 4ZZ 0.00210 0.00016 -0.00055 0.00010 0.00000 134 4XY 0.00001 0.00021 0.00006 -0.00006 0.00001 135 4XZ 0.00000 0.00004 0.00004 -0.00001 -0.00003 136 4YZ 0.00019 0.00013 0.00000 0.00017 0.00001 137 17 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 138 2S -0.00344 -0.00117 0.00097 0.00004 -0.00001 139 2PX -0.00246 -0.00027 -0.00078 0.00014 -0.00003 140 2PY -0.00183 -0.00084 -0.00085 0.00003 0.00000 141 2PZ -0.00216 0.00016 0.00003 0.00005 -0.00001 142 3S -0.00719 -0.00275 0.00296 0.00005 -0.00009 143 3PX 0.00156 0.00026 -0.00410 0.00006 -0.00021 144 3PY -0.00178 0.00007 -0.00048 -0.00001 0.00003 145 3PZ -0.00321 -0.00025 -0.00046 0.00042 -0.00006 146 4XX 0.00049 0.00008 0.00007 -0.00001 0.00000 147 4YY -0.00060 0.00004 -0.00019 0.00000 0.00000 148 4ZZ 0.00058 -0.00007 0.00004 0.00000 0.00000 149 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 150 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 151 4YZ 0.00011 -0.00002 0.00000 0.00001 0.00000 152 18 H 1S 0.00022 -0.00007 0.00012 0.00000 0.00000 153 2S 0.00191 -0.00023 0.00036 0.00004 0.00001 154 19 H 1S 0.00032 0.00004 0.00001 0.00000 0.00000 155 2S 0.00603 0.00084 -0.00067 -0.00023 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00001 -0.00010 -0.00018 0.00000 0.00000 158 2PX -0.00053 0.00038 -0.00078 0.00000 0.00000 159 2PY -0.00023 0.00004 -0.00009 0.00000 0.00000 160 2PZ -0.00056 0.00001 -0.00074 0.00000 0.00000 161 3S -0.00077 -0.00025 -0.00055 0.00000 0.00000 162 3PX -0.00149 0.00183 -0.00456 -0.00001 0.00000 163 3PY -0.00154 0.00009 -0.00124 -0.00001 0.00000 164 3PZ -0.00412 0.00121 -0.00293 -0.00002 -0.00001 165 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00001 -0.00001 0.00001 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 170 4YZ -0.00001 0.00000 0.00001 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 172 2S -0.00010 0.00017 0.00006 0.00000 0.00000 173 22 C 1S 0.00002 0.00000 0.00004 0.00000 0.00000 174 2S -0.00066 0.00000 -0.00032 0.00000 0.00000 175 2PX -0.00037 0.00000 -0.00044 0.00000 0.00000 176 2PY 0.00000 -0.00004 0.00000 0.00000 0.00000 177 2PZ -0.00163 0.00000 0.00011 0.00000 0.00000 178 3S 0.00174 0.00000 0.00069 -0.00003 0.00000 179 3PX -0.00127 0.00000 -0.00274 0.00004 -0.00003 180 3PY 0.00000 -0.00024 0.00000 0.00000 0.00000 181 3PZ -0.00243 0.00000 -0.00117 -0.00004 -0.00002 182 4XX 0.00000 0.00000 -0.00003 0.00000 0.00000 183 4YY -0.00003 0.00000 -0.00004 0.00000 0.00000 184 4ZZ 0.00014 0.00000 0.00013 0.00000 0.00000 185 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 186 4XZ 0.00004 0.00000 0.00010 0.00000 0.00000 187 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00003 0.00001 -0.00004 0.00000 0.00000 189 2S 0.00047 0.00015 -0.00031 0.00000 0.00000 101 102 103 104 105 101 4ZZ 0.00177 102 4XY 0.00000 0.00157 103 4XZ 0.00000 0.00000 0.00160 104 4YZ 0.00000 0.00000 0.00000 0.00181 105 14 H 1S 0.00200 0.00065 0.00043 0.00364 0.21520 106 2S 0.00330 0.00014 0.00008 0.00065 0.10453 107 15 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 110 2PY 0.00000 0.00001 0.00000 0.00001 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 112 3S -0.00001 -0.00002 -0.00004 0.00002 0.00001 113 3PX 0.00010 0.00006 0.00000 0.00008 0.00002 114 3PY -0.00004 0.00008 -0.00004 0.00012 0.00003 115 3PZ -0.00003 0.00005 0.00000 -0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 122 16 O 1S -0.00001 -0.00004 -0.00009 -0.00003 0.00000 123 2S 0.00023 0.00084 0.00169 0.00056 -0.00005 124 2PX 0.00166 0.00033 0.00282 0.00098 -0.00002 125 2PY 0.00032 0.00031 0.00120 0.00018 -0.00001 126 2PZ -0.00071 0.00134 0.00030 0.00003 -0.00014 127 3S 0.00066 0.00098 0.00122 0.00075 -0.00230 128 3PX 0.00396 -0.00001 0.00081 0.00054 0.00014 129 3PY 0.00065 0.00081 0.00083 0.00050 -0.00016 130 3PZ -0.00231 0.00086 -0.00001 0.00000 -0.00331 131 4XX 0.00005 0.00002 0.00001 -0.00002 0.00002 132 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 133 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00005 134 4XY 0.00004 0.00000 0.00011 -0.00003 0.00001 135 4XZ 0.00000 0.00003 0.00008 0.00000 0.00005 136 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00001 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00001 0.00002 0.00001 0.00002 0.00000 139 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 140 2PY 0.00001 0.00001 -0.00001 0.00000 0.00000 141 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 142 3S 0.00006 0.00006 -0.00004 0.00007 0.00014 143 3PX 0.00049 0.00014 0.00005 0.00005 0.00027 144 3PY -0.00001 -0.00007 -0.00009 -0.00004 0.00015 145 3PZ -0.00011 0.00001 0.00000 0.00000 -0.00003 146 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00007 -0.00001 -0.00002 0.00000 -0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00009 0.00002 0.00001 0.00000 0.00002 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00001 0.00000 -0.00001 0.00000 0.00000 162 3PX 0.00006 -0.00001 0.00000 0.00000 0.00001 163 3PY 0.00001 0.00000 -0.00001 0.00000 0.00001 164 3PZ 0.00005 0.00000 -0.00001 -0.00001 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 178 3S 0.00006 0.00000 0.00000 0.00000 0.00002 179 3PX 0.00009 0.00000 0.00008 0.00000 -0.00006 180 3PY 0.00000 -0.00001 0.00000 -0.00002 0.00002 181 3PZ 0.00014 0.00000 0.00008 0.00000 -0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.14268 107 15 O 1S 0.00000 2.07560 108 2S 0.00002 -0.04155 0.50276 109 2PX 0.00009 0.00000 0.00000 0.61884 110 2PY 0.00014 0.00000 0.00000 0.00000 0.66748 111 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 3S -0.00003 -0.04119 0.45376 0.00000 0.00000 113 3PX 0.00085 0.00000 0.00000 0.18647 0.00000 114 3PY 