Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 10504. 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 02-Nov-2016 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\jv1214\Desktop\lab1-comp-ts\ex2\3endo-min-ts-ener.chk Default route: MaxDisk=10GB --------------------------------------------------- # b3lyp/6-31g(d) geom=connectivity pop=full gfprint --------------------------------------------------- 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=-5/1,2,3; 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 -2.38567 -0.00009 -0.65931 H -3.45091 -0.00022 -0.37473 H -2.32999 -0.00002 -1.74931 C -1.70649 1.15437 0.04276 H -1.87283 2.19579 -0.2108 C -1.37771 0.69958 1.33143 H -1.05061 1.32919 2.15156 C -1.70624 -1.15451 0.0426 H -1.87263 -2.19594 -0.21094 C -1.37758 -0.69978 1.33136 H -1.05039 -1.32942 2.15145 C 0.13914 -0.70503 -1.07686 C 1.11216 -1.46087 -0.25629 C 1.91039 -0.67237 0.72176 C 1.91031 0.67258 0.72175 C 1.11199 1.46098 -0.25632 C 0.13917 0.70503 -1.07692 H -0.22054 -1.2463 -1.94714 H 2.53229 -1.25292 1.3989 H 2.53213 1.25322 1.39889 H -0.22068 1.24626 -1.94715 O 1.27407 2.67255 -0.36604 O 1.27435 -2.67242 -0.36602 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.385671 -0.000088 -0.659313 2 1 0 -3.450911 -0.000221 -0.374725 3 1 0 -2.329992 -0.000018 -1.749309 4 6 0 -1.706487 1.154371 0.042764 5 1 0 -1.872833 2.195794 -0.210803 6 6 0 -1.377714 0.699576 1.331426 7 1 0 -1.050612 1.329187 2.151562 8 6 0 -1.706239 -1.154514 0.042601 9 1 0 -1.872628 -2.195945 -0.210940 10 6 0 -1.377582 -0.699781 1.331364 11 1 0 -1.050387 -1.329416 2.151445 12 6 0 0.139144 -0.705032 -1.076857 13 6 0 1.112156 -1.460873 -0.256289 14 6 0 1.910394 -0.672375 0.721755 15 6 0 1.910309 0.672581 0.721746 16 6 0 1.111995 1.460985 -0.256321 17 6 0 0.139167 0.705028 -1.076923 18 1 0 -0.220543 -1.246304 -1.947139 19 1 0 2.532293 -1.252924 1.398902 20 1 0 2.532132 1.253215 1.398891 21 1 0 -0.220684 1.246262 -1.947150 22 8 0 1.274069 2.672554 -0.366037 23 8 0 1.274347 -2.672416 -0.366019 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.102600 0.000000 3 H 1.091417 1.773680 0.000000 4 C 1.512276 2.133166 2.221013 0.000000 5 H 2.299144 2.709185 2.719850 1.084679 0.000000 6 C 2.338493 2.774674 3.299575 1.405553 2.205058 7 H 3.383840 3.729730 4.315135 2.215347 2.647229 8 C 1.512287 2.133175 2.221007 2.308885 3.364005 9 H 2.299139 2.709060 2.719900 3.364014 4.391739 10 C 2.338506 2.774675 3.299591 2.281787 3.317817 11 H 3.383853 3.729720 4.315156 3.323583 4.322469 12 C 2.654426 3.725351 2.654405 2.849085 3.634954 13 C 3.811970 4.792610 4.026361 3.856642 4.720534 14 C 4.562400 5.513406 4.953695 4.108510 4.838270 15 C 4.562374 5.513401 4.953651 3.711382 4.183538 16 C 3.811928 4.792624 4.026265 2.850842 3.074282 17 C 2.654504 3.725468 2.654419 2.205005 2.649658 18 H 2.810575 3.802695 2.458077 3.454126 4.194397 19 H 5.476515 6.365041 5.926451 5.059786 5.821507 20 H 5.476473 6.365031 5.926382 4.451375 4.783647 21 H 2.810530 3.802710 2.457953 2.485118 2.578004 22 O 4.541225 5.428558 4.695247 3.369824 3.186596 23 O 4.541266 5.428514 4.695366 4.867934 5.798992 6 7 8 9 10 6 C 0.000000 7 H 1.084448 0.000000 8 C 2.281808 3.323603 0.000000 9 H 3.317812 4.322462 1.084687 0.000000 10 C 1.399357 2.212769 1.405599 2.205057 0.000000 11 H 2.212777 2.658603 2.215391 2.647228 1.084449 12 C 3.173894 3.997030 2.204690 2.649502 2.846052 13 C 3.658938 4.273143 2.850709 3.074300 3.049377 14 C 3.614637 3.849435 3.711299 4.183592 3.344123 15 C 3.344179 3.352993 4.108398 4.838281 3.614587 16 C 3.049481 3.239157 3.856504 4.720505 3.658913 17 C 2.846243 3.496893 2.848991 3.634953 3.173934 18 H 3.984279 4.911366 2.484911 2.577904 3.519376 19 H 4.370922 4.480067 4.451336 4.783744 3.949386 20 H 3.949425 3.661740 5.059690 5.821526 4.370883 21 H 3.519466 4.182713 3.453941 4.194298 3.984237 22 O 3.715639 3.680636 4.867820 5.798969 4.613575 23 O 4.613575 5.268442 3.369702 3.186617 3.715525 11 12 13 14 15 11 H 0.000000 12 C 3.496680 0.000000 13 C 3.238990 1.480331 0.000000 14 C 3.352900 2.524559 1.488450 0.000000 15 C 3.849383 2.875729 2.478957 1.344956 0.000000 16 C 4.273122 2.512239 2.921858 2.478971 1.488457 17 C 3.997043 1.410060 2.512225 2.875713 2.524521 18 H 4.182576 1.086159 2.163584 3.463132 3.917346 19 H 3.661662 3.486650 2.190820 1.087347 2.133769 20 H 4.480040 3.961117 3.481699 2.133769 1.087347 21 H 4.911314 2.166664 3.458909 3.917361 3.463127 22 O 5.268451 3.633374 4.138053 3.574458 2.363888 23 O 3.680444 2.380038 1.227267 2.363890 3.574449 16 17 18 19 20 16 C 0.000000 17 C 1.480287 0.000000 18 H 3.458892 2.166648 0.000000 19 H 3.481711 3.961103 4.332914 0.000000 20 H 2.190818 3.486609 5.002073 2.506139 0.000000 21 H 2.163571 1.086150 2.492567 5.002087 4.332901 22 O 1.227276 2.380026 4.482321 4.484140 2.590794 23 O 4.138043 3.633338 2.601621 2.590817 4.484140 21 22 23 21 H 0.000000 22 O 2.601637 0.000000 23 O 4.482314 5.344971 0.000000 Stoichiometry C11H10O2 Framework group C1[X(C11H10O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.385671 -0.000088 -0.659313 2 1 0 -3.450911 -0.000221 -0.374725 3 1 0 -2.329992 -0.000018 -1.749309 4 6 0 -1.706487 1.154371 0.042764 5 1 0 -1.872833 2.195794 -0.210803 6 6 0 -1.377714 0.699576 1.331426 7 1 0 -1.050612 1.329187 2.151562 8 6 0 -1.706239 -1.154514 0.042601 9 1 0 -1.872628 -2.195945 -0.210940 10 6 0 -1.377582 -0.699781 1.331364 11 1 0 -1.050387 -1.329416 2.151445 12 6 0 0.139144 -0.705032 -1.076857 13 6 0 1.112156 -1.460873 -0.256289 14 6 0 1.910394 -0.672375 0.721755 15 6 0 1.910309 0.672581 0.721746 16 6 0 1.111995 1.460985 -0.256321 17 6 0 0.139167 0.705028 -1.076923 18 1 0 -0.220543 -1.246304 -1.947139 19 1 0 2.532293 -1.252924 1.398902 20 1 0 2.532132 1.253215 1.398891 21 1 0 -0.220684 1.246262 -1.947150 22 8 0 1.274069 2.672554 -0.366037 23 8 0 1.274347 -2.672417 -0.366019 --------------------------------------------------------------------- Rotational constants (GHZ): 1.0448230 0.9887267 0.6658193 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -4.508264434889 -0.000166007719 -1.245921552229 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 -4.508264434889 -0.000166007719 -1.245921552229 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 -4.508264434889 -0.000166007719 -1.245921552229 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -4.508264434889 -0.000166007719 -1.245921552229 0.8000000000D+00 0.1000000000D+01 Atom H2 Shell 5 S 3 bf 16 - 16 -6.521276508556 -0.000417057841 -0.708128436085 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H2 Shell 6 S 1 bf 17 - 17 -6.521276508556 -0.000417057841 -0.708128436085 0.1612777588D+00 0.1000000000D+01 Atom H3 Shell 7 S 3 bf 18 - 18 -4.403046335740 -0.000033897953 -3.305715326991 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H3 Shell 8 S 1 bf 19 - 19 -4.403046335740 -0.000033897953 -3.305715326991 0.1612777588D+00 0.1000000000D+01 Atom C4 Shell 9 S 6 bf 20 - 20 -3.224792981830 2.181445775414 0.080812098812 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 10 SP 3 bf 21 - 24 -3.224792981830 2.181445775414 0.080812098812 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 11 SP 1 bf 25 - 28 -3.224792981830 2.181445775414 0.080812098812 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 12 D 1 bf 29 - 34 -3.224792981830 2.181445775414 0.080812098812 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 13 S 3 bf 35 - 35 -3.539140893126 4.149449658908 -0.398360163115 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 14 S 1 bf 36 - 36 -3.539140893126 4.149449658908 -0.398360163115 0.1612777588D+00 0.1000000000D+01 Atom C6 Shell 15 S 6 bf 37 - 37 -2.603501436399 1.322007357238 2.516030035415 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 16 SP 3 bf 38 - 41 -2.603501436399 1.322007357238 2.516030035415 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 17 SP 1 bf 42 - 45 -2.603501436399 1.322007357238 2.516030035415 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 18 D 1 bf 46 - 51 -2.603501436399 1.322007357238 2.516030035415 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 19 S 3 bf 52 - 52 -1.985368945809 2.511799541614 4.065862467135 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 20 S 1 bf 53 - 53 -1.985368945809 2.511799541614 4.065862467135 0.1612777588D+00 0.1000000000D+01 Atom C8 Shell 21 S 6 bf 54 - 54 -3.224324125033 -2.181715132733 0.080503789993 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C8 Shell 22 SP 3 bf 55 - 58 -3.224324125033 -2.181715132733 0.080503789993 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C8 Shell 23 SP 1 bf 59 - 62 -3.224324125033 -2.181715132733 0.080503789993 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C8 Shell 24 D 1 bf 63 - 68 -3.224324125033 -2.181715132733 0.080503789993 0.8000000000D+00 0.1000000000D+01 Atom H9 Shell 25 S 3 bf 69 - 69 -3.538753955103 -4.149734524976 -0.398619036698 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 -3.538753955103 -4.149734524976 -0.398619036698 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 27 S 6 bf 71 - 71 -2.603252565388 -1.322394720716 2.515913118059 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 C10 Shell 28 SP 3 bf 72 - 75 -2.603252565388 -1.322394720716 2.515913118059 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 C10 Shell 29 SP 1 bf 76 - 79 -2.603252565388 -1.322394720716 2.515913118059 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 30 D 1 bf 80 - 85 -2.603252565388 -1.322394720716 2.515913118059 0.8000000000D+00 0.1000000000D+01 Atom H11 Shell 31 S 3 bf 86 - 86 -1.984943596710 -2.512231211876 4.065642484116 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 32 S 1 bf 87 - 87 -1.984943596710 -2.512231211876 4.065642484116 0.1612777588D+00 0.1000000000D+01 Atom C12 Shell 33 S 6 bf 88 - 88 0.262943852996 -1.332317075930 -2.034964510281 