0.00113 0.00000 0.00000 0.00000 0.21370 115 3PZ -0.00017 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00054 -0.00043 0.00000 0.00000 117 4YY 0.00002 -0.00042 -0.00461 0.00000 0.00000 118 4ZZ 0.00000 -0.00043 -0.00425 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00013 0.00000 0.00000 0.00000 0.00000 123 2S -0.00186 0.00000 0.00000 0.00000 -0.00001 124 2PX -0.00012 0.00000 0.00000 0.00000 0.00000 125 2PY -0.00016 0.00000 -0.00001 0.00000 -0.00010 126 2PZ -0.00393 0.00000 0.00000 0.00000 0.00000 127 3S -0.01038 -0.00001 0.00034 0.00000 -0.00121 128 3PX 0.00260 0.00000 0.00000 0.00018 0.00000 129 3PY -0.00050 0.00003 -0.00069 0.00000 -0.00638 130 3PZ -0.01526 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00006 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00016 0.00000 0.00000 0.00000 0.00002 133 4ZZ 0.00025 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00006 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00004 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 -0.00001 -0.00009 -0.00022 138 2S 0.00018 -0.00002 0.00026 0.00488 0.01271 139 2PX 0.00031 -0.00021 0.00432 0.00284 0.01951 140 2PY 0.00015 -0.00042 0.00839 0.01802 0.02322 141 2PZ 0.00020 -0.00003 0.00065 0.00103 0.00282 142 3S 0.00129 0.00108 -0.01635 0.00315 0.01020 143 3PX 0.00223 0.00011 -0.00140 -0.00042 0.00686 144 3PY 0.00070 -0.00017 0.00080 0.00858 0.00064 145 3PZ -0.00006 0.00005 -0.00045 0.00137 0.00111 146 4XX 0.00003 0.00001 -0.00014 -0.00045 0.00103 147 4YY 0.00000 -0.00008 0.00201 0.00288 -0.00055 148 4ZZ -0.00003 0.00000 -0.00024 -0.00012 -0.00028 149 4XY 0.00000 -0.00009 0.00192 0.00030 0.00422 150 4XZ -0.00002 0.00000 0.00007 0.00015 0.00047 151 4YZ -0.00001 -0.00001 0.00023 0.00069 0.00053 152 18 H 1S -0.00001 0.00000 -0.00006 0.00000 -0.00003 153 2S -0.00030 0.00008 -0.00110 0.00071 -0.00108 154 19 H 1S 0.00002 0.00000 -0.00004 -0.00022 -0.00003 155 2S 0.00069 0.00001 -0.00042 -0.00593 -0.00114 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 161 3S 0.00015 0.00000 -0.00004 0.00012 0.00000 162 3PX 0.00030 0.00000 -0.00009 -0.00010 -0.00003 163 3PY 0.00025 0.00000 0.00000 -0.00002 -0.00001 164 3PZ 0.00044 0.00000 -0.00004 0.00013 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00001 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00003 0.00000 0.00000 0.00000 0.00000 175 2PX -0.00008 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00002 0.00000 0.00000 0.00000 0.00000 178 3S 0.00021 0.00000 0.00001 0.00001 0.00001 179 3PX -0.00055 0.00000 0.00001 0.00006 0.00000 180 3PY 0.00021 0.00000 0.00000 0.00000 0.00000 181 3PZ -0.00001 0.00000 0.00001 0.00003 0.00001 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00011 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 2PZ 0.74408 112 3S 0.00000 0.76003 113 3PX 0.00000 0.00000 0.23519 114 3PY 0.00000 0.00000 0.00000 0.27467 115 3PZ 0.24774 0.00000 0.00000 0.00000 0.33575 116 4XX 0.00000 -0.00045 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.01253 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00744 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 123 2S 0.00000 0.00034 0.00000 -0.00070 0.00000 124 2PX 0.00000 0.00000 0.00018 0.00000 0.00000 125 2PY 0.00000 -0.00120 0.00000 -0.00639 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 127 3S 0.00000 0.00560 0.00001 -0.00586 0.00002 128 3PX 0.00000 -0.00001 0.00197 0.00000 0.00000 129 3PY 0.00000 -0.00576 0.00000 -0.02511 -0.00003 130 3PZ -0.00009 -0.00003 0.00000 0.00002 -0.00046 131 4XX 0.00000 0.00000 0.00000 -0.00009 0.00000 132 4YY 0.00000 -0.00029 0.00000 0.00007 0.00000 133 4ZZ 0.00000 0.00001 0.00000 -0.00002 0.00000 134 4XY 0.00000 0.00000 0.00004 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 137 17 C 1S -0.00001 0.00079 -0.00067 -0.00306 -0.00003 138 2S 0.00049 -0.01392 0.00718 0.02997 0.00006 139 2PX 0.00101 0.00531 -0.00182 0.02626 0.00039 140 2PY 0.00256 0.00744 0.01885 0.01905 0.00212 141 2PZ -0.00037 0.00100 0.00041 0.00351 -0.00376 142 3S 0.00016 -0.06107 0.00332 0.02313 -0.00065 143 3PX 0.00133 -0.00427 -0.00005 0.01050 0.00217 144 3PY 0.00085 -0.00368 0.01211 -0.00009 0.00067 145 3PZ 0.00475 -0.00157 0.00218 0.00157 0.01127 146 4XX 0.00031 -0.00103 -0.00174 0.00218 0.00086 147 4YY 0.00025 0.00606 0.00415 -0.00093 0.00020 148 4ZZ 0.00016 -0.00190 -0.00012 -0.00111 -0.00029 149 4XY 0.00067 0.00162 0.00001 0.00171 0.00041 150 4XZ 0.00057 -0.00005 -0.00003 0.00029 0.00125 151 4YZ 0.00095 0.00005 0.00048 0.00019 0.00204 152 18 H 1S -0.00019 -0.00220 0.00067 -0.00041 -0.00424 153 2S -0.00463 -0.00659 0.00501 -0.00329 -0.01746 154 19 H 1S -0.00004 -0.00132 -0.00549 -0.00054 -0.00091 155 2S -0.00121 0.00073 -0.02473 -0.00375 -0.00524 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00002 -0.00007 0.00000 -0.00004 158 2PX 0.00000 -0.00015 -0.00015 -0.00004 -0.00006 159 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 160 2PZ 0.00000 -0.00006 -0.00007 -0.00001 0.00002 161 3S 0.00016 -0.00009 0.00114 0.00004 0.00118 162 3PX 0.00007 -0.00138 -0.00004 -0.00037 0.00072 163 3PY -0.00003 -0.00003 -0.00012 -0.00009 -0.00015 164 3PZ 0.00015 -0.00037 0.00102 -0.00013 0.00065 165 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00002 172 2S 0.00003 0.00021 0.00016 0.00000 0.00014 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00003 -0.00001 0.00003 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 178 3S -0.00001 0.00004 0.00007 0.00008 -0.00007 179 3PX 0.00007 -0.00003 0.00073 -0.00022 0.00092 180 3PY 0.00000 -0.00001 0.00005 -0.00002 0.00005 181 3PZ 0.00001 0.00006 0.00039 0.00002 0.00010 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 