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 C12 Shell 34 SP 3 bf 89 - 92 0.262943852996 -1.332317075930 -2.034964510281 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 C12 Shell 35 SP 1 bf 93 - 96 0.262943852996 -1.332317075930 -2.034964510281 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 36 D 1 bf 97 - 102 0.262943852996 -1.332317075930 -2.034964510281 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 2.101669627862 -2.760650433569 -0.484316737324 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 38 SP 3 bf 104 - 107 2.101669627862 -2.760650433569 -0.484316737324 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 39 SP 1 bf 108 - 111 2.101669627862 -2.760650433569 -0.484316737324 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 2.101669627862 -2.760650433569 -0.484316737324 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 41 S 6 bf 118 - 118 3.610120926298 -1.270604358816 1.363919551246 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C14 Shell 42 SP 3 bf 119 - 122 3.610120926298 -1.270604358816 1.363919551246 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C14 Shell 43 SP 1 bf 123 - 126 3.610120926298 -1.270604358816 1.363919551246 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 44 D 1 bf 127 - 132 3.610120926298 -1.270604358816 1.363919551246 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 45 S 6 bf 133 - 133 3.609961513957 1.270993631741 1.363902392532 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 C15 Shell 46 SP 3 bf 134 - 137 3.609961513957 1.270993631741 1.363902392532 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 C15 Shell 47 SP 1 bf 138 - 141 3.609961513957 1.270993631741 1.363902392532 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 48 D 1 bf 142 - 147 3.609961513957 1.270993631741 1.363902392532 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 2.101365395980 2.760860664361 -0.484377397533 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 50 SP 3 bf 149 - 152 2.101365395980 2.760860664361 -0.484377397533 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 51 SP 1 bf 153 - 156 2.101365395980 2.760860664361 -0.484377397533 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 2.101365395980 2.760860664361 -0.484377397533 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 53 S 6 bf 163 - 163 0.262987228321 1.332309418014 -2.035088608597 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 54 SP 3 bf 164 - 167 0.262987228321 1.332309418014 -2.035088608597 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 55 SP 1 bf 168 - 171 0.262987228321 1.332309418014 -2.035088608597 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 56 D 1 bf 172 - 177 0.262987228321 1.332309418014 -2.035088608597 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 -0.416765683321 -2.355173952299 -3.679559243148 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 -0.416765683321 -2.355173952299 -3.679559243148 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 4.785340596488 -2.367682740902 2.643541536108 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 4.785340596488 -2.367682740902 2.643541536108 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 4.785035601343 2.368233638942 2.643520144409 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 4.785035601343 2.368233638942 2.643520144409 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -0.417032827492 2.355094478654 -3.679579387628 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 -0.417032827492 2.355094478654 -3.679579387628 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 65 S 6 bf 186 - 186 2.407642383613 5.050395472005 -0.691709342709 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 O22 Shell 66 SP 3 bf 187 - 190 2.407642383613 5.050395472005 -0.691709342709 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 O22 Shell 67 SP 1 bf 191 - 194 2.407642383613 5.050395472005 -0.691709342709 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 68 D 1 bf 195 - 200 2.407642383613 5.050395472005 -0.691709342709 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 69 S 6 bf 201 - 201 2.408166933484 -5.050135301503 -0.691675422125 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 O23 Shell 70 SP 3 bf 202 - 205 2.408166933484 -5.050135301503 -0.691675422125 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 O23 Shell 71 SP 1 bf 206 - 209 2.408166933484 -5.050135301503 -0.691675422125 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 72 D 1 bf 210 - 215 2.408166933484 -5.050135301503 -0.691675422125 0.8000000000D+00 0.1000000000D+01 There are 215 symmetry adapted cartesian basis functions of A symmetry. There are 215 symmetry adapted basis functions of A symmetry. 215 basis functions, 404 primitive gaussians, 215 cartesian basis functions 46 alpha electrons 46 beta electrons nuclear repulsion energy 776.2478145055 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 215 RedAO= T EigKep= 6.19D-04 NBF= 215 NBsUse= 215 1.00D-06 EigRej= -1.00D+00 NBFU= 215 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 1 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -575.529185447 A.U. after 16 cycles NFock= 16 Conv=0.43D-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) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.13270 -19.13269 -10.27484 -10.27482 -10.22602 Alpha occ. eigenvalues -- -10.22601 -10.21468 -10.21387 -10.21359 -10.20936 Alpha occ. eigenvalues -- -10.20886 -10.20768 -10.20714 -1.03153 -1.02944 Alpha occ. eigenvalues -- -0.88965 -0.83373 -0.76995 -0.72879 -0.72786 Alpha occ. eigenvalues -- -0.68579 -0.62326 -0.58491 -0.57991 -0.54923 Alpha occ. eigenvalues -- -0.53777 -0.49217 -0.48233 -0.46758 -0.46721 Alpha occ. eigenvalues -- -0.44676 -0.41702 -0.40751 -0.40696 -0.40005 Alpha occ. eigenvalues -- -0.39571 -0.39320 -0.39081 -0.37877 -0.37211 Alpha occ. eigenvalues -- -0.32853 -0.28686 -0.25805 -0.25401 -0.25143 Alpha occ. eigenvalues -- -0.24115 Alpha virt. eigenvalues -- -0.09083 -0.03741 -0.02161 0.04090 0.06873 Alpha virt. eigenvalues -- 0.08015 0.10835 0.12069 0.13553 0.13578 Alpha virt. eigenvalues -- 0.15095 0.15137 0.15962 0.17377 0.17488 Alpha virt. eigenvalues -- 0.19695 0.19872 0.20671 0.21915 0.25273 Alpha virt. eigenvalues -- 0.26950 0.29513 0.31836 0.33573 0.34534 Alpha virt. eigenvalues -- 0.36194 0.37930 0.43061 0.44858 0.48427 Alpha virt. eigenvalues -- 0.48557 0.50353 0.51924 0.52833 0.54431 Alpha virt. eigenvalues -- 0.54780 0.56139 0.56698 0.58444 0.60222 Alpha virt. eigenvalues -- 0.61792 0.62438 0.64903 0.65694 0.66456 Alpha virt. eigenvalues -- 0.67571 0.69248 0.72473 0.72857 0.74559 Alpha virt. eigenvalues -- 0.75001 0.76837 0.79222 0.80416 0.81540 Alpha virt. eigenvalues -- 0.82128 0.82602 0.82683 0.83929 0.84247 Alpha virt. eigenvalues -- 0.86570 0.87301 0.88290 0.89335 0.91568 Alpha virt. eigenvalues -- 0.92348 0.92857 0.94900 0.95853 0.96806 Alpha virt. eigenvalues -- 0.99206 1.01520 1.04642 1.05792 1.06962 Alpha virt. eigenvalues -- 1.09271 1.12491 1.14722 1.18132 1.20915 Alpha virt. eigenvalues -- 1.22391 1.23322 1.27425 1.28321 1.34127 Alpha virt. eigenvalues -- 1.35784 1.40075 1.40783 1.41777 1.42120 Alpha virt. eigenvalues -- 1.43719 1.45358 1.48632 1.52243 1.53988 Alpha virt. eigenvalues -- 1.54510 1.62888 1.64045 1.65244 1.70180 Alpha virt. eigenvalues -- 1.77130 1.77521 1.79455 1.83237 1.84514 Alpha virt. eigenvalues -- 1.84711 1.85948 1.89009 1.90250 1.91037 Alpha virt. eigenvalues -- 1.91977 1.92512 1.94244 1.98302 1.98585 Alpha virt. eigenvalues -- 2.02453 2.04217 2.05220 2.08270 2.09849 Alpha virt. eigenvalues -- 2.10498 2.11475 2.13659 2.20186 2.20444 Alpha virt. eigenvalues -- 2.21750 2.24213 2.27769 2.28221 2.30751 Alpha virt. eigenvalues -- 2.32015 2.34403 2.36808 2.40392 2.45224 Alpha virt. eigenvalues -- 2.47119 2.50713 2.57242 2.57978 2.59744 Alpha virt. eigenvalues -- 2.62871 2.62891 2.63408 2.65581 2.66894 Alpha virt. eigenvalues -- 2.68095 2.71163 2.76375 2.83236 2.91142 Alpha virt. eigenvalues -- 2.95535 2.96970 2.97906 3.01623 3.18205 Alpha virt. eigenvalues -- 3.25410 3.99313 4.03179 4.08892 4.18641 Alpha virt. eigenvalues -- 4.25645 4.30659 4.35387 4.36547 4.52467 Alpha virt. eigenvalues -- 4.54438 4.63809 4.66214 4.94537 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.13270 -19.13269 -10.27484 -10.27482 -10.22602 1 1 C 1S 0.00000 0.00000 -0.00001 -0.00002 0.00199 2 2S 0.00002 0.00002 -0.00005 -0.00014 0.00007 3 2PX 0.00000 0.00000 0.00002 0.00006 0.00001 4 2PY 0.00003 -0.00002 -0.00007 0.00003 -0.00028 5 2PZ -0.00002 -0.00002 0.00001 0.00002 -0.00001 6 3S -0.00029 -0.00034 0.00060 0.00150 0.00107 7 3PX -0.00016 -0.00018 0.00016 0.00040 0.00023 8 3PY -0.00002 0.00001 -0.00019 0.00008 -0.00293 9 3PZ -0.00008 -0.00009 0.00033 0.00083 0.00029 10 4XX 0.00000 0.00000 0.00001 0.00003 -0.00003 11 4YY 0.00001 0.00001 0.00001 0.00001 -0.00008 12 4ZZ -0.00001 -0.00001 0.00001 0.00003 -0.00005 13 4XY 0.00000 0.00000 -0.00003 0.00001 0.00007 14 4XZ -0.00001 -0.00001 0.00001 0.00003 -0.00002 15 4YZ 0.00000 0.00000 -0.00004 0.00002 0.00012 16 2 H 1S 0.00000 0.00000 -0.00003 -0.00007 -0.00005 17 2S -0.00002 -0.00002 0.00001 0.00001 0.00002 18 3 H 1S 0.00002 0.00002 -0.00001 -0.00004 -0.00003 19 2S -0.00003 -0.00004 0.00016 0.00039 0.00002 20 4 C 1S 0.00001 -0.00004 0.00004 -0.00001 -0.59530 21 2S 0.00005 -0.00019 -0.00005 0.00013 -0.03101 22 2PX -0.00002 -0.00002 0.00011 -0.00013 -0.00018 23 2PY 0.00001 0.00001 -0.00002 -0.00008 0.00047 24 2PZ -0.00001 -0.00001 0.00006 -0.00001 0.00017 25 3S -0.00032 0.00119 0.00121 -0.00185 0.01729 26 3PX -0.00012 0.00031 0.00021 0.00018 0.00174 27 3PY 0.00003 -0.00046 -0.00062 0.00161 -0.00560 28 3PZ -0.00015 0.00026 0.00053 -0.00065 0.00135 29 4XX -0.00001 -0.00003 0.00010 -0.00003 0.00512 30 4YY 0.00000 -0.00006 0.00005 -0.00006 0.00516 31 4ZZ 0.00000 -0.00006 0.00005 -0.00006 0.00504 32 4XY 0.00001 -0.00001 -0.00004 0.00000 -0.00008 33 4XZ 0.00001 0.00000 0.00000 -0.00003 -0.00004 34 4YZ 0.00001 0.00000 0.00000 -0.00003 0.00007 35 5 H 1S 0.00001 0.00001 0.00001 -0.00008 0.00020 36 2S 0.00000 0.00008 0.00021 -0.00063 0.00021 37 6 C 1S -0.00001 0.00001 0.00013 -0.00014 -0.00809 38 2S -0.00004 0.00006 0.00035 -0.00032 -0.00013 39 2PX 0.00000 -0.00002 0.00007 -0.00013 -0.00009 40 2PY -0.00002 -0.00002 0.00004 -0.00002 0.00009 41 2PZ 0.00001 0.00003 -0.00007 0.00003 -0.00007 42 3S 0.00065 -0.00089 -0.00342 0.00264 -0.00907 43 3PX -0.00004 0.00010 -0.00011 0.00008 0.00106 44 3PY -0.00013 0.00019 0.00097 -0.00032 0.00140 45 3PZ -0.00024 0.00041 0.00140 -0.00117 0.00431 46 4XX -0.00002 0.00001 0.00017 -0.00015 0.00017 47 4YY 0.00000 -0.00002 0.00012 -0.00015 0.00024 48 4ZZ -0.00002 -0.00001 0.00008 -0.00005 0.00029 49 4XY 0.00000 0.00000 0.00003 0.00001 -0.00006 50 4XZ 0.00000 0.00001 -0.00001 0.00002 0.00009 51 4YZ -0.00001 0.00000 -0.00002 0.00001 -0.00003 52 7 H 1S 0.00000 -0.00002 0.00002 -0.00006 -0.00003 53 2S 0.00002 -0.00005 -0.00026 0.00014 -0.00081 54 8 C 1S -0.00004 0.00000 -0.00004 0.00002 0.79510 55 2S -0.00019 0.00002 0.00013 0.00007 0.04107 56 2PX -0.00002 -0.00002 -0.00017 -0.00001 0.00024 57 2PY -0.00001 -0.00002 0.00004 0.00007 0.00058 58 2PZ 0.00000 -0.00001 -0.00005 0.00003 -0.00016 59 3S 0.00123 -0.00014 -0.00215 -0.00051 -0.02143 60 3PX 0.00033 -0.00008 -0.00003 0.00028 -0.00190 61 3PY 0.00046 0.00003 -0.00156 -0.00075 -0.00641 62 3PZ 0.00028 -0.00011 -0.00084 -0.00011 -0.00156 63 4XX -0.00003 -0.00002 -0.00009 0.00005 -0.00694 64 4YY -0.00006 -0.00001 -0.00008 -0.00001 -0.00685 65 4ZZ -0.00006 0.00000 -0.00007 -0.00001 -0.00681 66 4XY 0.00001 -0.00001 -0.00003 0.00003 -0.00006 67 4XZ 0.00000 0.00001 -0.00002 -0.00002 0.00006 68 4YZ 0.00001 -0.00001 0.00002 0.00002 0.00010 69 9 H 1S 0.00000 0.00001 -0.00007 -0.00005 -0.00028 70 2S 0.00008 0.00002 -0.00059 -0.00032 0.00012 71 10 C 1S 0.00001 -0.00001 -0.00020 -0.00001 0.01091 72 2S 0.00006 -0.00003 -0.00047 0.00000 0.00016 73 2PX -0.00002 0.00000 -0.00014 -0.00005 0.00011 74 2PY 0.00002 0.00002 0.00005 -0.00001 0.00008 75 2PZ 0.00003 0.00001 0.00008 -0.00003 0.00008 76 3S -0.00098 0.00052 0.00430 -0.00044 0.01030 77 3PX 0.00010 -0.00003 0.00013 -0.00002 -0.00118 78 3PY -0.00021 0.00010 0.00093 -0.00043 0.00134 79 3PZ 0.00044 -0.00018 -0.00182 0.00012 -0.00491 80 4XX 0.00001 -0.00002 -0.00023 0.00000 -0.00022 81 4YY -0.00002 0.00000 -0.00018 -0.00003 -0.00027 82 4ZZ -0.00001 -0.00002 -0.00009 0.00002 -0.00035 83 4XY 0.00000 0.00000 0.00002 -0.00003 -0.00007 84 4XZ 0.00001 0.00000 0.00002 0.00001 -0.00011 85 4YZ 0.00000 0.00001 -0.00002 0.00001 -0.00008 86 11 H 1S -0.00002 0.00000 -0.00005 -0.00003 0.00000 87 2S -0.00005 0.00002 0.00029 -0.00008 0.00091 88 12 C 1S 0.00006 0.00000 0.00188 0.00083 -0.00031 89 2S 0.00032 -0.00001 -0.00047 -0.00010 -0.00130 90 2PX -0.00006 0.00004 -0.00005 -0.00015 0.00001 91 2PY 0.00003 0.00009 0.00006 -0.00014 0.00009 92 2PZ 0.00005 0.00002 -0.00009 -0.00007 -0.00008 93 3S -0.00361 0.00187 0.01146 -0.00091 0.00899 94 3PX -0.00085 0.00008 0.00329 0.00033 -0.00180 95 3PY -0.00163 0.00081 0.00295 -0.00086 0.00241 96 3PZ -0.00170 0.00043 0.00401 0.00007 0.00244 97 4XX 0.00004 0.00001 -0.00028 -0.00012 -0.00007 98 4YY -0.00001 0.00004 -0.00027 -0.00011 -0.00031 99 4ZZ 0.00007 0.00003 -0.00027 -0.00013 -0.00023 100 4XY 0.00000 -0.00003 0.00020 0.00007 -0.00001 101 4XZ -0.00004 -0.00001 -0.00003 0.00000 -0.00017 102 4YZ 0.00001 0.00002 0.00012 0.00003 0.00004 103 13 C 1S -0.00006 0.00003 0.91220 0.39248 0.00002 104 2S 0.00022 0.00015 0.04566 0.01921 -0.00001 105 2PX -0.00002 0.00001 0.00000 0.00000 0.00023 106 2PY -0.00005 0.00002 -0.00044 -0.00028 -0.00007 107 2PZ 0.00001 0.00000 0.00005 0.00002 0.00005 108 3S -0.00171 -0.00091 -0.01497 -0.00300 0.00039 109 3PX -0.00092 -0.00002 0.00171 0.00040 0.00040 110 3PY 0.00665 -0.00082 -0.01112 -0.00091 -0.00240 111 3PZ 0.00050 -0.00024 -0.00118 0.00006 -0.00030 112 4XX -0.00009 0.00002 -0.00836 -0.00372 -0.00015 113 4YY -0.00096 0.00001 -0.00731 -0.00336 -0.00004 114 4ZZ -0.00012 0.00003 -0.00833 -0.00372 -0.00004 115 4XY 0.00013 0.00000 -0.00018 -0.00007 0.00003 116 4XZ 0.00005 -0.00003 0.00001 0.00009 0.00000 117 4YZ -0.00007 -0.00001 0.00011 0.00006 -0.00004 118 14 C 1S 0.00002 0.00001 0.00194 0.00086 0.00011 119 2S 0.00019 0.00001 -0.00042 -0.00009 0.00006 120 2PX 0.00001 -0.00002 0.00010 0.00007 -0.00006 121 2PY 0.00004 0.00009 0.00008 -0.00010 -0.00002 122 2PZ 0.00000 -0.00002 0.00014 0.00014 -0.00005 123 3S -0.00270 0.00204 0.01148 -0.00160 0.00088 124 3PX 0.00134 -0.00041 -0.00413 0.00012 -0.00007 125 3PY -0.00171 0.00057 0.00320 -0.00078 0.00069 126 3PZ 0.00129 -0.00036 -0.00416 0.00000 -0.00012 127 4XX -0.00001 0.00002 -0.00022 -0.00012 0.00004 128 4YY -0.00009 0.00004 -0.00032 -0.00009 0.00004 129 4ZZ -0.00001 0.00001 -0.00032 -0.00013 0.00007 130 4XY -0.00001 0.00001 -0.00011 -0.00003 0.00002 131 4XZ -0.00005 -0.00001 -0.00004 0.00000 0.00000 132 4YZ -0.00001 0.00002 -0.00021 -0.00008 -0.00001 133 15 C 1S 0.00000 0.00002 -0.00081 0.00196 -0.00007 134 2S -0.00002 0.00019 0.00025 -0.00036 -0.00003 135 2PX -0.00002 0.00000 -0.00002 0.00012 0.00004 136 2PY -0.00009 -0.00005 0.00013 0.00002 -0.00002 137 2PZ -0.00002 0.00000 0.00000 0.00020 0.00004 138 3S 0.00240 -0.00238 -0.00944 0.00673 -0.00098 139 3PX -0.00060 0.00127 0.00308 -0.00275 0.00010 140 3PY -0.00080 0.00161 0.00286 -0.00163 0.00060 141 3PZ -0.00054 0.00122 0.00302 -0.00286 0.00012 142 4XX 0.00003 -0.00001 0.00007 -0.00024 -0.00002 143 4YY 0.00005 -0.00008 0.00017 -0.00029 -0.00004 144 4ZZ 0.00001 -0.00001 0.00015 -0.00031 -0.00004 145 4XY -0.00001 0.00001 -0.00006 0.00010 0.00002 146 4XZ -0.00001 -0.00005 0.00003 -0.00002 0.00000 147 4YZ -0.00002 0.00001 -0.00010 0.00020 0.00000 148 16 C 1S 0.00004 -0.00006 -0.39267 0.91213 -0.00002 149 2S 0.00012 0.00024 -0.01996 0.04534 0.00002 150 2PX 0.00001 -0.00002 0.00001 0.00000 -0.00020 151 2PY -0.00003 0.00005 -0.00013 0.00050 -0.00005 152 2PZ 0.00000 0.00001 -0.00002 0.00005 -0.00004 153 3S -0.00065 -0.00182 0.00881 -0.01247 -0.00030 154 3PX 0.00012 -0.00091 -0.00097 0.00147 -0.00023 155 3PY 0.00177 -0.00646 -0.00745 0.00831 -0.00197 156 3PZ -0.00030 0.00046 0.00090 -0.00077 0.00035 157 4XX 0.00003 -0.00009 0.00351 -0.00845 0.00014 158 4YY 0.00015 -0.00095 0.00300 -0.00746 0.00005 159 4ZZ 0.00005 -0.00011 0.00349 -0.00843 0.00004 160 4XY 0.00002 -0.00013 -0.00008 0.00018 0.00003 161 4XZ -0.00004 0.00005 0.00005 0.00007 0.00000 162 4YZ 0.00000 0.00007 0.00004 -0.00011 -0.00003 163 17 C 1S 0.00000 0.00006 -0.00079 0.00190 0.00024 164 2S -0.00005 0.00032 0.00028 -0.00040 0.00109 165 2PX 0.00005 -0.00005 -0.00007 -0.00015 -0.00002 166 2PY -0.00009 -0.00004 0.00014 0.00006 0.00012 167 2PZ 0.00001 0.00005 0.00002 -0.00011 0.00005 168 3S 0.00236 -0.00331 -0.00895 0.00722 -0.00815 169 3PX 0.00020 -0.00083 -0.00217 0.00250 0.00168 170 3PY -0.00104 0.00150 0.00273 -0.00140 0.00244 171 3PZ 0.00066 -0.00162 -0.00286 0.00281 -0.00210 172 4XX 0.00001 0.00004 0.00012 -0.00028 0.00005 173 4YY 0.00004 0.00000 0.00012 -0.00026 0.00025 174 4ZZ 0.00001 0.00008 0.00011 -0.00028 0.00017 175 4XY 0.00003 0.00000 0.00010 -0.00018 -0.00002 176 4XZ -0.00001 -0.00004 0.00002 -0.00002 0.00012 177 4YZ -0.00002 -0.00001 0.00006 -0.00010 0.00005 178 18 H 1S -0.00005 0.00000 0.00008 0.00003 -0.00025 179 2S -0.00064 0.00009 0.00110 0.00008 0.00009 180 19 H 1S -0.00009 0.00001 0.00015 -0.00002 0.00003 181 2S -0.00081 0.00005 0.00158 0.00015 0.00006 182 20 H 1S 0.00002 -0.00009 -0.00012 0.00009 -0.00002 183 2S 0.00017 -0.00079 -0.00104 0.00120 -0.00006 184 21 H 1S 0.00000 -0.00005 -0.00004 0.00007 0.00024 185 2S 0.00018 -0.00062 -0.00075 0.00081 -0.00010 186 22 O 1S -0.07130 0.99009 -0.00008 0.00001 -0.00007 187 2S -0.00167 0.02516 -0.00072 0.00088 -0.00033 188 2PX 0.00001 -0.00015 -0.00001 0.00003 0.00001 189 2PY 0.00008 -0.00110 -0.00003 0.00005 0.00003 190 2PZ -0.00001 0.00010 0.00002 -0.00002 0.00000 191 3S -0.00221 0.01679 0.00517 -0.00620 0.00219 192 3PX 0.00007 -0.00031 -0.00018 0.00020 -0.00011 193 3PY 0.00040 -0.00232 -0.00159 0.00250 -0.00055 194 3PZ -0.00001 0.00023 0.00007 -0.00020 0.00004 195 4XX 0.00070 -0.00839 -0.00049 0.00063 -0.00019 196 4YY 0.00062 -0.00780 -0.00012 -0.00006 -0.00018 197 4ZZ 0.00070 -0.00839 -0.00049 0.00063 -0.00022 198 4XY -0.00001 0.00010 0.00005 -0.00008 0.00003 199 4XZ 0.00001 -0.00002 0.00002 -0.00006 -0.00001 200 4YZ 0.00000 -0.00007 -0.00003 0.00008 0.00000 201 23 O 1S 0.99008 0.07136 0.00006 -0.00005 0.00010 202 2S 0.02514 0.00195 0.00113 0.00014 0.00044 203 2PX -0.00015 -0.00001 0.00003 0.00001 -0.00001 204 2PY 0.00110 0.00008 -0.00006 -0.00001 0.00004 205 2PZ 0.00010 0.00001 -0.00002 0.00000 -0.00001 206 3S 0.01693 0.00022 -0.00802 -0.00095 -0.00279 207 3PX -0.00032 0.00002 0.00026 0.00002 0.00014 208 3PY 0.00235 -0.00006 -0.00287 -0.00072 -0.00072 209 3PZ 0.00022 0.00002 -0.00019 -0.00009 -0.00005 210 4XX -0.00840 -0.00051 0.00079 0.00012 0.00025 211 4YY -0.00781 -0.00050 0.00005 -0.00013 0.00023 212 4ZZ -0.00841 -0.00051 0.00079 0.00012 0.00029 213 4XY -0.00010 0.00000 0.00009 0.00003 0.00003 214 4XZ -0.00002 0.00001 -0.00005 -0.00003 0.00001 215 4YZ 0.00007 0.00001 -0.00008 -0.00004 -0.00001 6 7 8 9 10 O O O O O Eigenvalues -- -10.22601 -10.21468 -10.21387 -10.21359 -10.20936 1 1 C 1S 0.01385 -0.00008 0.00000 0.99296 0.00059 2 2S 0.00047 -0.00007 0.00000 0.05055 -0.00011 3 2PX 0.00010 0.00003 0.00000 0.00020 -0.00025 4 2PY 0.00004 0.00000 -0.00004 0.00000 0.00000 5 2PZ -0.00004 0.00001 0.00000 0.00027 -0.00002 6 3S 0.00746 0.00089 0.00000 -0.02046 -0.00134 7 3PX 0.00159 0.00033 0.00000 -0.00177 0.00036 8 3PY 0.00042 0.00000 0.00001 0.00000 0.00001 9 3PZ 0.00203 0.00031 0.00000 -0.00188 -0.00105 10 4XX -0.00019 0.00003 0.00000 -0.00888 -0.00003 11 4YY -0.00057 -0.00001 0.00000 -0.00901 -0.00005 12 4ZZ -0.00032 -0.00001 0.00000 -0.00879 -0.00011 13 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 14 4XZ -0.00013 0.00003 0.00000 -0.00008 -0.00010 15 4YZ -0.00002 0.00000 0.00001 0.00000 0.00000 16 2 H 1S -0.00036 -0.00003 0.00000 0.00008 0.00008 17 2S 0.00016 0.00002 0.00000 0.00258 0.00070 18 3 H 1S -0.00019 -0.00001 0.00000 0.00005 -0.00001 19 2S 0.00011 0.00001 0.00000 0.00242 -0.00053 20 4 C 1S 0.79488 -0.00008 0.00005 -0.01006 -0.00002 21 2S 0.04017 0.00015 -0.00007 -0.00057 -0.00065 22 2PX 0.00023 0.00004 -0.00003 0.00005 -0.00007 23 2PY -0.00044 -0.00002 0.00000 -0.00001 0.00015 24 2PZ 0.00002 0.00000 0.00005 0.00002 -0.00004 25 3S -0.01716 -0.00124 0.00063 0.00468 0.00304 26 3PX -0.00082 -0.00026 0.00029 -0.00126 0.00097 27 3PY 0.00367 0.00055 -0.00016 -0.00151 -0.00100 28 3PZ -0.00095 -0.00013 -0.00003 -0.00147 -0.00012 29 4XX -0.00718 0.00004 -0.00003 -0.00007 -0.00003 30 4YY -0.00676 0.00006 -0.00004 -0.00014 -0.00029 31 4ZZ -0.00702 0.00007 -0.00006 -0.00006 -0.00017 32 4XY -0.00008 0.00000 0.00000 -0.00010 -0.00002 33 4XZ 0.00009 -0.00003 0.00002 -0.00007 -0.00009 34 4YZ -0.00011 0.00000 -0.00001 -0.00009 0.00003 35 5 H 1S -0.00030 0.00000 -0.00001 -0.00016 -0.00005 36 2S 0.00114 -0.00009 -0.00004 -0.00020 0.00014 37 6 C 1S 0.01116 -0.00053 0.00044 -0.00086 -0.00301 38 2S 0.00011 -0.00016 0.00021 -0.00032 -0.00025 39 2PX 0.00007 -0.00015 0.00011 0.00003 -0.00003 40 2PY -0.00001 0.00007 0.00002 0.00001 0.00006 41 2PZ 0.00006 0.00000 0.00000 0.00005 0.00019 42 3S 0.00567 0.00084 -0.00177 0.00046 -0.00055 43 3PX -0.00060 0.00024 -0.00048 -0.00021 0.00001 44 3PY -0.00001 -0.00009 0.00064 -0.00002 -0.00021 45 3PZ -0.00275 -0.00036 0.00023 -0.00047 0.00015 46 4XX -0.00024 -0.00013 0.00012 -0.00004 -0.00007 47 4YY -0.00017 -0.00006 0.00004 0.00001 -0.00008 48 4ZZ -0.00027 -0.00007 0.00007 0.00006 -0.00012 49 4XY 0.00003 0.00002 0.00003 0.00006 -0.00005 50 4XZ -0.00009 -0.00001 0.00000 0.00011 -0.00001 51 4YZ 0.00017 0.00002 -0.00003 0.00001 -0.00007 52 7 H 1S -0.00010 -0.00008 0.00012 -0.00002 0.00009 53 2S 0.00045 0.00010 -0.00006 0.00031 0.00000 54 8 C 1S 0.59499 -0.00008 -0.00005 -0.01006 -0.00003 55 2S 0.02981 0.00015 0.00007 -0.00057 -0.00068 56 2PX 0.00017 0.00004 0.00003 0.00005 -0.00007 57 2PY 0.00029 0.00002 0.00000 0.00001 -0.00015 58 2PZ 0.00006 0.00000 -0.00005 0.00002 -0.00004 59 3S -0.01160 -0.00124 -0.00063 0.00468 0.00319 60 3PX -0.00030 -0.00026 -0.00029 -0.00126 0.00102 61 3PY -0.00195 -0.00055 -0.00016 0.00151 0.00106 62 3PZ -0.00053 -0.00013 0.00003 -0.00147 -0.00011 63 4XX -0.00544 0.00004 0.00003 -0.00007 -0.00004 64 4YY -0.00504 0.00006 0.00004 -0.00014 -0.00030 65 4ZZ -0.00531 0.00007 0.00006 -0.00006 -0.00017 66 4XY 0.00010 0.00000 0.00000 0.00010 0.00003 67 4XZ 0.00007 -0.00003 -0.00002 -0.00007 -0.00010 68 4YZ 0.00009 0.00000 -0.00001 0.00009 -0.00003 69 9 H 1S -0.00023 0.00000 0.00001 -0.00016 -0.00005 70 2S 0.00115 -0.00009 0.00004 -0.00020 0.00015 71 10 C 1S 0.00842 -0.00053 -0.00044 -0.00086 -0.00304 72 2S 0.00007 -0.00016 -0.00021 -0.00032 -0.00026 73 2PX 0.00004 -0.00015 -0.00011 0.00003 -0.00003 74 2PY -0.00001 -0.00007 0.00002 -0.00001 -0.00006 75 2PZ 0.00004 0.00000 0.00000 0.00005 0.00020 76 3S 0.00289 0.00084 0.00177 0.00046 -0.00058 77 3PX -0.00027 0.00024 0.00048 -0.00021 0.00001 78 3PY -0.00039 0.00009 0.00064 0.00002 0.00022 79 3PZ -0.00142 -0.00036 -0.00023 -0.00047 0.00017 80 4XX -0.00018 -0.00013 -0.00012 -0.00004 -0.00007 81 4YY -0.00010 -0.00006 -0.00004 0.00001 -0.00008 82 4ZZ -0.00018 -0.00006 -0.00007 0.00006 -0.00012 83 4XY -0.00002 -0.00002 0.00003 -0.00006 0.00005 84 4XZ -0.00006 -0.00001 0.00000 0.00011 -0.00001 85 4YZ -0.00015 -0.00002 -0.00003 -0.00001 0.00007 86 11 H 1S -0.00010 -0.00008 -0.00012 -0.00002 0.00009 87 2S 0.00021 0.00010 0.00006 0.00031 -0.00001 88 12 C 1S -0.00020 -0.00061 -0.00004 -0.00047 0.71099 89 2S -0.00057 -0.00022 0.00004 -0.00014 0.03594 90 2PX -0.00005 -0.00003 -0.00002 0.00011 -0.00017 91 2PY -0.00013 0.00000 0.00004 -0.00005 -0.00003 92 2PZ -0.00007 -0.00005 -0.00001 0.00003 0.00029 93 3S 0.00169 0.00045 -0.00240 -0.00026 -0.01152 94 3PX -0.00017 -0.00006 -0.00074 -0.00070 -0.00027 95 3PY -0.00044 -0.00022 -0.00166 0.00055 0.00111 96 3PZ 0.00088 0.00019 -0.00061 -0.00040 -0.00163 97 4XX -0.00006 -0.00002 0.00003 0.00002 -0.00653 98 4YY -0.00019 0.00000 0.00000 -0.00005 -0.00651 99 4ZZ -0.00017 -0.00002 0.00006 -0.00012 -0.00639 100 4XY 0.00005 -0.00001 -0.00002 0.00000 -0.00005 101 4XZ -0.00014 0.00003 -0.00001 -0.00002 0.00009 102 4YZ -0.00007 -0.00002 0.00001 0.00007 0.00008 103 13 C 1S 0.00001 -0.00174 -0.00175 -0.00001 -0.00175 104 2S 0.00002 -0.00032 -0.00037 -0.00007 -0.00045 105 2PX 0.00005 -0.00014 -0.00010 -0.00001 0.00009 106 2PY -0.00003 -0.00009 -0.00007 0.00002 -0.00005 107 2PZ 0.00001 -0.00011 -0.00007 0.00002 0.00015 108 3S 0.00026 0.00249 0.00631 0.00090 0.00298 109 3PX 0.00052 0.00093 0.00156 -0.00039 -0.00206 110 3PY -0.00116 0.00104 0.00279 -0.00022 0.00259 111 3PZ 0.00022 0.00089 0.00179 -0.00060 -0.00137 112 4XX -0.00002 -0.00019 -0.00019 0.00000 -0.00018 113 4YY 0.00003 -0.00013 -0.00014 0.00004 -0.00023 114 4ZZ 0.00000 -0.00021 -0.00025 -0.00001 -0.00024 115 4XY 0.00001 -0.00004 -0.00009 -0.00004 0.00007 116 4XZ -0.00001 -0.00012 -0.00013 0.00002 -0.00010 117 4YZ -0.00002 -0.00006 -0.00006 -0.00001 0.00009 118 14 C 1S 0.00013 0.70140 0.70264 0.00004 0.00054 119 2S 0.00008 0.03474 0.03587 -0.00004 -0.00013 120 2PX -0.00008 -0.00012 -0.00017 0.00000 0.00010 121 2PY 0.00000 -0.00015 0.00042 -0.00001 0.00001 122 2PZ -0.00002 -0.00009 -0.00017 0.00000 0.00007 123 3S -0.00048 -0.00724 -0.01899 0.00033 0.00045 124 3PX 0.00010 0.00058 0.00291 -0.00012 -0.00002 125 3PY 0.00023 0.00078 -0.00329 -0.00007 -0.00064 126 3PZ 0.00001 0.00068 0.00341 -0.00011 -0.00004 127 4XX 0.00004 -0.00683 -0.00652 0.00000 -0.00005 128 4YY 0.00002 -0.00669 -0.00617 0.00000 0.00002 129 4ZZ 0.00008 -0.00683 -0.00654 -0.00001 -0.00007 130 4XY -0.00001 -0.00003 0.00001 0.00000 0.00001 131 4XZ -0.00001 0.00005 0.00007 0.00002 0.00004 132 4YZ -0.00003 -0.00003 0.00001 0.00000 0.00006 133 15 C 1S 0.00016 0.70224 -0.70180 0.00004 0.00054 134 2S 0.00010 0.03478 -0.03583 -0.00004 -0.00014 135 2PX -0.00010 -0.00012 0.00017 0.00000 0.00010 136 2PY 0.00001 0.00015 0.00042 0.00001 -0.00001 137 2PZ -0.00004 -0.00009 0.00017 0.00000 0.00007 138 3S -0.00021 -0.00727 0.01898 0.00033 0.00060 139 3PX 0.00008 0.00059 -0.00290 -0.00012 -0.00005 140 3PY -0.00042 -0.00078 -0.00329 0.00007 0.00055 141 3PZ -0.00002 0.00068 -0.00341 -0.00011 -0.00007 142 4XX 0.00005 -0.00684 0.00652 0.00000 -0.00005 143 4YY 0.00003 -0.00670 0.00616 0.00000 0.00002 144 4ZZ 0.00009 -0.00684 0.00653 -0.00001 -0.00007 145 4XY 0.00001 0.00003 0.00001 0.00000 -0.00001 146 4XZ -0.00001 0.00005 -0.00007 0.00002 0.00004 147 4YZ 0.00003 0.00003 0.00001 0.00000 -0.00005 148 16 C 1S 0.00001 -0.00174 0.00175 -0.00001 -0.00170 149 2S 0.00001 -0.00032 0.00037 -0.00007 -0.00044 150 2PX 0.00012 -0.00014 0.00010 -0.00001 0.00009 151 2PY 0.00005 0.00009 -0.00007 -0.00002 0.00005 152 2PZ 0.00003 -0.00011 0.00007 0.00002 0.00014 153 3S 0.00036 0.00250 -0.00630 0.00090 0.00277 154 3PX 0.00061 0.00093 -0.00156 -0.00039 -0.00198 155 3PY 0.00179 -0.00104 0.00279 0.00022 -0.00244 156 3PZ 0.00013 0.00089 -0.00179 -0.00060 -0.00133 157 4XX -0.00006 -0.00019 0.00019 0.00000 -0.00018 158 4YY 0.00002 -0.00013 0.00014 0.00004 -0.00022 159 4ZZ -0.00001 -0.00022 0.00025 -0.00001 -0.00023 160 4XY -0.00002 0.00004 -0.00009 0.00004 -0.00007 161 4XZ -0.00001 -0.00012 0.00013 0.00002 -0.00010 162 4YZ 0.00003 0.00006 -0.00006 0.00001 -0.00008 163 17 C 1S -0.00028 -0.00060 0.00004 -0.00047 0.69307 164 2S -0.00092 -0.00022 -0.00004 -0.00014 0.03500 165 2PX -0.00005 -0.00003 0.00002 0.00011 -0.00017 166 2PY 0.00010 0.00000 0.00004 0.00005 0.00003 167 2PZ -0.00009 -0.00005 0.00001 0.00003 0.00028 168 3S 0.00416 0.00045 0.00240 -0.00026 -0.01079 169 3PX -0.00067 -0.00006 0.00074 -0.00070 -0.00021 170 3PY -0.00026 0.00022 -0.00166 -0.00055 -0.00125 171 3PZ 0.00153 0.00019 0.00061 -0.00040 -0.00148 172 4XX -0.00008 -0.00002 -0.00003 0.00002 -0.00638 173 4YY -0.00027 0.00000 0.00000 -0.00005 -0.00636 174 4ZZ -0.00023 -0.00002 -0.00006 -0.00012 -0.00624 175 4XY -0.00004 0.00001 -0.00002 0.00000 0.00005 176 4XZ -0.00018 0.00003 0.00001 -0.00002 0.00009 177 4YZ 0.00005 0.00002 0.00001 -0.00007 -0.00008 178 18 H 1S -0.00001 -0.00002 -0.00007 0.00000 -0.00013 179 2S -0.00006 0.00004 -0.00027 -0.00038 0.00170 180 19 H 1S 0.00003 -0.00028 -0.00032 -0.00001 -0.00007 181 2S 0.00001 0.00128 0.00030 0.00004 0.00002 182 20 H 1S 0.00004 -0.00028 0.00032 -0.00001 -0.00006 183 2S 0.00002 0.00128 -0.00030 0.00004 0.00004 184 21 H 1S -0.00008 -0.00002 0.00007 0.00000 -0.00013 185 2S -0.00003 0.00004 0.00027 -0.00038 0.00169 186 22 O 1S 0.00009 -0.00002 0.00000 0.00001 -0.00009 187 2S 0.00041 -0.00010 0.00002 0.00006 -0.00044 188 2PX -0.00001 0.00001 -0.00002 0.00001 0.00000 189 2PY -0.00004 0.00000 0.00002 0.00000 0.00003 190 2PZ -0.00001 -0.00001 -0.00003 -0.00001 0.00000 191 3S -0.00246 0.00038 -0.00012 -0.00046 0.00234 192 3PX 0.00009 -0.00013 0.00030 0.00003 0.00008 193 3PY 0.00068 -0.00008 -0.00018 0.00017 -0.00068 194 3PZ -0.00006 -0.00002 0.00028 0.00009 0.00024 195 4XX 0.00026 -0.00005 -0.00004 0.00003 -0.00028 196 4YY 0.00020 -0.00001 0.00000 0.00000 -0.00014 197 4ZZ 0.00028 -0.00004 -0.00001 0.00003 -0.00030 198 4XY -0.00002 0.00001 -0.00005 0.00000 0.00002 199 4XZ -0.00001 0.00004 -0.00004 0.00001 0.00005 200 4YZ 0.00001 -0.00003 -0.00002 -0.00001 -0.00004 201 23 O 1S 0.00007 -0.00002 0.00000 0.00001 -0.00010 202 2S 0.00030 -0.00010 -0.00002 0.00006 -0.00045 203 2PX 0.00000 0.00001 0.00002 0.00001 0.00000 204 2PY 0.00003 0.00000 