116 117 118 119 120 116 4XX 0.00074 117 4YY -0.00009 0.00294 118 4ZZ 0.00001 -0.00010 0.00113 119 4XY 0.00000 0.00000 0.00000 0.00154 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00054 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 -0.00029 0.00001 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00004 0.00000 129 3PY -0.00010 0.00006 -0.00002 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00003 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S -0.00001 -0.00016 0.00000 -0.00013 -0.00001 138 2S 0.00016 0.00280 -0.00022 0.00151 0.00003 139 2PX -0.00041 0.00332 -0.00025 0.00008 -0.00002 140 2PY -0.00013 0.00185 -0.00030 0.00118 -0.00002 141 2PZ 0.00004 0.00043 0.00005 0.00024 0.00045 142 3S 0.00067 0.00291 -0.00014 0.00051 -0.00001 143 3PX -0.00055 0.00137 -0.00019 0.00003 0.00001 144 3PY 0.00009 0.00024 -0.00002 0.00008 -0.00002 145 3PZ -0.00001 0.00023 -0.00005 0.00008 0.00021 146 4XX 0.00001 0.00016 -0.00004 -0.00006 0.00000 147 4YY -0.00013 -0.00006 -0.00004 0.00019 -0.00003 148 4ZZ 0.00002 -0.00006 0.00004 -0.00002 -0.00001 149 4XY 0.00000 0.00028 -0.00007 0.00001 0.00001 150 4XZ -0.00001 0.00008 -0.00001 0.00000 -0.00001 151 4YZ -0.00002 0.00003 -0.00001 0.00005 0.00000 152 18 H 1S 0.00001 0.00000 0.00006 0.00001 0.00006 153 2S -0.00005 -0.00021 0.00068 0.00002 0.00016 154 19 H 1S 0.00008 0.00000 -0.00001 0.00002 0.00001 155 2S 0.00050 -0.00032 -0.00031 -0.00016 0.00003 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00001 0.00000 -0.00001 0.00000 0.00000 162 3PX 0.00001 -0.00003 0.00003 0.00000 0.00005 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00001 -0.00001 0.00000 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX -0.00002 0.00000 0.00001 0.00001 0.00000 180 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 181 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 4YZ 0.00157 122 16 O 1S 0.00000 2.07562 123 2S 0.00000 -0.04155 0.50272 124 2PX 0.00000 0.00000 0.00000 0.61910 125 2PY 0.00000 0.00000 0.00000 0.00000 0.66748 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.04122 0.45404 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.18679 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.21354 130 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00054 -0.00045 0.00000 0.00000 132 4YY 0.00000 -0.00042 -0.00459 0.00000 0.00000 133 4ZZ 0.00000 -0.00043 -0.00430 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S -0.00001 0.00000 -0.00001 -0.00009 -0.00022 138 2S 0.00015 -0.00002 0.00026 0.00484 0.01284 139 2PX 0.00012 -0.00021 0.00429 0.00276 0.01959 140 2PY -0.00002 -0.00043 0.00851 0.01810 0.02404 141 2PZ 0.00062 -0.00003 0.00056 0.00086 0.00248 142 3S 0.00005 0.00108 -0.01634 0.00311 0.01028 143 3PX 0.00004 0.00011 -0.00140 -0.00042 0.00697 144 3PY 0.00001 -0.00016 0.00078 0.00866 0.00073 145 3PZ 0.00046 0.00004 -0.00042 0.00122 0.00099 146 4XX 0.00000 0.00001 -0.00015 -0.00045 0.00103 147 4YY 0.00002 -0.00008 0.00206 0.00297 -0.00049 148 4ZZ 0.00001 0.00000 -0.00023 -0.00013 -0.00030 149 4XY 0.00001 -0.00009 0.00192 0.00029 0.00435 150 4XZ 0.00006 0.00000 0.00006 0.00013 0.00039 151 4YZ 0.00011 -0.00001 0.00019 0.00062 0.00048 152 18 H 1S 0.00002 0.00000 -0.00006 0.00000 -0.00004 153 2S -0.00006 0.00008 -0.00109 0.00071 -0.00118 154 19 H 1S 0.00000 0.00000 -0.00004 -0.00022 -0.00003 155 2S -0.00002 0.00001 -0.00043 -0.00590 -0.00107 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00001 0.00001 0.00001 162 3PX 0.00000 0.00000 0.00000 0.00006 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 164 3PZ 0.00000 0.00000 0.00001 0.00004 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 -0.00004 0.00011 0.00000 179 3PX 0.00000 0.00000 -0.00008 -0.00008 -0.00003 180 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 181 3PZ 0.00000 0.00000 -0.00004 0.00012 -0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2PZ 0.74364 127 3S 0.00000 0.76145 128 3PX 0.00000 0.00000 0.23598 129 3PY 0.00000 0.00000 0.00000 0.27434 130 3PZ 0.24760 0.00000 0.00000 0.00000 0.33550 131 4XX 0.00000 -0.00050 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.01240 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00765 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S -0.00001 0.00079 -0.00066 -0.00308 -0.00001 138 2S 0.00040 -0.01390 0.00711 0.03018 -0.00009 139 2PX 0.00083 0.00528 -0.00188 0.02630 0.00024 140 2PY 0.00226 0.00756 0.01886 0.01991 0.00181 141 2PZ -0.00031 0.00090 0.00029 0.00310 -0.00363 142 3S 0.00010 -0.06096 0.00324 0.02323 -0.00071 143 3PX 0.00119 -0.00428 -0.00002 0.01066 0.00195 144 3PY 0.00076 -0.00393 0.01222 -0.00006 0.00061 145 3PZ 0.00490 -0.00143 0.00195 0.00140 0.01150 146 4XX 0.00028 -0.00104 -0.00173 0.00220 0.00078 147 4YY 0.00021 0.00611 0.00425 -0.00086 0.00014 148 4ZZ 0.00015 -0.00190 -0.00017 -0.00122 -0.00025 149 4XY 0.00058 0.00161 0.00001 0.00178 0.00035 150 4XZ 0.00062 -0.00005 -0.00003 0.00024 0.00129 151 4YZ 0.00105 0.00001 0.00043 0.00018 0.00215 152 18 H 1S -0.00019 -0.00220 0.00066 -0.00048 -0.00416 153 2S -0.00452 -0.00661 0.00501 -0.00364 -0.01707 154 19 H 1S -0.00004 -0.00132 -0.00548 -0.00049 -0.00097 155 2S -0.00130 0.00070 -0.02468 -0.00344 -0.00560 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00003 -0.00001 0.00003 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 161 3S -0.00001 0.00006 0.00013 0.00009 -0.00005 162 3PX 0.00007 -0.00004 0.00070 -0.00021 0.00088 163 3PY 0.00000 0.00000 0.00009 -0.00002 0.00006 164 3PZ 0.00001 0.00006 0.00040 0.00003 0.00009 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00001 0.00000 0.00000 -0.00001 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 -0.00002 -0.00007 0.00000 -0.00004 175 2PX 0.00000 -0.00015 -0.00015 -0.00004 -0.00005 176 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 177 2PZ 0.00000 -0.00006 -0.00006 -0.00001 0.00002 178 3S 0.00015 -0.00008 0.00102 0.00004 0.00110 179 3PX 0.00009 -0.00145 0.00005 -0.00039 0.00089 180 3PY -0.00003 -0.00002 -0.00008 -0.00009 -0.00014 181 3PZ 0.00014 -0.00038 0.00094 -0.00013 0.00064 182 4XX 0.00000 0.00000 0.00001 0.00000 0.00001 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00002 189 2S 0.00003 0.00017 0.00011 0.00000 0.00012 131 132 133 134 135 131 4XX 0.00074 132 4YY -0.00009 0.00291 133 4ZZ 0.00001 -0.00010 0.00117 134 4XY 0.00000 0.00000 0.00000 0.00153 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00055 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S -0.00001 -0.00017 0.00000 -0.00013 0.00000 138 2S 0.00015 0.00285 -0.00022 0.00151 0.00002 139 2PX -0.00040 0.00334 -0.00024 0.00007 -0.00002 140 2PY -0.00014 0.00192 -0.00030 0.00120 -0.00004 141 2PZ 0.00004 0.00037 0.00005 0.00021 0.00047 142 3S 0.00066 0.00295 -0.00015 0.00051 -0.00001 143 3PX -0.00054 0.00138 -0.00020 0.00004 0.00001 144 3PY 0.00009 0.00027 -0.00002 0.00009 -0.00003 145 3PZ -0.00001 0.00020 -0.00004 0.00007 0.00021 146 4XX 0.00001 0.00016 -0.00004 -0.00006 0.00000 147 4YY -0.00014 -0.00006 -0.00004 0.00019 -0.00003 148 4ZZ 0.00002 -0.00006 0.00004 -0.00002 -0.00001 149 4XY 0.00000 0.00029 -0.00007 0.00001 0.00001 150 4XZ -0.00001 0.00007 -0.00001 0.00000 -0.00001 151 4YZ -0.00002 0.00003 -0.00001 0.00004 0.00000 152 18 H 1S 0.00001 0.00000 0.00005 0.00001 0.00006 153 2S -0.00005 -0.00022 0.00068 0.00002 0.00016 154 19 H 1S 0.00008 0.00000 -0.00001 0.00002 0.00001 155 2S 0.00050 -0.00032 -0.00032 -0.00016 0.00003 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00002 0.00000 0.00001 0.00001 0.00000 163 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00001 0.00000 -0.00001 0.00000 0.00000 179 3PX 0.00001 -0.00003 0.00003 0.00000 0.00004 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00001 -0.00001 0.00000 0.00000 0.00001 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 136 137 138 139 140 136 4YZ 0.00156 137 17 C 1S -0.00001 2.04988 138 2S 0.00012 -0.01438 0.34507 139 2PX 0.00009 0.00000 0.00000 0.38992 140 2PY -0.00004 0.00000 0.00000 0.00000 0.29481 141 2PZ 0.00067 0.00000 0.00000 0.00000 0.00000 142 3S 0.00004 -0.02752 0.21127 0.00000 0.00000 143 3PX 0.00004 0.00000 0.00000 0.07401 0.00000 144 3PY 0.00001 0.00000 0.00000 0.00000 0.04066 145 3PZ 0.00048 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00134 -0.00129 0.00000 0.00000 147 4YY 0.00002 -0.00104 -0.00714 0.00000 0.00000 148 4ZZ 0.00001 -0.00144 0.00069 0.00000 0.00000 149 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00007 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00012 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00003 -0.00195 0.03454 0.00450 0.00001 153 2S -0.00005 -0.00120 0.01835 0.00137 0.00001 154 19 H 1S 0.00000 -0.00180 0.03145 0.06350 0.00000 155 2S -0.00002 -0.00075 0.01103 0.03863 0.00000 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 -0.00007 -0.00005 0.00002 163 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 164 3PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00001 0.00000 179 3PX 0.00000 0.00000 -0.00007 -0.00005 0.00001 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 2PZ 0.46069 142 3S 0.00000 0.23161 143 3PX 0.00000 0.00000 0.05548 144 3PY 0.00000 0.00000 0.00000 0.02780 145 3PZ 0.09174 0.00000 0.00000 0.00000 0.06558 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00789 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00298 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.09810 0.03952 0.00464 0.00000 0.04426 153 2S 0.05859 0.02207 0.00351 0.00000 0.03578 154 19 H 1S 0.03565 0.04236 0.02814 0.00000 0.01371 155 2S 0.02490 0.02200 0.01758 0.00000 0.00989 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 -0.00002 0.00023 0.00003 -0.00002 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00003 0.00000 0.00000 161 3S -0.00001 0.00002 0.00001 0.00003 0.00003 162 3PX -0.00001 -0.00040 0.00174 0.00024 0.00001 163 3PY 0.00000 -0.00002 0.00003 -0.00004 0.00002 164 3PZ 0.00000 -0.00009 0.00030 0.00005 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 172 2S 0.00000 -0.00001 0.00008 0.00004 -0.00001 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 -0.00002 0.00024 0.00003 -0.00002 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 -0.00001 0.00003 0.00000 0.00000 178 3S -0.00001 0.00002 0.00002 0.00003 0.00003 179 3PX -0.00001 -0.00041 0.00175 0.00023 0.00003 180 3PY 0.00000 -0.00002 0.00003 -0.00004 0.00002 181 3PZ 0.00000 -0.00009 0.00031 0.00005 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00008 0.00005 -0.00001 146 147 148 149 150 146 4XX 0.00243 147 4YY -0.00038 0.00355 148 4ZZ -0.00021 -0.00054 0.00259 149 4XY 0.00000 0.00000 0.00000 0.00351 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00234 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00138 -0.00137 0.00799 0.00000 0.00138 153 2S -0.00403 -0.00220 0.00715 0.00000 0.00041 154 19 H 1S 0.00400 -0.00149 -0.00044 0.00000 0.00466 155 2S 0.00634 -0.00354 -0.00223 0.00000 0.00131 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00001 0.00000 0.00000 0.00000 0.00001 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4YZ 0.00183 152 18 H 1S 0.00000 0.22384 153 2S 0.00000 0.11189 0.15551 154 19 H 1S 0.00000 -0.00071 -0.01130 0.22403 155 2S 0.00000 -0.01252 -0.04313 0.12520 0.21159 156 20 