0.00002 0.00000 -0.00003 205 2PZ -0.00001 -0.00001 0.00003 -0.00001 0.00000 206 3S -0.00174 0.00038 0.00012 -0.00046 0.00241 207 3PX 0.00005 -0.00013 -0.00030 0.00003 0.00009 208 3PY -0.00050 0.00008 -0.00018 -0.00017 0.00069 209 3PZ -0.00005 -0.00001 -0.00028 0.00009 0.00025 210 4XX 0.00020 -0.00005 0.00004 0.00003 -0.00029 211 4YY 0.00014 -0.00001 0.00000 0.00000 -0.00014 212 4ZZ 0.00021 -0.00004 0.00001 0.00003 -0.00030 213 4XY 0.00002 -0.00001 -0.00005 0.00000 -0.00002 214 4XZ -0.00001 0.00004 0.00004 0.00001 0.00005 215 4YZ -0.00001 0.00003 -0.00002 0.00001 0.00005 11 12 13 14 15 O O O O O Eigenvalues -- -10.20886 -10.20768 -10.20714 -1.03153 -1.02944 1 1 C 1S 0.00001 0.00094 0.00000 -0.00169 -0.00001 2 2S 0.00000 -0.00021 0.00000 0.00212 0.00001 3 2PX 0.00000 0.00005 0.00000 0.00116 0.00000 4 2PY -0.00026 0.00000 -0.00015 0.00000 0.00014 5 2PZ 0.00000 -0.00006 0.00000 0.00042 0.00000 6 3S -0.00002 0.00034 0.00000 0.00369 0.00001 7 3PX 0.00000 -0.00006 0.00000 -0.00115 0.00000 8 3PY -0.00053 0.00000 -0.00035 -0.00001 0.00248 9 3PZ -0.00001 0.00081 0.00000 -0.00014 0.00000 10 4XX 0.00000 0.00000 0.00000 -0.00027 0.00000 11 4YY 0.00000 -0.00002 0.00000 0.00003 0.00000 12 4ZZ 0.00000 0.00009 0.00000 -0.00027 0.00000 13 4XY -0.00004 0.00000 0.00001 0.00000 0.00010 14 4XZ 0.00000 0.00008 0.00000 0.00004 0.00000 15 4YZ -0.00001 0.00000 0.00000 0.00000 0.00011 16 2 H 1S 0.00000 -0.00015 0.00000 0.00023 0.00000 17 2S 0.00001 -0.00005 0.00000 -0.00071 0.00000 18 3 H 1S 0.00000 0.00003 0.00000 0.00076 0.00000 19 2S -0.00001 0.00049 0.00000 -0.00092 0.00000 20 4 C 1S -0.00017 -0.01007 -0.00989 -0.00275 -0.00154 21 2S -0.00122 -0.00064 -0.00065 0.00374 0.00104 22 2PX 0.00006 0.00003 0.00005 0.00130 0.00104 23 2PY 0.00015 0.00005 0.00011 -0.00058 0.00026 24 2PZ -0.00008 -0.00018 -0.00006 -0.00009 0.00003 25 3S 0.00568 0.00233 0.00555 0.00760 0.01197 26 3PX 0.00175 0.00022 0.00021 0.00362 0.00542 27 3PY -0.00241 -0.00026 -0.00176 -0.00341 -0.00427 28 3PZ 0.00025 0.00108 0.00169 0.00370 0.00503 29 4XX -0.00006 0.00006 0.00004 -0.00016 -0.00003 30 4YY -0.00024 0.00008 -0.00008 -0.00022 -0.00029 31 4ZZ -0.00022 -0.00008 -0.00022 -0.00026 -0.00022 32 4XY -0.00015 -0.00003 0.00004 -0.00010 -0.00016 33 4XZ -0.00013 -0.00003 -0.00005 0.00012 -0.00004 34 4YZ 0.00003 0.00003 0.00008 -0.00014 -0.00019 35 5 H 1S -0.00006 -0.00005 0.00000 0.00101 0.00056 36 2S 0.00048 0.00002 0.00020 0.00327 0.00291 37 6 C 1S -0.00124 0.69885 0.70512 -0.00172 -0.00022 38 2S -0.00025 0.03475 0.03584 0.00431 0.00297 39 2PX 0.00002 0.00011 0.00008 0.00066 0.00045 40 2PY 0.00000 0.00008 -0.00031 -0.00081 0.00064 41 2PZ 0.00017 -0.00028 -0.00035 -0.00144 -0.00059 42 3S -0.00130 -0.00726 -0.01846 -0.00454 -0.02043 43 3PX 0.00009 0.00006 0.00048 0.00011 0.00001 44 3PY -0.00044 -0.00035 0.00415 0.00002 0.00556 45 3PZ 0.00087 0.00124 0.00366 0.00290 0.00772 46 4XX -0.00007 -0.00670 -0.00649 0.00021 0.00054 47 4YY -0.00006 -0.00673 -0.00614 0.00017 -0.00007 48 4ZZ -0.00008 -0.00657 -0.00632 0.00009 0.00021 49 4XY -0.00007 0.00002 0.00007 -0.00005 0.00008 50 4XZ 0.00000 0.00007 0.00011 0.00001 0.00003 51 4YZ 0.00001 0.00007 0.00000 0.00007 -0.00005 52 7 H 1S 0.00004 -0.00035 -0.00030 0.00060 0.00027 53 2S -0.00005 0.00111 0.00040 0.00026 -0.00067 54 8 C 1S 0.00017 -0.01015 0.00980 -0.00276 0.00152 55 2S 0.00121 -0.00065 0.00064 0.00375 -0.00101 56 2PX -0.00006 0.00003 -0.00005 0.00131 -0.00103 57 2PY 0.00014 -0.00005 0.00011 0.00058 0.00026 58 2PZ 0.00008 -0.00018 0.00005 -0.00009 -0.00003 59 3S -0.00560 0.00237 -0.00553 0.00769 -0.01191 60 3PX -0.00173 0.00022 -0.00021 0.00366 -0.00539 61 3PY -0.00238 0.00027 -0.00175 0.00344 -0.00425 62 3PZ -0.00025 0.00110 -0.00168 0.00374 -0.00500 63 4XX 0.00006 0.00006 -0.00004 -0.00016 0.00003 64 4YY 0.00024 0.00008 0.00008 -0.00022 0.00029 65 4ZZ 0.00021 -0.00008 0.00022 -0.00026 0.00022 66 4XY -0.00015 0.00003 0.00004 0.00010 -0.00016 67 4XZ 0.00012 -0.00003 0.00005 0.00012 0.00004 68 4YZ 0.00003 -0.00003 0.00008 0.00014 -0.00019 69 9 H 1S 0.00006 -0.00005 0.00000 0.00101 -0.00056 70 2S -0.00047 0.00002 -0.00020 0.00329 -0.00288 71 10 C 1S 0.00114 0.70480 -0.69916 -0.00172 0.00021 72 2S 0.00024 0.03505 -0.03555 0.00433 -0.00294 73 2PX -0.00002 0.00011 -0.00008 0.00066 -0.00044 74 2PY -0.00001 -0.00008 -0.00031 0.00081 0.00064 75 2PZ -0.00017 -0.00028 0.00034 -0.00145 0.00057 76 3S 0.00129 -0.00741 0.01839 -0.00470 0.02039 77 3PX -0.00009 0.00006 -0.00048 0.00011 -0.00001 78 3PY -0.00043 0.00032 0.00416 -0.00007 0.00556 79 3PZ -0.00087 0.00127 -0.00365 0.00296 -0.00770 80 4XX 0.00007 -0.00675 0.00644 0.00021 -0.00053 81 4YY 0.00006 -0.00678 0.00609 0.00017 0.00007 82 4ZZ 0.00008 -0.00662 0.00626 0.00010 -0.00021 83 4XY -0.00006 -0.00002 0.00007 0.00005 0.00008 84 4XZ 0.00000 0.00007 -0.00011 0.00001 -0.00003 85 4YZ 0.00002 -0.00007 0.00000 -0.00007 -0.00005 86 11 H 1S -0.00003 -0.00035 0.00029 0.00061 -0.00027 87 2S 0.00005 0.00111 -0.00039 0.00025 0.00067 88 12 C 1S -0.69348 0.00291 -0.00109 -0.01829 0.01159 89 2S -0.03638 -0.00002 0.00007 0.03647 -0.02280 90 2PX 0.00015 0.00004 0.00002 0.01425 -0.01058 91 2PY -0.00025 -0.00009 -0.00002 -0.00866 0.01818 92 2PZ -0.00040 -0.00018 0.00015 0.01054 -0.00775 93 3S 0.02837 0.00037 -0.00058 0.00847 0.03314 94 3PX 0.00239 0.00010 -0.00035 -0.00587 0.00251 95 3PY 0.00524 0.00037 -0.00064 -0.01099 0.02758 96 3PZ 0.00577 0.00060 -0.00074 -0.00902 0.01116 97 4XX 0.00609 -0.00016 0.00010 0.00082 -0.00117 98 4YY 0.00567 -0.00014 0.00008 0.00246 -0.00133 99 4ZZ 0.00590 -0.00016 0.00009 0.00038 -0.00039 100 4XY -0.00001 -0.00002 0.00004 -0.00297 0.00322 101 4XZ -0.00001 -0.00002 -0.00001 0.00215 -0.00216 102 4YZ 0.00005 -0.00003 -0.00003 -0.00172 0.00227 103 13 C 1S 0.00173 0.00001 0.00001 -0.08744 0.08493 104 2S 0.00063 -0.00005 0.00022 0.16876 -0.16158 105 2PX 0.00005 0.00010 -0.00013 0.01649 -0.01678 106 2PY 0.00003 -0.00007 0.00012 -0.11687 0.12402 107 2PZ -0.00007 -0.00008 0.00010 -0.00998 0.01048 108 3S -0.00832 0.00052 -0.00060 0.05909 -0.05456 109 3PX 0.00318 -0.00010 0.00045 -0.00611 0.00739 110 3PY -0.00594 -0.00079 0.00002 0.04363 -0.06068 111 3PZ 0.00167 0.00019 -0.00031 0.00311 -0.00573 112 4XX 0.00014 -0.00007 0.00016 -0.01298 0.01332 113 4YY 0.00015 -0.00010 0.00022 0.01445 -0.01294 114 4ZZ 0.00025 -0.00005 0.00015 -0.01327 0.01371 115 4XY -0.00002 0.00002 -0.00002 -0.00430 0.00422 116 4XZ 0.00009 0.00002 -0.00005 0.00040 -0.00017 117 4YZ -0.00012 -0.00002 0.00002 0.00295 -0.00282 118 14 C 1S -0.00009 0.00046 -0.00035 -0.01945 0.01199 119 2S -0.00017 -0.00004 0.00012 0.03844 -0.02265 120 2PX -0.00004 0.00012 -0.00011 -0.01063 0.00756 121 2PY -0.00005 -0.00004 -0.00001 -0.00873 0.01934 122 2PZ -0.00007 -0.00003 -0.00003 -0.01472 0.01071 123 3S 0.00554 0.00021 -0.00114 0.01411 0.03284 124 3PX -0.00149 -0.00025 0.00032 0.00775 -0.00912 125 3PY 0.00340 0.00024 -0.00063 -0.01333 0.02913 126 3PZ -0.00130 -0.00008 0.00025 0.00728 -0.00606 127 4XX -0.00003 -0.00011 0.00012 -0.00023 0.00010 128 4YY 0.00001 -0.00008 0.00006 0.00247 -0.00157 129 4ZZ -0.00002 -0.00009 0.00009 0.00099 -0.00126 130 4XY 0.00003 0.00001 0.00003 0.00184 -0.00235 131 4XZ 0.00002 -0.00001 -0.00001 0.00228 -0.00221 132 4YZ -0.00003 0.00002 -0.00004 0.00268 -0.00319 133 15 C 1S 0.00010 0.00045 0.00035 -0.01936 -0.01214 134 2S 0.00016 -0.00004 -0.00012 0.03827 0.02295 135 2PX 0.00004 0.00012 0.00011 -0.01057 -0.00764 136 2PY -0.00005 0.00004 -0.00001 0.00858 0.01941 137 2PZ 0.00007 -0.00003 0.00003 -0.01463 -0.01083 138 3S -0.00553 0.00020 0.00114 0.01435 -0.03273 139 3PX 0.00149 -0.00024 -0.00032 0.00768 0.00917 140 3PY 0.00342 -0.00024 -0.00063 0.01311 0.02924 141 3PZ 0.00130 -0.00008 -0.00026 0.00723 0.00612 142 4XX 0.00002 -0.00010 -0.00012 -0.00023 -0.00010 143 4YY -0.00001 -0.00007 -0.00006 0.00246 0.00158 144 4ZZ 0.00002 -0.00009 -0.00009 0.00098 0.00127 145 4XY 0.00003 -0.00001 0.00003 -0.00183 -0.00236 146 4XZ -0.00002 -0.00001 0.00001 0.00226 0.00222 147 4YZ -0.00003 -0.00002 -0.00004 -0.00265 -0.00321 148 16 C 1S -0.00177 0.00001 -0.00001 -0.08679 -0.08560 149 2S -0.00064 -0.00004 -0.00022 0.16751 0.16287 150 2PX -0.00005 0.00010 0.00013 0.01635 0.01689 151 2PY 0.00003 0.00006 0.00012 0.11592 0.12490 152 2PZ 0.00007 -0.00008 -0.00010 -0.00989 -0.01056 153 3S 0.00840 0.00052 0.00060 0.05868 0.05501 154 3PX -0.00323 -0.00010 -0.00045 -0.00605 -0.00743 155 3PY -0.00600 0.00079 0.00002 -0.04317 -0.06101 156 3PZ -0.00170 0.00018 0.00031 0.00307 0.00575 157 4XX -0.00015 -0.00007 -0.00016 -0.01288 -0.01342 158 4YY -0.00016 -0.00010 -0.00022 0.01435 0.01305 159 4ZZ -0.00025 -0.00005 -0.00015 -0.01317 -0.01381 160 4XY -0.00002 -0.00002 -0.00002 0.00426 0.00424 161 4XZ -0.00010 0.00002 0.00005 0.00040 0.00017 162 4YZ -0.00012 0.00002 0.00002 -0.00292 -0.00284 163 17 C 1S 0.71139 0.00293 0.00112 -0.01820 -0.01173 164 2S 0.03728 -0.00002 -0.00007 0.03630 0.02309 165 2PX -0.00016 0.00004 -0.00002 0.01417 0.01069 166 2PY -0.00025 0.00009 -0.00002 0.00852 0.01825 167 2PZ 0.00041 -0.00018 -0.00016 0.01048 0.00784 168 3S -0.02865 0.00036 0.00058 0.00871 -0.03307 169 3PX -0.00239 0.00009 0.00035 -0.00585 -0.00256 170 3PY 0.00521 -0.00036 -0.00064 0.01078 0.02766 171 3PZ -0.00582 0.00059 0.00075 -0.00894 -0.01123 172 4XX -0.00625 -0.00016 -0.00010 0.00081 0.00117 173 4YY -0.00583 -0.00014 -0.00008 0.00245 0.00135 174 4ZZ -0.00606 -0.00016 -0.00010 0.00038 0.00039 175 4XY -0.00001 0.00002 0.00004 0.00295 0.00324 176 4XZ 0.00001 -0.00002 0.00001 0.00213 0.00218 177 4YZ 0.00005 0.00003 -0.00003 0.00171 0.00228 178 18 H 1S 0.00001 0.00006 -0.00006 0.00626 -0.00523 179 2S -0.00036 0.00033 -0.00053 -0.00448 0.00319 180 19 H 1S 0.00013 0.00005 -0.00003 0.00629 -0.00516 181 2S 0.00072 0.00005 -0.00016 -0.00648 0.00379 182 20 H 1S -0.00014 0.00005 0.00003 0.00625 0.00521 183 2S -0.00072 0.00005 0.00016 -0.00645 -0.00384 184 21 H 1S -0.00001 0.00006 0.00006 0.00622 0.00528 185 2S 0.00040 0.00032 0.00053 -0.00446 -0.00323 186 22 O 1S -0.00008 0.00005 0.00001 -0.13421 -0.13801 187 2S -0.00040 0.00020 0.00006 0.28825 0.29344 188 2PX -0.00003 -0.00003 -0.00004 -0.01480 -0.01512 189 2PY 0.00002 -0.00003 -0.00004 -0.10987 -0.11210 190 2PZ -0.00002 0.00002 0.00003 0.01022 0.01045 191 3S 0.00277 -0.00118 -0.00027 0.29430 0.31806 192 3PX 0.00036 0.00016 0.00020 -0.00610 -0.00709 193 3PY -0.00044 0.00030 0.00004 -0.04413 -0.04935 194 3PZ 0.00041 -0.00014 -0.00014 0.00434 0.00467 195 4XX -0.00022 0.00013 0.00003 -0.00707 -0.00835 196 4YY -0.00020 0.00013 0.00009 0.00617 0.00576 197 4ZZ -0.00022 0.00013 0.00003 -0.00731 -0.00865 198 4XY -0.00004 -0.00003 -0.00003 0.00192 0.00209 199 4XZ 0.00003 0.00001 0.00001 -0.00188 -0.00203 200 4YZ -0.00007 0.00003 0.00003 -0.00125 -0.00131 201 23 O 1S 0.00008 0.00005 -0.00001 -0.13527 0.13698 202 2S 0.00039 0.00020 -0.00006 0.29049 -0.29123 203 2PX 0.00003 -0.00003 0.00004 -0.01493 0.01502 204 2PY 0.00001 0.00003 -0.00004 0.11073 -0.11126 205 2PZ 0.00002 0.00002 -0.00003 0.01031 -0.01037 206 3S -0.00271 -0.00118 0.00026 0.29672 -0.31580 207 3PX -0.00035 0.00016 -0.00020 -0.00616 0.00705 208 3PY -0.00043 -0.00030 0.00004 0.04451 -0.04901 209 3PZ -0.00040 -0.00014 0.00014 0.00438 -0.00464 210 4XX 0.00021 0.00013 -0.00003 -0.00713 0.00830 211 4YY 0.00020 0.00013 -0.00009 0.00621 -0.00571 212 4ZZ 0.00022 0.00013 -0.00003 -0.00738 0.00859 213 4XY -0.00004 0.00003 -0.00003 -0.00194 0.00208 214 4XZ -0.00003 0.00001 -0.00001 -0.00190 0.00202 215 4YZ -0.00007 -0.00003 0.00003 0.00126 -0.00130 16 17 18 19 20 O O O O O Eigenvalues -- -0.88965 -0.83373 -0.76995 -0.72879 -0.72786 1 1 C 1S -0.09307 0.02435 -0.01227 -0.14469 -0.00012 2 2S 0.17387 -0.04478 0.02501 0.28276 0.00024 3 2PX 0.03930 -0.00312 0.00965 -0.00893 -0.00002 4 2PY 0.00000 0.00000 -0.00001 -0.00009 0.10426 5 2PZ 0.05387 -0.01905 -0.01861 -0.00819 0.00000 6 3S 0.11468 -0.04092 0.01527 0.26816 0.00023 7 3PX -0.00164 0.00077 0.00422 -0.00446 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.00001 0.01784 9 3PZ 0.00919 -0.00610 -0.00671 -0.00594 0.00000 10 4XX -0.00110 0.00081 0.00093 -0.00023 0.00000 11 4YY -0.00157 0.00043 -0.00042 -0.00446 0.00000 12 4ZZ 0.00260 -0.00100 -0.00104 -0.00015 0.00000 13 4XY 0.00000 0.00000 0.00000 -0.00001 0.00766 14 4XZ 0.00500 -0.00147 -0.00138 -0.00226 0.00000 15 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00954 16 2 H 1S 0.04288 -0.01423 0.00322 0.09858 0.00008 17 2S -0.00120 -0.00049 0.00237 0.02375 0.00002 18 3 H 1S 0.03661 -0.00720 0.01701 0.10037 0.00008 19 2S 0.00428 0.00022 0.00761 0.02265 0.00002 20 4 C 1S -0.09520 0.02226 0.00311 -0.02951 -0.12228 21 2S 0.17682 -0.04252 -0.00704 0.05864 0.24020 22 2PX -0.00501 0.01162 0.00577 -0.06343 0.00521 23 2PY -0.06918 0.01822 0.00578 -0.03152 0.01533 24 2PZ 0.03152 -0.01606 -0.03779 -0.10115 0.04994 25 3S 0.13378 -0.02765 0.00091 0.04537 0.22518 26 3PX 0.00296 0.00049 0.00209 -0.01246 0.00092 27 3PY -0.02126 0.00221 -0.00078 0.00097 -0.00117 28 3PZ 0.00345 -0.00202 -0.00714 -0.01814 0.00739 29 4XX -0.00836 0.00302 0.00189 -0.00015 -0.00879 30 4YY 0.00516 -0.00153 0.00002 0.00629 -0.00167 31 4ZZ -0.00092 -0.00021 -0.00183 -0.00673 -0.00024 32 4XY 0.00145 -0.00108 -0.00014 0.00657 -0.00089 33 4XZ 0.00404 -0.00153 -0.00157 0.00139 0.00382 34 4YZ -0.00292 0.00135 0.00304 0.00898 -0.00402 35 5 H 1S 0.03229 -0.00719 0.00284 0.02139 0.08550 36 2S 0.00480 -0.00097 0.00152 0.00346 0.02214 37 6 C 1S -0.09638 0.02924 0.04102 0.10156 -0.07539 38 2S 0.18365 -0.05532 -0.07956 -0.20068 0.15125 39 2PX -0.01582 0.01046 0.00334 -0.02093 -0.01336 40 2PY -0.04704 0.01552 0.02454 0.06270 0.08653 41 2PZ -0.06367 0.01445 0.00101 -0.02747 -0.06506 42 3S 0.10611 -0.03833 -0.06060 -0.16217 0.09807 43 3PX 0.00039 0.00122 0.00036 -0.00782 0.00539 44 3PY -0.00194 0.00146 0.00386 0.00440 0.02851 45 3PZ -0.00041 0.00234 0.00048 -0.01051 0.00907 46 4XX -0.00909 0.00361 0.00364 0.00930 -0.00515 47 4YY 0.00264 -0.00076 -0.00191 -0.00595 -0.00871 48 4ZZ 0.00270 -0.00009 0.00146 0.00503 0.00741 49 4XY 0.00112 -0.00059 -0.00062 -0.00092 -0.00004 50 4XZ 0.00477 -0.00205 -0.00188 -0.00091 0.00481 51 4YZ 0.00284 -0.00082 -0.00128 -0.00291 -0.00342 52 7 H 1S 0.03089 -0.01004 -0.02168 -0.06667 0.05074 53 2S -0.00184 -0.00035 -0.00539 -0.01429 0.00531 54 8 C 1S -0.09520 0.02225 0.00308 -0.02971 0.12223 55 2S 0.17681 -0.04250 -0.00698 0.05903 -0.24011 56 2PX -0.00503 0.01163 0.00578 -0.06343 -0.00531 57 2PY 0.06917 -0.01821 -0.00578 0.03150 0.01539 58 2PZ 0.03152 -0.01606 -0.03779 -0.10106 -0.05012 59 3S 0.13379 -0.02764 0.00097 0.04574 -0.22511 60 3PX 0.00296 0.00049 0.00209 -0.01246 -0.00094 61 3PY 0.02126 -0.00221 0.00078 -0.00097 -0.00117 62 3PZ 0.00345 -0.00202 -0.00714 -0.01813 -0.00742 63 4XX -0.00836 0.00302 0.00189 -0.00016 0.00879 64 4YY 0.00515 -0.00153 0.00002 0.00629 0.00168 65 4ZZ -0.00092 -0.00021 -0.00183 -0.00674 0.00023 66 4XY -0.00145 0.00108 0.00014 -0.00657 -0.00091 67 4XZ 0.00404 -0.00153 -0.00157 0.00140 -0.00382 68 4YZ 0.00293 -0.00135 -0.00304 -0.00897 -0.00404 69 9 H 1S 0.03229 -0.00719 0.00286 0.02153 -0.08547 70 2S 0.00480 -0.00096 0.00153 0.00350 -0.02213 71 10 C 1S -0.09638 0.02923 0.04101 0.10143 0.07556 72 2S 0.18364 -0.05531 -0.07952 -0.20043 -0.15160 73 2PX -0.01583 0.01046 0.00334 -0.02095 0.01331 74 2PY 0.04705 -0.01552 -0.02455 -0.06284 0.08642 75 2PZ -0.06366 0.01445 0.00099 -0.02758 0.06502 76 3S 0.10611 -0.03833 -0.06060 -0.16202 -0.09835 77 3PX 0.00038 0.00122 0.00036 -0.00781 -0.00541 78 3PY 0.00194 -0.00146 -0.00386 -0.00445 0.02851 79 3PZ -0.00042 0.00234 0.00049 -0.01049 -0.00909 80 4XX -0.00909 0.00361 0.00364 0.00929 0.00517 81 4YY 0.00264 -0.00076 -0.00191 -0.00596 0.00870 82 4ZZ 0.00269 -0.00009 0.00146 0.00504 -0.00740 83 4XY -0.00112 0.00059 0.00062 0.00093 -0.00004 84 4XZ 0.00477 -0.00205 -0.00188 -0.00090 -0.00481 85 4YZ -0.00284 0.00082 0.00128 0.00292 -0.00341 86 11 H 1S 0.03089 -0.01004 -0.02167 -0.06659 -0.05086 87 2S -0.00184 -0.00035 -0.00540 -0.01428 -0.00533 88 12 C 1S -0.03587 -0.07982 -0.11492 0.02598 0.03756 89 2S 0.06786 0.15075 0.22175 -0.05121 -0.06885 90 2PX -0.00695 0.03421 0.00455 -0.02021 -0.00251 91 2PY 0.01790 0.04109 0.05965 -0.01222 0.04206 92 2PZ 0.01090 0.02093 -0.01249 -0.00674 -0.01445 93 3S 0.04576 0.10839 0.18606 -0.04680 -0.09690 94 3PX -0.00219 0.00161 -0.00404 -0.00942 -0.00185 95 3PY 0.00151 0.00480 0.00306 0.00134 -0.00057 96 3PZ 0.00139 0.00336 -0.00338 -0.00352 -0.01644 97 4XX -0.00120 -0.00442 -0.00792 0.00308 0.00023 98 4YY 0.00073 0.00173 0.00508 -0.00145 0.00452 99 4ZZ -0.00097 -0.00324 -0.00517 0.00014 -0.00059 100 4XY -0.00017 0.00056 0.00012 -0.00007 0.00016 101 4XZ 0.00059 0.00549 0.00395 -0.00139 -0.00203 102 4YZ 0.00089 0.00126 0.00213 -0.00012 0.00039 103 13 C 1S -0.00832 -0.04856 -0.00655 0.00746 0.02720 104 2S 0.01662 0.09495 0.01404 -0.01597 -0.05789 105 2PX -0.01294 -0.00480 -0.07198 0.02329 0.02682 106 2PY 0.03223 0.12616 0.01112 -0.01299 -0.04930 107 2PZ -0.00099 0.01719 -0.07319 0.01846 0.00407 108 3S 0.00842 0.06469 0.00800 -0.00679 -0.03410 109 3PX -0.00027 -0.00242 -0.00462 0.00114 -0.00267 110 3PY 0.00683 0.03465 -0.00107 0.00030 0.00238 111 3PZ 0.00050 0.00387 -0.00669 -0.00119 -0.00412 112 4XX 0.00170 0.00136 0.00076 -0.00003 -0.00183 113 4YY -0.00167 -0.00552 -0.00074 0.00072 0.00471 114 4ZZ 0.00108 0.00238 -0.00075 0.00024 -0.00107 115 4XY -0.00050 0.00193 -0.00667 0.00173 0.00000 116 4XZ 0.00151 0.00754 0.00079 0.00009 -0.00282 117 4YZ -0.00057 0.00066 -0.00711 0.00172 0.00066 118 14 C 1S -0.01316 -0.10977 0.10154 -0.02533 0.01447 119 2S 0.02472 0.21195 -0.19954 0.05087 -0.02815 120 2PX -0.00641 -0.02389 -0.01119 0.01091 0.01101 121 2PY 0.00822 0.06446 -0.06333 0.01812 0.01717 122 2PZ -0.00494 -0.02839 -0.01005 0.00744 0.01036 123 3S 0.01562 0.14132 -0.15586 0.04096 -0.03702 124 3PX -0.00126 -0.00143 -0.00503 0.00415 0.00446 125 3PY 0.00084 0.00491 0.00037 -0.00082 -0.00856 126 3PZ -0.00016 -0.00149 -0.00517 0.00247 0.00116 127 4XX -0.00028 -0.00628 0.00686 -0.00228 -0.00058 128 4YY 0.00017 0.00375 -0.00560 0.00174 0.00182 129 4ZZ -0.00060 -0.00467 0.00595 -0.00163 -0.00047 130 4XY -0.00024 -0.00123 0.00129 -0.00031 -0.00076 131 4XZ 0.00098 0.00687 -0.00351 0.00073 -0.00208 132 4YZ -0.00027 -0.00142 0.00131 -0.00046 -0.00053 133 15 C 1S -0.01316 -0.10976 0.10154 -0.02531 -0.01450 134 2S 0.02472 0.21195 -0.19954 0.05083 0.02820 135 2PX -0.00641 -0.02388 -0.01120 0.01093 -0.01100 136 2PY -0.00822 -0.06447 0.06333 -0.01815 0.01715 137 2PZ -0.00494 -0.02838 -0.01005 0.00745 -0.01035 138 3S 0.01562 0.14132 -0.15586 0.04090 0.03706 139 3PX -0.00126 -0.00143 -0.00503 0.00416 -0.00446 140 3PY -0.00084 -0.00491 -0.00037 0.00083 -0.00856 141 3PZ -0.00016 -0.00149 -0.00517 0.00248 -0.00116 142 4XX -0.00028 -0.00628 0.00686 -0.00228 0.00057 143 4YY 0.00017 0.00375 -0.00560 0.00174 -0.00182 144 4ZZ -0.00060 -0.00467 0.00595 -0.00163 0.00047 145 4XY 0.00024 0.00123 -0.00129 0.00031 -0.00076 146 4XZ 0.00098 0.00687 -0.00351 0.00073 0.00208 147 4YZ 0.00027 0.00142 -0.00131 0.00046 -0.00053 148 16 C 1S -0.00832 -0.04856 -0.00655 0.00750 -0.02720 149 2S 0.01661 0.09495 0.01404 -0.01607 0.05788 150 2PX -0.01294 -0.00478 -0.07197 0.02333 -0.02680 151 2PY -0.03223 -0.12616 -0.01112 0.01308 -0.04930 152 2PZ -0.00099 0.01719 -0.07319 0.01847 -0.00406 153 3S 0.00842 0.06469 0.00801 -0.00685 0.03410 154 3PX -0.00027 -0.00242 -0.00463 0.00114 0.00267 155 3PY -0.00683 -0.03465 0.00106 -0.00030 0.00238 156 3PZ 0.00050 0.00386 -0.00669 -0.00120 0.00411 157 4XX 0.00170 0.00136 0.00076 -0.00004 0.00183 158 4YY -0.00167 -0.00552 -0.00074 0.00073 -0.00471 159 4ZZ 0.00108 0.00238 -0.00075 0.00024 0.00107 160 4XY 0.00050 -0.00192 0.00667 -0.00173 0.00000 161 4XZ 0.00151 0.00754 0.00079 0.00008 0.00282 162 4YZ 0.00057 -0.00065 0.00711 -0.00172 0.00066 163 17 C 1S -0.03586 -0.07983 -0.11491 0.02605 -0.03755 164 2S 0.06785 0.15075 0.22174 -0.05133 0.06883 165 2PX -0.00695 0.03420 0.00455 -0.02021 0.00249 166 2PY -0.01790 -0.04108 -0.05966 0.01215 0.04206 167 2PZ 0.01090 0.02094 -0.01248 -0.00677 0.01444 168 3S 0.04575 0.10839 0.18603 -0.04696 0.09687 169 3PX -0.00219 0.00161 -0.00405 -0.00942 0.00184 170 3PY -0.00152 -0.00480 -0.00306 -0.00134 -0.00057 171 3PZ 0.00139 0.00336 -0.00339 -0.00354 0.01644 172 4XX -0.00120 -0.00442 -0.00792 0.00308 -0.00022 173 4YY 0.00073 0.00173 0.00508 -0.00144 -0.00453 174 4ZZ -0.00097 -0.00324 -0.00517 0.00014 0.00059 175 4XY 0.00017 -0.00056 -0.00012 0.00007 0.00016 176 4XZ 0.00060 0.00549 0.00395 -0.00139 0.00203 177 4YZ -0.00089 -0.00126 -0.00213 0.00012 0.00039 178 18 H 1S 0.01578 0.03087 0.06607 -0.00917 -0.02926 179 2S 0.00130 0.00137 0.00988 0.00064 -0.01137 180 19 H 1S 0.00389 0.04402 -0.05765 0.01759 -0.00859 181 2S -0.00007 0.00251 -0.00790 0.00315 -0.00286 182 20 H 1S 0.00389 0.04401 -0.05765 0.01757 0.00861 183 2S -0.00007 0.00251 -0.00790 0.00315 0.00286 184 21 H 1S 0.01578 0.03087 0.06607 -0.00922 0.02926 185 2S 0.00130 0.00137 0.00987 0.00063 0.01138 186 22 O 1S 0.01448 0.04500 0.00398 -0.00409 0.02164 187 2S -0.03327 -0.10320 -0.00840 0.00918 -0.04812 188 2PX -0.00060 0.00417 -0.01544 0.00538 -0.00670 189 2PY 0.00744 0.01319 0.00056 0.00061 -0.00274 190 2PZ -0.00131 -0.00007 -0.01650 0.00440 -0.00190 191 3S -0.02720 -0.08968 -0.01211 0.01105 -0.06146 192 3PX -0.00113 0.00046 -0.00605 0.00258 -0.00479 193 3PY 0.00054 -0.00258 0.00035 0.00091 -0.00192 194 3PZ -0.00017 0.00022 -0.00655 0.00221 -0.00148 195 4XX 0.00015 -0.00001 0.00071 -0.00018 0.00098 196 4YY -0.00043 0.00065 0.00030 -0.00039 0.00177 197 4ZZ 0.00000 0.00016 -0.00002 0.00004 0.00050 198 4XY 0.00027 -0.00020 0.00193 -0.00072 0.00111 199 4XZ 0.00009 0.00045 0.00018 0.00000 0.00027 200 4YZ 0.00009 -0.00016 0.00204 -0.00055 0.00013 201 23 O 1S 0.01448 0.04500 0.00398 -0.00405 -0.02164 202 2S -0.03327 -0.10320 -0.00840 0.00910 0.04812 203 2PX -0.00060 0.00417 -0.01544 0.00538 0.00670 204 2PY -0.00744 -0.01319 -0.00056 -0.00061 -0.00274 205 2PZ -0.00131 -0.00007 -0.01651 0.00440 0.00190 206 3S -0.02721 -0.08968 -0.01211 0.01095 0.06146 207 3PX -0.00113 0.00046 -0.00605 0.00257 0.00479 208 3PY -0.00054 0.00258 -0.00036 -0.00090 -0.00192 209 3PZ -0.00017 0.00022 -0.00655 0.00221 0.00148 210 4XX 0.00015 -0.00001 0.00071 -0.00018 -0.00098 211 4YY -0.00043 0.00065 0.00030 -0.00039 -0.00177 212 4ZZ 0.00000 0.00016 -0.00002 0.00004 -0.00050 213 4XY -0.00027 0.00020 -0.00193 0.00071 0.00111 214 4XZ 0.00009 0.00045 0.00018 0.00000 -0.00027 215 4YZ -0.00009 0.00016 -0.00204 0.00055 0.00013 21 22 23 24 25 O O O O O Eigenvalues -- -0.68579 -0.62326 -0.58491 -0.57991 -0.54923 1 1 C 1S 0.00000 0.00001 -0.02376 -0.08581 0.00000 2 2S 0.00000 -0.00002 0.04921 0.17289 0.00001 3 2PX 0.00000 0.00001 -0.04718 -0.09883 0.00001 4 2PY 0.03990 0.00175 0.00000 0.00000 -0.16970 5 2PZ 0.00000 0.00000 0.02023 -0.09309 0.00000 6 3S -0.00001 -0.00002 0.05539 0.19446 0.00001 7 3PX 0.00000 0.00000 -0.02692 -0.03587 0.00000 8 3PY 0.00998 -0.00207 0.00000 0.00000 -0.06252 9 3PZ 0.00000 0.00000 0.00798 -0.03350 0.00000 10 4XX 0.00000 0.00000 0.00062 0.00268 0.00000 11 4YY 0.00000 0.00000 -0.00162 -0.01458 0.00000 12 4ZZ 0.00000 0.00000 0.00053 0.00465 0.00000 13 4XY 0.00242 -0.00040 0.00000 0.00000 -0.00706 14 4XZ 0.00000 0.00000 -0.00046 -0.00701 0.00000 15 4YZ 0.00410 0.00165 0.00000 0.00000 -0.00576 16 2 H 1S 0.00000 -0.00001 0.04346 0.10585 0.00001 17 2S 0.00000 0.00000 0.01573 0.04887 0.00000 18 3 H 1S 0.00000 -0.00001 0.00397 0.11499 0.00000 19 2S 0.00000 0.00000 -0.00647 0.05564 0.00000 20 4 C 1S -0.04338 -0.00953 0.00432 0.09085 0.05962 21 2S 0.08709 0.02261 -0.00775 -0.18577 -0.12372 22 2PX -0.01226 -0.00984 -0.02219 -0.03116 0.07524 23 2PY 0.00532 -0.00386 -0.01326 -0.10130 -0.04935 24 2PZ 0.02959 0.03811 0.00817 -0.04050 0.15163 25 3S 0.08215 0.01269 -0.01124 -0.19240 -0.12234 26 3PX -0.00340 -0.00979 -0.00820 -0.01144 0.02504 27 3PY 0.00143 0.00333 -0.00085 -0.03735 -0.02568 28 3PZ 0.00836 0.01065 0.00377 -0.00247 0.05182 29 4XX -0.00463 -0.00188 0.00155 0.00878 0.00287 30 4YY -0.00010 -0.00005 0.00054 -0.00387 -0.00794 31 4ZZ 0.00062 0.00187 -0.00093 0.00729 0.01140 32 4XY -0.00049 -0.00019 0.00253 0.00587 -0.00019 33 4XZ 0.00208 0.00194 0.00161 0.00123 0.00031 34 4YZ -0.00158 -0.00060 0.00004 0.00542 -0.00006 35 5 H 1S 0.03139 0.00204 -0.00919 -0.11856 -0.10283 36 2S 0.00980 -0.00380 -0.00743 -0.05262 -0.05141 37 6 C 1S -0.03119 -0.02462 0.00329 -0.04302 -0.09111 38 2S 0.06325 0.05028 -0.00739 0.08804 0.18735 39 2PX -0.01070 -0.00332 -0.00560 0.03391 0.03271 40 2PY 0.03676 0.03047 -0.00211 -0.12164 0.11974 41 2PZ -0.02289 -0.00426 -0.00386 0.14819 0.06197 42 3S 0.04280 0.04629 -0.00447 0.08626 0.17964 43 3PX 0.00087 0.00166 -0.00239 0.00957 0.01770 44 3PY 0.01223 0.00963 -0.00119 -0.02844 0.04760 45 3PZ 0.00549 0.00143 -0.00290 0.04569 0.03783 46 4XX -0.00248 -0.00135 0.00100 -0.00269 -0.00580 47 4YY -0.00349 -0.00237 -0.00040 0.00505 -0.00772 48 4ZZ 0.00264 0.00129 -0.00032 -0.00746 0.00195 49 4XY -0.00049 0.00025 0.00030 0.00198 0.00473 50 4XZ 0.00254 0.00173 0.00033 0.00050 0.00344 51 4YZ -0.00086 0.00075 0.00020 0.00534 0.01008 52 7 H 1S 0.02265 0.02645 -0.00530 0.06185 0.14772 53 2S 0.00295 0.01097 -0.00231 0.02854 0.07147 54 8 C 1S 0.04337 0.00951 0.00433 0.09086 -0.05961 55 2S -0.08708 -0.02258 -0.00776 -0.18579 0.12370 56 2PX 0.01227 0.00986 -0.02219 -0.03116 -0.07525 57 2PY 0.00532 -0.00388 0.01325 0.10130 -0.04931 58 2PZ -0.02960 -0.03812 0.00819 -0.04049 -0.15161 59 3S -0.08215 -0.01265 -0.01125 -0.19243 0.12231 60 3PX 0.00340 0.00979 -0.00819 -0.01144 -0.02505 61 3PY 0.00143 0.00333 0.00085 0.03734 -0.02567 62 3PZ -0.00837 -0.01065 0.00378 -0.00247 -0.05181 63 4XX 0.00464 0.00188 0.00155 0.00878 -0.00287 64 4YY 0.00010 0.00005 0.00054 -0.00387 0.00794 65 4ZZ -0.00062 -0.00188 -0.00093 0.00729 -0.01141 66 4XY -0.00049 -0.00019 -0.00253 -0.00587 -0.00019 67 4XZ -0.00208 -0.00194 0.00161 0.00123 -0.00031 68 4YZ -0.00158 -0.00060 -0.00003 -0.00542 -0.00006 69 9 H 1S -0.03139 -0.00202 -0.00919 -0.11857 0.10280 70 2S -0.00980 0.00381 -0.00743 -0.05262 0.05139 71 10 C 1S 0.03120 0.02463 0.00328 -0.04302 0.09111 72 2S -0.06327 -0.05030 -0.00737 0.08804 -0.18735 73 2PX 0.01069 0.00331 -0.00560 0.03389 -0.03275 74 2PY 0.03675 0.03045 0.00210 0.12163 0.11977 75 2PZ 0.02289 0.00424 -0.00386 0.14821 -0.06197 76 3S -0.04281 -0.04631 -0.00446 0.08628 -0.17964 77 3PX -0.00087 -0.00166 -0.00239 0.00956 -0.01771 78 3PY 0.01222 0.00962 0.00118 0.02844 0.04761 79 3PZ -0.00549 -0.00144 -0.00289 0.04569 -0.03783 80 4XX 0.00248 0.00135 0.00100 -0.00269 0.00580 81 4YY 0.00349 0.00237 -0.00040 0.00505 0.00772 82 4ZZ -0.00264 -0.00129 -0.00032 -0.00746 -0.00195 83 4XY -0.00049 0.00025 -0.00030 -0.00198 0.00473 84 4XZ -0.00254 -0.00173 0.00033 0.00050 -0.00344 85 4YZ -0.00086 0.00075 -0.00020 -0.00534 0.01007 86 11 H 1S -0.02265 -0.02646 -0.00529 0.06185 -0.14773 87 2S -0.00295 -0.01097 -0.00230 0.02854 -0.07148 88 12 C 1S -0.06434 -0.08297 0.04039 -0.01131 0.00700 89 2S 0.12673 0.16613 -0.08185 0.02503 -0.01648 90 2PX 0.04952 0.01524 0.11608 0.01029 -0.02909 91 2PY -0.07442 -0.10940 -0.07708 0.03446 0.01087 92 2PZ 0.02880 -0.01491 0.12846 -0.03188 -0.01386 93 3S 0.12958 0.17663 -0.08620 0.00982 -0.00911 94 3PX 0.00302 0.00487 0.03902 -0.00115 -0.01685 95 3PY -0.00339 -0.04551 -0.01382 0.01267 0.00634 96 3PZ 0.00124 -0.00416 0.04076 -0.01727 -0.00040 97 4XX 0.00003 -0.00294 0.00722 -0.00160 0.00136 98 4YY -0.00762 -0.00644 -0.00484 0.00126 0.00037 99 4ZZ 0.00177 0.00098 0.00091 -0.00107 -0.00068 100 4XY -0.00374 -0.00165 -0.00182 0.00005 0.00261 101 4XZ 0.00754 0.00502 0.00349 0.00153 -0.00138 102 4YZ -0.00081 0.00319 -0.00352 0.00096 0.00114 103 13 C 1S -0.08912 -0.00005 -0.08336 0.00492 0.01111 104 2S 0.18805 0.00073 0.18284 -0.01199 -0.02322 105 2PX -0.01144 -0.14028 -0.00392 0.01388 0.03022 106 2PY 0.14375 -0.00381 0.09932 -0.00193 -0.00979 107 2PZ 0.01970 -0.14873 0.01868 -0.00742 0.02649 108 3S 0.15404 -0.00400 0.14518 -0.00439 -0.02823 109 3PX -0.00424 -0.01209 -0.00532 -0.00035 0.00716 110 3PY 0.03083 -0.00316 0.03681 0.00818 -0.00463 111 3PZ 0.00449 -0.01632 0.00522 -0.00823 -0.00021 112 4XX 0.00101 0.00069 -0.00477 -0.00103 0.00105 113 4YY -0.01256 0.00016 -0.00761 0.00119 0.00070 114 4ZZ 0.00222 -0.00117 -0.00515 0.00074 0.00090 115 4XY 0.00131 -0.00469 0.00067 -0.00074 0.00079 116 4XZ 0.00978 -0.00016 0.00092 0.00026 0.00064 117 4YZ -0.00004 -0.00481 0.00007 -0.00054 0.00061 118 14 C 1S -0.07119 0.08238 0.03996 -0.00005 -0.01509 119 2S 0.14247 -0.16772 -0.08178 -0.00082 0.03137 120 2PX -0.03306 -0.00341 -0.12369 0.00428 0.01248 121 2PY -0.09105 0.11760 -0.09553 0.00336 -0.02298 122 2PZ -0.03937 0.00129 -0.14084 0.00256 0.00978 123 3S 0.13816 -0.15876 -0.07639 0.00370 0.03247 124 3PX -0.00265 -0.00279 -0.03908 0.00091 0.00264 125 3PY -0.00930 0.05493 -0.01747 -0.00232 -0.01383 126 3PZ -0.00193 -0.00039 -0.04542 0.00171 0.00037 127 4XX -0.00002 0.00205 0.00407 -0.00039 -0.00077 128 4YY -0.00715 0.00523 -0.00495 0.00006 -0.00057 129 4ZZ 0.00192 0.00032 0.00529 -0.00004 -0.00028 130 4XY 0.00181 0.00160 0.00295 -0.00023 -0.00142 131 4XZ 0.00855 -0.00639 0.00213 -0.00041 0.00111 132 4YZ 0.00219 0.00116 0.00326 -0.00004 -0.00115 133 15 C 1S 0.07120 -0.08239 0.03994 -0.00006 0.01509 134 2S -0.14248 0.16775 -0.08175 -0.00079 -0.03137 135 2PX 0.03307 0.00341 -0.12369 0.00429 -0.01249 136 2PY -0.09104 0.11758 0.09553 -0.00334 -0.02296 137 2PZ 0.03937 -0.00127 -0.14084 0.00257 -0.00980 138 3S -0.13816 0.15878 -0.07635 0.00373 -0.03248 139 3PX 0.00265 0.00279 -0.03908 0.00091 -0.00264 140 3PY -0.00930 0.05493 0.01747 0.00233 -0.01382 141 3PZ 0.00193 0.00040 -0.04543 0.00171 -0.00038 