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00001 -0.00023 0.00000 0.00001 162 3PX 0.00000 -0.00002 0.00022 0.00000 0.00011 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00004 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 172 2S 0.00000 0.00000 0.00008 0.00000 0.00000 173 22 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00004 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00001 -0.00021 0.00000 0.00001 179 3PX 0.00000 -0.00002 0.00019 0.00000 0.00012 180 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 181 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00004 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 189 2S 0.00000 0.00000 0.00008 0.00000 0.00000 156 157 158 159 160 156 20 C 1S 2.05275 157 2S -0.01365 0.32682 158 2PX 0.00000 0.00000 0.35652 159 2PY 0.00000 0.00000 0.00000 0.41409 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.40182 161 3S -0.02921 0.19723 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.12586 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.07808 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.07039 165 4XX -0.00098 -0.00925 0.00000 0.00000 0.00000 166 4YY -0.00134 -0.00217 0.00000 0.00000 0.00000 167 4ZZ -0.00141 -0.00116 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S -0.00201 0.03161 0.01616 0.02501 0.05732 172 2S -0.00124 0.01291 0.01099 0.01582 0.03759 173 22 C 1S 0.00000 -0.00046 0.00000 -0.00253 0.00000 174 2S -0.00046 0.00935 0.00000 0.03967 0.00002 175 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 176 2PY -0.00253 0.03964 0.00000 0.09670 0.00004 177 2PZ 0.00000 -0.00002 0.00000 -0.00002 0.00347 178 3S -0.00028 0.01063 -0.00002 0.03107 -0.00003 179 3PX 0.00000 0.00000 0.02420 0.00000 0.00000 180 3PY -0.00165 0.02273 -0.00001 0.01788 0.00002 181 3PZ 0.00000 0.00005 0.00000 -0.00008 0.01017 182 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 183 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 184 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 185 4XY 0.00000 0.00000 0.00205 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00001 0.00200 188 23 H 1S 0.00000 -0.00017 -0.00001 -0.00056 -0.00013 189 2S 0.00019 -0.00258 -0.00037 -0.00808 -0.00207 161 162 163 164 165 161 3S 0.23916 162 3PX 0.00000 0.14816 163 3PY 0.00000 0.00000 0.05834 164 3PZ 0.00000 0.00000 0.00000 0.05869 165 4XX -0.00545 0.00000 0.00000 0.00000 0.00073 166 4YY -0.00169 0.00000 0.00000 0.00000 0.00004 167 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00008 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.04202 0.00780 0.01038 0.02391 -0.00036 172 2S 0.03617 0.00836 0.00801 0.01856 0.00030 173 22 C 1S -0.00033 0.00000 -0.00170 0.00000 0.00000 174 2S 0.01133 0.00000 0.02337 -0.00006 -0.00038 175 2PX 0.00002 0.02466 0.00001 0.00000 0.00000 176 2PY 0.03103 0.00001 0.01807 0.00009 -0.00083 177 2PZ 0.00004 0.00000 -0.00001 0.01025 0.00000 178 3S -0.00467 -0.00003 0.01099 0.00000 -0.00082 179 3PX 0.00003 0.04130 0.00000 0.00000 0.00000 180 3PY 0.00962 0.00000 0.00190 0.00008 -0.00068 181 3PZ -0.00001 0.00000 -0.00008 0.01004 0.00000 182 4XX -0.00084 0.00000 -0.00070 0.00000 0.00002 183 4YY 0.00386 0.00000 0.00117 0.00001 -0.00006 184 4ZZ -0.00205 0.00000 -0.00208 0.00000 0.00001 185 4XY 0.00000 0.00131 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ -0.00001 0.00000 0.00000 0.00046 0.00000 188 23 H 1S -0.00421 0.00006 -0.00337 0.00019 0.00000 189 2S -0.01682 -0.00017 -0.01346 0.00038 0.00010 166 167 168 169 170 166 4YY 0.00114 167 4ZZ -0.00018 0.00108 168 4XY 0.00000 0.00000 0.00076 169 4XZ 0.00000 0.00000 0.00000 0.00070 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00135 171 21 H 1S -0.00076 0.00171 0.00073 0.00146 0.00273 172 2S -0.00119 0.00227 0.00016 0.00026 0.00062 173 22 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 174 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00202 0.00000 0.00000 176 2PY 0.00228 -0.00133 0.00000 0.00000 -0.00001 177 2PZ 0.00001 0.00000 0.00000 0.00000 0.00200 178 3S 0.00376 -0.00194 0.00000 0.00000 0.00001 179 3PX 0.00000 0.00000 0.00129 0.00000 0.00000 180 3PY 0.00113 -0.00200 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 182 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 183 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 184 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 -0.00009 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00025 188 23 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 189 2S -0.00019 0.00016 0.00009 0.00000 0.00029 171 172 173 174 175 171 21 H 1S 0.21711 172 2S 0.11489 0.16305 173 22 C 1S 0.00000 0.00018 2.05289 174 2S -0.00017 -0.00251 -0.01375 0.32826 175 2PX -0.00001 -0.00038 0.00000 0.00000 0.35412 176 2PY -0.00057 -0.00822 0.00000 0.00000 0.00000 177 2PZ -0.00012 -0.00194 0.00000 0.00000 0.00000 178 3S -0.00406 -0.01606 -0.02913 0.19638 0.00000 179 3PX 0.00006 -0.00019 0.00000 0.00000 0.12411 180 3PY -0.00327 -0.01313 0.00000 0.00000 0.00000 181 3PZ 0.00015 0.00030 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00010 -0.00098 -0.00927 0.00000 183 4YY 0.00002 -0.00015 -0.00134 -0.00222 0.00000 184 4ZZ 0.00000 0.00014 -0.00141 -0.00119 0.00000 185 4XY 0.00002 0.00008 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00006 0.00028 0.00000 0.00000 0.00000 188 23 H 1S -0.00001 -0.00090 -0.00200 0.03142 0.01646 189 2S -0.00090 -0.00523 -0.00118 0.01206 0.01150 176 177 178 179 180 176 2PY 0.41477 177 2PZ 0.00000 0.40218 178 3S 0.00000 0.00000 0.23412 179 3PX 0.00000 0.00000 0.00000 0.14538 180 3PY 0.07740 0.00000 0.00000 0.00000 0.05775 181 3PZ 0.00000 0.06957 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00536 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.00184 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00019 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.02339 0.05887 0.04239 0.00798 0.00940 189 2S 0.01473 0.03871 0.03626 0.00899 0.00691 181 182 183 184 185 181 3PZ 0.05804 182 4XX 0.00000 0.00073 183 4YY 0.00000 0.00004 0.00115 184 4ZZ 0.00000 0.00008 -0.00019 0.00111 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00077 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.02414 -0.00035 -0.00085 0.00190 0.00069 189 2S 0.01850 0.00034 -0.00140 0.00253 0.00015 186 187 188 189 186 4XZ 0.00070 187 4YZ 0.00000 0.00133 188 23 H 1S 0.00153 0.00263 0.21734 189 2S 0.00027 0.00060 0.11558 0.16543 Gross orbital populations: 1 1 1 C 1S 1.99262 2 2S 0.70331 3 2PX 0.60403 4 2PY 0.72588 5 2PZ 0.69595 6 3S 0.58493 7 3PX 0.34015 8 3PY 0.24549 9 3PZ 0.24877 10 4XX -0.01589 11 4YY 0.01175 12 4ZZ -0.00571 13 4XY 0.00349 14 4XZ 0.00779 15 4YZ 0.00692 16 2 C 1S 1.99263 17 2S 0.70420 18 2PX 0.59986 19 2PY 0.72587 20 2PZ 0.69809 21 3S 0.58945 22 3PX 0.33982 23 3PY 0.24512 24 3PZ 0.24439 25 4XX -0.01618 26 4YY 0.01152 27 4ZZ -0.00534 28 4XY 0.00341 29 4XZ 0.00788 30 4YZ 0.00695 31 3 C 1S 1.99218 32 2S 0.68152 33 2PX 0.71102 34 2PY 0.68372 35 2PZ 0.70862 36 3S 0.58387 37 3PX 0.30780 38 3PY 0.27108 39 3PZ 0.30760 40 4XX 0.00667 41 4YY -0.00225 42 4ZZ 0.00222 43 4XY 0.00736 44 4XZ 0.00553 45 4YZ 0.00730 46 4 H 1S 0.53471 47 2S 0.34153 48 5 H 1S 0.52874 49 2S 0.32298 50 6 C 1S 1.99218 51 2S 0.68127 52 2PX 0.70680 53 2PY 0.68466 54 2PZ 0.71216 55 3S 0.58752 56 3PX 0.31488 57 3PY 0.27342 58 3PZ 0.30244 59 4XX 0.00192 60 4YY -0.00233 61 4ZZ 0.00675 62 4XY 0.00696 63 4XZ 0.00579 64 4YZ 0.00773 65 7 H 1S 0.53182 66 2S 0.33671 67 8 H 1S 0.52944 68 2S 0.32013 69 9 H 1S 0.53310 70 2S 0.34179 71 10 H 1S 0.53318 72 2S 0.34215 73 11 C 1S 1.99220 74 2S 0.70357 75 2PX 0.60666 76 2PY 0.75322 77 2PZ 0.64551 78 3S 0.48876 79 3PX 0.27316 80 3PY 0.17578 81 3PZ 0.24766 82 4XX -0.00673 83 4YY 0.00474 84 4ZZ -0.00124 85 4XY 0.01217 86 4XZ 0.01175 87 4YZ 0.01345 88 12 H 1S 0.52877 89 2S 0.31123 90 13 C 1S 1.99220 91 2S 0.70381 92 2PX 0.60641 93 2PY 0.75587 94 2PZ 0.64226 95 3S 0.48937 96 3PX 0.27435 97 3PY 0.17657 98 3PZ 0.24808 99 4XX -0.00675 100 4YY 0.00510 101 4ZZ -0.00169 102 4XY 0.01206 103 4XZ 0.01191 104 4YZ 0.01349 105 14 H 1S 0.52897 106 2S 0.31062 107 15 O 1S 1.99235 108 2S 0.89850 109 2PX 0.90449 110 2PY 0.96630 111 2PZ 1.04420 112 3S 1.01098 113 3PX 0.48596 114 3PY 0.56140 115 3PZ 0.60057 116 4XX 0.00301 117 4YY -0.00144 118 4ZZ -0.00754 119 4XY 0.00882 120 4XZ 0.00457 121 4YZ 0.00588 122 16 O 1S 1.99235 123 2S 0.89848 124 2PX 0.90484 125 2PY 0.96615 126 2PZ 1.04379 127 3S 1.01161 128 3PX 0.48668 129 3PY 0.56081 130 3PZ 0.60077 131 4XX 0.00296 132 4YY -0.00139 133 4ZZ -0.00758 134 4XY 0.00871 135 4XZ 0.00467 136 4YZ 0.00580 137 17 C 1S 1.99194 138 2S 0.71161 139 2PX 0.67632 140 2PY 0.53368 141 2PZ 0.77478 142 3S 0.44897 143 3PX 0.18881 144 3PY 0.10127 145 3PZ 0.28841 146 4XX 0.00762 147 4YY 0.00402 148 4ZZ 0.01050 149 4XY 0.02513 150 4XZ 0.01632 151 4YZ 0.01271 152 18 H 1S 0.54105 153 2S 0.30641 154 19 H 1S 0.54065 155 2S 0.33337 156 20 C 1S 1.99196 157 2S 0.70704 158 2PX 0.60925 159 2PY 0.74819 160 2PZ 0.72121 161 3S 0.49798 162 3PX 0.40455 163 3PY 0.20093 164 3PZ 0.21477 165 4XX -0.01974 166 4YY 0.00172 167 4ZZ 0.00307 168 4XY 0.00642 169 4XZ 0.00531 170 4YZ 0.01204 171 21 H 1S 0.53304 172 2S 0.34291 173 22 C 1S 1.99197 174 2S 0.70868 175 2PX 0.60515 176 2PY 0.74936 177 2PZ 0.72107 178 3S 0.49743 179 3PX 0.40089 180 3PY 0.19906 181 3PZ 0.21624 182 4XX -0.01975 183 4YY 0.00161 184 4ZZ 0.00320 185 4XY 0.00650 186 4XZ 0.00532 187 4YZ 0.01195 188 23 H 1S 0.53344 189 2S 0.34392 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.998867 -0.023068 0.373166 -0.045821 -0.028916 -0.035654 2 C -0.023068 4.999197 -0.034346 0.001105 0.002888 0.368802 3 C 0.373166 -0.034346 5.069998 0.354012 0.369459 0.329878 4 H -0.045821 0.001105 0.354012 0.638224 -0.044051 -0.028057 5 H -0.028916 0.002888 0.369459 -0.044051 0.597462 -0.036584 6 C -0.035654 0.368802 0.329878 -0.028057 -0.036584 5.081740 7 H 0.002047 -0.031045 -0.029448 -0.011332 0.004585 0.358751 8 H 0.001452 -0.040885 -0.033917 0.004901 -0.010575 0.367147 9 H 0.000224 0.361996 0.005198 -0.000173 -0.000108 -0.053419 10 H 0.361336 0.000171 -0.053188 -0.000849 -0.000922 0.005240 11 C -0.006030 0.107446 -0.008444 0.000698 0.000351 -0.016968 12 H 0.001631 -0.024938 0.000165 -0.000623 0.000014 -0.001442 13 C 0.110266 -0.003978 -0.016216 -0.006090 0.001948 -0.009099 14 H -0.025891 0.001495 -0.002791 0.009514 -0.000280 0.000209 15 O -0.000004 -0.020521 0.000150 -0.000007 -0.000001 0.000466 16 O -0.020382 -0.000131 0.000282 0.000197 -0.000022 0.000197 17 C 0.001066 0.001062 0.000006 -0.000014 0.000000 0.000000 18 H 0.000216 0.000230 -0.000002 -0.000001 0.000000 -0.000004 19 H -0.000101 -0.000108 0.000003 0.000001 0.000000 0.000004 20 C -0.040711 0.565282 -0.030835 0.001104 0.001328 -0.024936 21 H 0.005811 -0.048571 -0.000097 0.000017 0.000003 0.005384 22 C 0.569538 -0.040321 -0.024631 0.003715 -0.004821 -0.029398 23 H -0.049556 0.005915 0.005835 -0.000229 -0.000041 -0.000130 7 8 9 10 11 12 1 C 0.002047 0.001452 0.000224 0.361336 -0.006030 0.001631 2 C -0.031045 -0.040885 0.361996 0.000171 0.107446 -0.024938 3 C -0.029448 -0.033917 0.005198 -0.053188 -0.008444 0.000165 4 H -0.011332 0.004901 -0.000173 -0.000849 0.000698 -0.000623 5 H 0.004585 -0.010575 -0.000108 -0.000922 0.000351 0.000014 6 C 0.358751 0.367147 -0.053419 0.005240 -0.016968 -0.001442 7 H 0.613961 -0.043065 -0.001528 -0.000158 -0.004586 0.006489 8 H -0.043065 0.606904 -0.000160 -0.000108 0.002325 -0.000275 9 H -0.001528 -0.000160 0.609941 -0.000003 -0.008502 -0.000059 10 H -0.000158 -0.000108 -0.000003 0.610319 0.000930 -0.000045 11 C -0.004586 0.002325 -0.008502 0.000930 4.923888 0.364315 12 H 0.006489 -0.000275 -0.000059 -0.000045 0.364315 0.566850 13 C 0.000274 0.000434 0.000961 -0.009301 0.511404 -0.045563 14 H -0.000412 0.000015 -0.000046 0.000080 -0.045514 -0.000236 15 O 0.000103 -0.000027 0.000606 -0.000013 0.233331 -0.035064 16 O -0.000002 -0.000001 -0.000014 0.000779 -0.040839 0.002095 17 C -0.000008 0.000000 -0.000071 -0.000076 -0.062518 0.005534 18 H 0.000000 0.000000 0.000004 0.000003 0.005052 -0.000318 19 H 0.000001 0.000000 -0.000001 0.000000 0.005098 0.000720 20 C 0.003285 -0.006882 -0.039014 0.007104 -0.014014 -0.000275 21 H -0.000154 -0.000090 -0.007808 -0.000148 -0.000055 -0.000099 22 C 0.000751 0.002385 0.007010 -0.037806 -0.026956 0.001114 23 H 0.000015 -0.000010 -0.000145 -0.008017 0.000248 0.000012 13 14 15 16 17 18 1 C 0.110266 -0.025891 -0.000004 -0.020382 0.001066 0.000216 2 C -0.003978 0.001495 -0.020521 -0.000131 0.001062 0.000230 3 C -0.016216 -0.002791 0.000150 0.000282 0.000006 -0.000002 4 H -0.006090 0.009514 -0.000007 0.000197 -0.000014 -0.000001 5 H 0.001948 -0.000280 -0.000001 -0.000022 0.000000 0.000000 6 C -0.009099 0.000209 0.000466 0.000197 0.000000 -0.000004 7 H 0.000274 -0.000412 0.000103 -0.000002 -0.000008 0.000000 8 H 0.000434 0.000015 -0.000027 -0.000001 0.000000 0.000000 9 H 0.000961 -0.000046 0.000606 -0.000014 -0.000071 0.000004 10 H -0.009301 0.000080 -0.000013 0.000779 -0.000076 0.000003 11 C 0.511404 -0.045514 0.233331 -0.040839 -0.062518 0.005052 12 H -0.045563 -0.000236 -0.035064 0.002095 0.005534 -0.000318 13 C 4.928654 0.362256 -0.040983 0.231862 -0.062466 0.005118 14 H 0.362256 0.566939 0.002088 -0.034619 0.005476 -0.000314 15 O -0.040983 0.002088 8.198150 -0.046009 0.265793 -0.034105 16 O 0.231862 -0.034619 -0.046009 8.199765 0.265519 -0.034062 17 C -0.062466 0.005476 0.265793 0.265519 4.653391 0.370049 18 H 0.005118 -0.000314 -0.034105 -0.034062 0.370049 0.603128 19 H 0.005002 0.000727 -0.050457 -0.050491 0.344923 -0.067655 20 C -0.027374 0.001205 0.001615 0.002563 0.002086 -0.000023 21 H 0.000247 0.000011 0.000517 -0.000012 0.000101 0.000085 22 C -0.014476 -0.000212 0.002431 0.001589 0.002104 -0.000029 23 H 0.000152 -0.000112 -0.000014 0.000390 0.000119 0.000090 19 20 21 22 23 1 C -0.000101 -0.040711 0.005811 0.569538 -0.049556 2 C -0.000108 0.565282 -0.048571 -0.040321 0.005915 3 C 0.000003 -0.030835 -0.000097 -0.024631 0.005835 4 H 0.000001 0.001104 0.000017 0.003715 -0.000229 5 H 0.000000 0.001328 0.000003 -0.004821 -0.000041 6 C 0.000004 -0.024936 0.005384 -0.029398 -0.000130 7 H 0.000001 0.003285 -0.000154 0.000751 0.000015 8 H 0.000000 -0.006882 -0.000090 0.002385 -0.000010 9 H -0.000001 -0.039014 -0.007808 0.007010 -0.000145 10 H 0.000000 0.007104 -0.000148 -0.037806 -0.008017 11 C 0.005098 -0.014014 -0.000055 -0.026956 0.000248 12 H 0.000720 -0.000275 -0.000099 0.001114 0.000012 13 C 0.005002 -0.027374 0.000247 -0.014476 0.000152 14 H 0.000727 0.001205 0.000011 -0.000212 -0.000112 15 O -0.050457 0.001615 0.000517 0.002431 -0.000014 16 O -0.050491 0.002563 -0.000012 0.001589 0.000390 17 C 0.344923 0.002086 0.000101 0.002104 0.000119 18 H -0.067655 -0.000023 0.000085 -0.000029 0.000090 19 H 0.686012 0.000172 0.000002 0.000173 0.000002 20 C 0.000172 4.872526 0.367300 0.513820 -0.050637 21 H 0.000002 0.367300 0.609935 -0.049389 -0.007043 22 C 0.000173 0.513820 -0.049389 4.855487 0.366588 23 H 0.000002 -0.050637 -0.007043 0.366588 0.613924 Mulliken charges: 1 1 C -0.149484 2 C -0.147678 3 C -0.274236 4 H 0.123758 5 H 0.148280 6 C -0.282127 7 H 0.131478 8 H 0.150431 9 H 0.125110 10 H 0.124671 11 C 0.079340 12 H 0.159996 13 C 0.076967 14 H 0.160411 15 O -0.478045 16 O -0.478654 17 C 0.207924 18 H 0.152540 19 H 0.125975 20 C -0.104688 21 H 0.124052 22 C -0.098665 23 H 0.122645 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.024813 2 C -0.022567 3 C -0.002198 6 C -0.000218 11 C 0.239336 13 C 0.237378 15 O -0.478045 16 O -0.478654 17 C 0.486439 20 C 0.019363 22 C 0.023979 Electronic spatial extent (au): = 1484.9954 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1341 Y= -0.0463 Z= -1.0845 Tot= 1.0937 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5592 YY= -66.2923 ZZ= -62.1513 XY= -0.1414 XZ= -2.8487 YZ= -0.0383 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4417 YY= -2.2914 ZZ= 1.8496 XY= -0.1414 XZ= -2.8487 YZ= -0.0383 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7838 YYY= -0.0912 ZZZ= -0.8762 XYY= 4.1013 XXY= -0.3112 XXZ= 0.3209 XZZ= -10.9628 YZZ= -0.3309 YYZ= -2.7999 XYZ= 0.1665 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1040.1285 YYYY= -453.4847 ZZZZ= -374.8603 XXXY= 0.4596 XXXZ= -19.3464 YYYX= -0.5159 YYYZ= -0.0379 ZZZX= -10.4671 ZZZY= 0.9814 XXYY= -281.1542 XXZZ= -254.8950 YYZZ= -134.5169 XXYZ= -0.3829 YYXZ= -1.2096 ZZXY= -0.6311 N-N= 6.491857336998D+02 E-N=-2.463476648026D+03 KE= 4.958711097596D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168275 29.026301 2 O -19.167881 29.026318 3 O -10.285964 15.888300 4 O -10.237350 15.881729 5 O -10.236632 15.891318 6 O -10.186387 15.883678 7 O -10.186135 15.888603 8 O -10.185293 15.885764 9 O -10.184167 15.887759 10 O -10.169173 15.876720 11 O -10.168667 15.885974 12 O -1.102048 2.290461 13 O -1.006343 2.783754 14 O -0.830796 1.393299 15 O -0.761065 1.732722 16 O -0.736063 1.473929 17 O -0.730290 1.511213 18 O -0.641422 1.871045 19 O -0.607884 1.661082 20 O -0.606897 1.540748 21 O -0.585382 1.405609 22 O -0.528781 1.344025 23 O -0.500624 1.235338 24 O -0.494794 0.989078 25 O -0.470907 1.371823 26 O -0.452951 1.164112 27 O -0.451383 1.531195 28 O -0.439788 1.447680 29 O -0.409846 1.361398 30 O -0.397332 1.229704 31 O -0.388627 1.328995 32 O -0.379540 1.745811 33 O -0.362290 1.615145 34 O -0.350917 2.001457 35 O -0.345777 1.381598 36 O -0.328355 2.063440 37 O -0.322359 1.474817 38 O -0.316908 1.382842 39 O -0.274537 1.484097 40 O -0.196281 1.368269 41 O -0.190401 1.728407 42 V -0.004545 1.486491 43 V 0.015421 1.609128 44 V 0.081357 0.916753 45 V 0.109257 1.684717 46 V 0.112852 1.188173 47 V 0.119615 0.938022 48 V 0.130253 1.040676 49 V 0.134205 1.156027 50 V 0.145559 1.763003 51 V 0.154552 1.474700 52 V 0.169590 1.343333 53 V 0.171345 1.180731 54 V 0.175088 1.477704 55 V 0.179418 1.646891 56 V 0.196740 1.267674 57 V 0.203082 1.241511 58 V 0.212225 2.205135 59 V 0.237605 1.409328 60 V 0.244436 1.408183 61 V 0.252389 1.325894 62 V 0.304698 1.658301 63 V 0.317511 1.463670 64 V 0.328815 1.785192 65 V 0.375809 2.420312 66 V 0.433306 1.958993 67 V 0.471259 1.836919 68 V 0.482585 1.847446 69 V 0.487458 1.730882 70 V 0.506104 1.939559 71 V 0.530997 2.131170 72 V 0.534467 2.087227 73 V 0.547124 2.672793 74 V 0.570340 2.018979 75 V 0.573373 2.098129 76 V 0.582456 1.958764 77 V 0.583420 2.269240 78 V 0.606252 2.039496 79 V 0.626380 1.949008 80 V 0.645921 2.531370 81 V 0.651283 2.580623 82 V 0.679305 2.394059 83 V 0.693198 2.230124 84 V 0.724726 2.436577 85 V 0.736125 2.464032 86 V 0.746829 2.126473 87 V 0.766146 2.607463 88 V 0.804652 2.666186 89 V 0.813448 2.505203 90 V 0.824515 2.641618 91 V 0.833890 2.558532 92 V 0.846365 2.609857 93 V 0.854142 2.596825 94 V 0.859698 2.560540 95 V 0.867046 2.686784 96 V 0.880996 2.562192 97 V 0.887071 2.720103 98 V 0.893979 2.656991 99 V 0.898631 2.447018 100 V 0.903996 2.642451 101 V 0.919441 2.639021 102 V 0.950087 2.589029 103 V 0.962274 2.709204 104 V 0.973550 2.530850 105 V 0.986637 2.689483 106 V 1.011569 2.618010 107 V 1.053819 2.444713 108 V 1.076086 2.864628 109 V 1.120413 2.664160 110 V 1.128862 2.442389 111 V 1.139165 2.522230 112 V 1.148454 2.901408 113 V 1.197428 2.610456 114 V 1.203419 2.514291 115 V 1.252309 2.443405 116 V 1.289920 2.605503 117 V 1.312688 3.069953 118 V 1.330837 2.544367 119 V 1.399038 2.552316 120 V 1.414080 2.589397 121 V 1.441629 2.616243 122 V 1.461726 2.626397 123 V 1.488257 2.661985 124 V 1.532650 2.744551 125 V 1.564763 2.819241 126 V 1.583080 2.784219 127 V 1.628802 2.827559 128 V 1.644072 2.796103 129 V 1.680799 2.873806 130 V 1.729408 2.875348 131 V 1.745710 2.868838 132 V 1.758325 3.115657 133 V 1.791678 3.002614 134 V 1.854640 3.092906 135 V 1.872317 3.176232 136 V 1.893782 3.371761 137 V 1.903479 3.260919 138 V 1.944514 3.283070 139 V 1.959309 3.448170 140 V 1.964974 3.444976 141 V 1.988969 3.721227 142 V 2.012673 3.679550 143 V 2.015349 3.676441 144 V 2.022773 3.498622 145 V 2.059388 3.570345 146 V 2.076510 3.493474 147 V 2.099647 3.474615 148 V 2.112507 3.535055 149 V 2.181053 3.671343 150 V 2.183644 3.636163 151 V 2.238220 3.550902 152 V 2.260457 3.624069 153 V 2.277370 3.571686 154 V 2.282289 3.545620 155 V 2.314297 3.659486 156 V 2.322483 3.661625 157 V 2.375179 3.756291 158 V 2.413707 3.849067 159 V 2.438874 3.817575 160 V 2.457884 3.770012 161 V 2.471152 3.888067 162 V 2.482301 3.841946 163 V 2.510416 4.030342 164 V 2.546839 3.944231 165 V 2.591134 4.379861 166 V 2.635676 4.404918 167 V 2.648836 4.254654 168 V 2.674205 4.232923 169 V 2.692323 4.392428 170 V 2.701356 4.315738 171 V 2.754622 4.306623 172 V 2.767872 4.288059 173 V 2.803459 4.637496 174 V 2.888662 4.501895 175 V 2.896853 4.659921 176 V 2.943332 4.756886 177 V 3.132809 4.948496 178 V 3.137561 4.864212 179 V 4.012087 10.924008 180 V 4.123274 10.757716 181 V 4.128043 10.145022 182 V 4.223255 10.318321 183 V 4.288444 10.231563 184 V 4.360770 10.435313 185 V 4.379395 10.331478 186 V 4.448148 10.393863 187 V 4.508012 10.502128 188 V 4.602839 10.563543 189 V 4.866116 11.524740 Total kinetic energy from orbitals= 4.958711097596D+02 1|1| IMPERIAL COLLEGE-CHWS-118|SP|RB3LYP|6-31G(d)|C9H12O2|ZX2015|20-No v-2017|0||# b3lyp/6-31g(d) geom=connectivity gfprint integral=grid=ult rafine pop=full||Title Card Required||0,1|C,0,0.2012384,0.13931888,0.| C,0,0.2012914,-2.59346412,-0.000023|C,0,1.1811464,-0.44821012,-0.99432 9|H,0,0.88054084,-0.05527125,-1.97491299|H,0,2.20714728,-0.08713792,-0 .83894832|C,0,1.1811764,-2.00587512,-0.994341|H,0,1.08397626,-2.398810 03,-2.01535189|H,0,2.15496672,-2.36690949,-0.63575917|H,0,0.0624714,-3 .67241212,-0.048629|H,0,0.0623654,1.21826088,-0.048583|C,0,-1.6573736, -1.91876012,-1.176905|H,0,-1.3521706,-2.57326912,-1.981828|C,0,-1.6573 766,-0.53536012,-1.176876|H,0,-1.3521666,0.11918388,-1.981767|O,0,-2.6 987556,-2.37113312,-0.370087|O,0,-2.6987496,-0.08303412,-0.370037|C,0, -3.4890456,-1.22707112,-0.079419|H,0,-3.7572766,-1.22709912,0.980745|H ,0,-4.3962256,-1.22703912,-0.709503|C,0,-0.0879156,-1.93280812,1.17978 4|H,0,-0.5311826,-2.47245012,2.012874|C,0,-0.0879406,-0.52137212,1.179 797|H,0,-0.5312316,0.01823688,2.012896||Version=EM64W-G09RevD.01|State =1-A|HF=-500.4885962|RMSD=7.222e-009|Dipole=0.0527462,-0.0223888,-0.42 64696|Quadrupole=0.3281604,-1.7034968,1.3753364,-0.1280984,-2.1168769, 0.0038745|PG=C01 [X(C9H12O2)]||@ CHEMISTRY BEGAN BY SAYING IT WOULD CHANGE THE BASER METALS INTO GOLD. BY NOT DOING THAT IT HAS DONE MUCH GREATER THINGS. -- RALPH WALDO EMERSON Job cpu time: 0 days 0 hours 1 minutes 24.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Mon Nov 20 15:58:22 2017.