142 4XX 0.00002 -0.00206 0.00407 -0.00039 0.00077 143 4YY 0.00715 -0.00523 -0.00495 0.00006 0.00057 144 4ZZ -0.00192 -0.00032 0.00529 -0.00004 0.00028 145 4XY 0.00181 0.00160 -0.00295 0.00023 -0.00142 146 4XZ -0.00855 0.00639 0.00213 -0.00041 -0.00111 147 4YZ 0.00219 0.00116 -0.00326 0.00004 -0.00115 148 16 C 1S 0.08912 0.00007 -0.08335 0.00493 -0.01112 149 2S -0.18805 -0.00077 0.18282 -0.01200 0.02324 150 2PX 0.01142 0.14028 -0.00387 0.01391 -0.03020 151 2PY 0.14375 -0.00378 -0.09932 0.00194 -0.00980 152 2PZ -0.01969 0.14874 0.01870 -0.00739 -0.02648 153 3S -0.15403 0.00398 0.14515 -0.00441 0.02824 154 3PX 0.00424 0.01209 -0.00531 -0.00035 -0.00715 155 3PY 0.03083 -0.00316 -0.03681 -0.00818 -0.00463 156 3PZ -0.00449 0.01632 0.00522 -0.00823 0.00021 157 4XX -0.00101 -0.00069 -0.00477 -0.00103 -0.00105 158 4YY 0.01256 -0.00016 -0.00761 0.00119 -0.00070 159 4ZZ -0.00222 0.00117 -0.00515 0.00074 -0.00090 160 4XY 0.00131 -0.00469 -0.00067 0.00074 0.00079 161 4XZ -0.00978 0.00016 0.00092 0.00025 -0.00064 162 4YZ -0.00004 -0.00481 -0.00007 0.00054 0.00061 163 17 C 1S 0.06434 0.08297 0.04040 -0.01130 -0.00699 164 2S -0.12672 -0.16613 -0.08187 0.02500 0.01647 165 2PX -0.04951 -0.01524 0.11608 0.01027 0.02909 166 2PY -0.07444 -0.10942 0.07707 -0.03448 0.01088 167 2PZ -0.02881 0.01489 0.12846 -0.03188 0.01387 168 3S -0.12957 -0.17663 -0.08622 0.00980 0.00910 169 3PX -0.00302 -0.00487 0.03902 -0.00116 0.01684 170 3PY -0.00339 -0.04551 0.01381 -0.01267 0.00635 171 3PZ -0.00124 0.00415 0.04076 -0.01726 0.00040 172 4XX -0.00003 0.00294 0.00721 -0.00159 -0.00136 173 4YY 0.00762 0.00644 -0.00484 0.00126 -0.00037 174 4ZZ -0.00177 -0.00098 0.00091 -0.00107 0.00068 175 4XY -0.00374 -0.00165 0.00182 -0.00006 0.00261 176 4XZ -0.00754 -0.00502 0.00349 0.00153 0.00138 177 4YZ -0.00081 0.00319 0.00352 -0.00096 0.00114 178 18 H 1S 0.04407 0.09183 -0.08188 0.01199 0.00472 179 2S 0.00871 0.03386 -0.03958 0.00599 0.00787 180 19 H 1S 0.05316 -0.09315 -0.08260 0.00066 0.02651 181 2S 0.01233 -0.03292 -0.03916 0.00013 0.01339 182 20 H 1S -0.05316 0.09316 -0.08258 0.00067 -0.02652 183 2S -0.01233 0.03293 -0.03915 0.00014 -0.01340 184 21 H 1S -0.04406 -0.09182 -0.08190 0.01197 -0.00473 185 2S -0.00871 -0.03386 -0.03958 0.00599 -0.00787 186 22 O 1S -0.05774 0.00120 0.03810 -0.00461 0.00426 187 2S 0.12984 -0.00291 -0.08739 0.00959 -0.00918 188 2PX 0.00043 0.05064 -0.00443 0.00892 -0.01357 189 2PY 0.02695 -0.00268 -0.05914 0.00378 -0.00949 190 2PZ -0.00465 0.05461 0.00893 -0.00349 -0.01062 191 3S 0.16041 -0.00283 -0.11097 0.01934 -0.01538 192 3PX -0.00019 0.02682 -0.00222 0.00581 -0.00669 193 3PY 0.01677 -0.00132 -0.03649 0.00048 -0.00484 194 3PZ -0.00209 0.02881 0.00518 -0.00038 -0.00624 195 4XX -0.00079 -0.00128 -0.00082 -0.00088 0.00013 196 4YY -0.00655 0.00036 0.00805 -0.00064 0.00117 197 4ZZ -0.00106 0.00091 -0.00071 -0.00026 -0.00010 198 4XY -0.00060 -0.00538 0.00097 -0.00087 0.00133 199 4XZ -0.00107 -0.00028 0.00028 0.00008 -0.00010 200 4YZ 0.00095 -0.00579 -0.00139 0.00025 0.00105 201 23 O 1S 0.05773 -0.00121 0.03811 -0.00460 -0.00426 202 2S -0.12984 0.00292 -0.08740 0.00959 0.00917 203 2PX -0.00043 -0.05065 -0.00445 0.00891 0.01357 204 2PY 0.02695 -0.00269 0.05915 -0.00377 -0.00948 205 2PZ 0.00465 -0.05461 0.00892 -0.00350 0.01063 206 3S -0.16041 0.00285 -0.11098 0.01933 0.01536 207 3PX 0.00019 -0.02683 -0.00223 0.00580 0.00670 208 3PY 0.01677 -0.00133 0.03650 -0.00048 -0.00484 209 3PZ 0.00209 -0.02881 0.00517 -0.00039 0.00624 210 4XX 0.00079 0.00129 -0.00082 -0.00088 -0.00013 211 4YY 0.00655 -0.00036 0.00805 -0.00064 -0.00116 212 4ZZ 0.00106 -0.00091 -0.00071 -0.00026 0.00010 213 4XY -0.00060 -0.00538 -0.00097 0.00087 0.00133 214 4XZ 0.00107 0.00028 0.00028 0.00008 0.00010 215 4YZ 0.00095 -0.00579 0.00139 -0.00025 0.00105 26 27 28 29 30 O O O O O Eigenvalues -- -0.53777 -0.49217 -0.48233 -0.46758 -0.46721 1 1 C 1S -0.01049 0.00603 -0.00019 -0.00735 -0.00001 2 2S 0.02198 -0.01016 -0.00110 0.02082 0.00003 3 2PX -0.09224 0.10256 0.03637 0.23826 0.00038 4 2PY -0.00001 0.00001 0.00000 0.00006 -0.02305 5 2PZ -0.15116 -0.06855 -0.04595 -0.18488 -0.00030 6 3S 0.03214 -0.03478 0.00440 0.00002 0.00000 7 3PX -0.02984 0.04978 0.02293 0.09081 0.00015 8 3PY 0.00000 0.00001 0.00000 0.00002 -0.00810 9 3PZ -0.06004 -0.04153 -0.03188 -0.09983 -0.00016 10 4XX -0.00021 -0.00313 -0.00119 -0.00888 -0.00001 11 4YY 0.00429 0.00064 0.00078 -0.00021 0.00000 12 4ZZ -0.00022 0.00169 -0.00024 0.00693 0.00001 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00026 14 4XZ -0.00873 0.00189 0.00020 0.00650 0.00001 15 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00258 16 2 H 1S 0.03809 -0.07093 -0.02659 -0.15801 -0.00025 17 2S 0.02953 -0.04184 -0.01354 -0.12007 -0.00019 18 3 H 1S 0.08425 0.03868 0.02418 0.12235 0.00020 19 2S 0.04933 0.02723 0.00632 0.07542 0.00012 20 4 C 1S -0.01606 -0.00339 -0.00582 0.00219 0.01303 21 2S 0.03364 0.00557 0.01216 -0.00781 -0.02732 22 2PX -0.01315 0.03536 0.01463 0.10169 0.02255 23 2PY 0.21293 -0.00710 0.02205 -0.05603 -0.00310 24 2PZ -0.05368 -0.03408 -0.01947 -0.09585 -0.01031 25 3S 0.04697 0.01859 0.01726 0.01467 -0.04560 26 3PX -0.01051 0.01073 0.00529 0.05410 0.01061 27 3PY 0.08243 -0.01196 0.00153 -0.03493 -0.00044 28 3PZ -0.01961 -0.01541 -0.00046 -0.03999 -0.01771 29 4XX 0.00119 -0.00170 -0.00068 -0.00125 0.00077 30 4YY -0.00083 0.00060 0.00044 0.00163 -0.00112 31 4ZZ 0.00198 0.00085 -0.00026 0.00106 0.00202 32 4XY -0.00160 -0.00297 -0.00279 -0.00489 0.00015 33 4XZ 0.00199 -0.00001 0.00116 0.00158 -0.00175 34 4YZ 0.00333 0.00264 0.00237 0.00475 0.00077 35 5 H 1S 0.12332 0.00070 0.01683 -0.02672 -0.01474 36 2S 0.06603 -0.00214 0.01470 -0.01102 -0.00391 37 6 C 1S -0.01560 0.00045 0.00254 0.00141 -0.00933 38 2S 0.03082 -0.00124 -0.00561 -0.00342 0.01772 39 2PX 0.05951 0.03081 0.02943 0.09284 0.01532 40 2PY 0.13795 0.00138 0.03494 -0.06216 0.01441 41 2PZ 0.17006 0.00999 0.02030 0.00115 0.03362 42 3S 0.05630 0.00024 -0.00633 -0.00572 0.03742 43 3PX 0.01902 0.01531 0.01465 0.04629 0.00042 44 3PY 0.04273 0.00308 0.01119 -0.01861 0.00681 45 3PZ 0.05209 0.00272 0.00848 -0.00150 -0.00092 46 4XX 0.00021 -0.00084 0.00035 -0.00210 -0.00101 47 4YY 0.00225 0.00007 -0.00043 0.00061 -0.00018 48 4ZZ 0.00039 0.00109 0.00136 0.00103 0.00043 49 4XY -0.00037 -0.00064 -0.00107 -0.00243 0.00138 50 4XZ 0.00139 -0.00152 -0.00090 -0.00523 0.00038 51 4YZ -0.00393 0.00043 -0.00002 0.00213 0.00309 52 7 H 1S 0.12700 0.00943 0.02170 -0.00559 0.03305 53 2S 0.07751 0.00733 0.01473 -0.00469 0.02784 54 8 C 1S -0.01607 -0.00339 -0.00583 0.00222 -0.01303 55 2S 0.03366 0.00557 0.01217 -0.00788 0.02731 56 2PX -0.01314 0.03536 0.01462 0.10177 -0.02224 57 2PY -0.21292 0.00714 -0.02201 0.05612 -0.00294 58 2PZ -0.05371 -0.03408 -0.01947 -0.09587 0.01002 59 3S 0.04698 0.01860 0.01727 0.01455 0.04565 60 3PX -0.01051 0.01073 0.00529 0.05414 -0.01044 61 3PY -0.08244 0.01198 -0.00151 0.03495 -0.00034 62 3PZ -0.01962 -0.01541 -0.00046 -0.04004 0.01759 63 4XX 0.00119 -0.00170 -0.00069 -0.00125 -0.00078 64 4YY -0.00083 0.00060 0.00044 0.00162 0.00112 65 4ZZ 0.00198 0.00085 -0.00026 0.00107 -0.00202 66 4XY 0.00161 0.00297 0.00279 0.00489 0.00017 67 4XZ 0.00199 -0.00001 0.00116 0.00157 0.00176 68 4YZ -0.00334 -0.00264 -0.00237 -0.00475 0.00075 69 9 H 1S 0.12333 0.00068 0.01681 -0.02680 0.01466 70 2S 0.06603 -0.00215 0.01469 -0.01107 0.00388 71 10 C 1S -0.01559 0.00045 0.00254 0.00139 0.00934 72 2S 0.03080 -0.00123 -0.00561 -0.00337 -0.01774 73 2PX 0.05953 0.03081 0.02943 0.09287 -0.01503 74 2PY -0.13794 -0.00137 -0.03493 0.06214 0.01458 75 2PZ 0.17003 0.00999 0.02028 0.00123 -0.03363 76 3S 0.05628 0.00024 -0.00633 -0.00560 -0.03745 77 3PX 0.01903 0.01531 0.01465 0.04628 -0.00027 78 3PY -0.04272 -0.00308 -0.01119 0.01861 0.00686 79 3PZ 0.05208 0.00272 0.00848 -0.00152 0.00092 80 4XX 0.00021 -0.00084 0.00035 -0.00210 0.00101 81 4YY 0.00225 0.00007 -0.00043 0.00061 0.00018 82 4ZZ 0.00039 0.00109 0.00136 0.00103 -0.00042 83 4XY 0.00037 0.00064 0.00107 0.00242 0.00138 84 4XZ 0.00139 -0.00152 -0.00090 -0.00523 -0.00040 85 4YZ 0.00394 -0.00043 0.00002 -0.00214 0.00309 86 11 H 1S 0.12698 0.00943 0.02169 -0.00552 -0.03307 87 2S 0.07750 0.00733 0.01473 -0.00462 -0.02785 88 12 C 1S 0.00502 -0.00077 -0.00308 0.02164 0.04461 89 2S -0.01119 0.00165 0.00397 -0.04763 -0.08793 90 2PX -0.00063 -0.10357 -0.02186 -0.05431 0.08308 91 2PY -0.05707 0.11800 0.21409 -0.12968 0.05742 92 2PZ -0.01273 -0.04420 0.06606 0.09264 0.12640 93 3S -0.00804 -0.01422 -0.00681 -0.05054 -0.16164 94 3PX -0.00472 -0.04615 -0.00553 -0.03725 0.01970 95 3PY -0.01790 0.04973 0.07595 -0.03495 0.00413 96 3PZ -0.00556 -0.01693 0.03680 0.04278 0.02486 97 4XX 0.00094 -0.00084 -0.00197 0.00464 0.00472 98 4YY -0.00082 0.00077 0.00184 -0.00362 0.00360 99 4ZZ 0.00141 0.00074 -0.00555 0.00345 -0.00374 100 4XY 0.00103 0.00073 0.00276 -0.00410 -0.00762 101 4XZ 0.00140 -0.00218 -0.00290 -0.00129 -0.00123 102 4YZ -0.00096 0.00096 0.00130 -0.00027 -0.01264 103 13 C 1S -0.00731 -0.01536 0.04349 -0.00980 -0.07107 104 2S 0.01468 0.03708 -0.10299 0.02240 0.15790 105 2PX -0.01673 0.14526 0.04525 -0.11088 0.00344 106 2PY -0.00315 -0.02774 0.09096 -0.02416 -0.00520 107 2PZ -0.00342 0.17735 0.07931 -0.00436 0.00529 108 3S 0.02391 0.03856 -0.10471 0.02828 0.18764 109 3PX -0.00655 0.02675 0.00462 -0.04647 -0.00687 110 3PY -0.00162 -0.01567 0.02372 -0.00500 0.06743 111 3PZ 0.00138 0.04167 0.01411 0.00204 0.01397 112 4XX 0.00011 0.00115 0.00042 0.00052 -0.00835 113 4YY -0.00233 -0.00513 0.01181 -0.00074 -0.00115 114 4ZZ 0.00030 0.00063 -0.00155 -0.00207 -0.01033 115 4XY 0.00131 -0.00211 -0.00065 0.00223 -0.00048 116 4XZ 0.00048 0.00190 -0.00477 -0.00084 -0.00402 117 4YZ 0.00026 -0.00261 0.00115 0.00304 0.00076 118 14 C 1S 0.00058 0.00942 -0.00307 -0.00264 0.04317 119 2S -0.00175 -0.01930 0.00385 0.00489 -0.08600 120 2PX -0.00432 -0.02608 -0.10389 -0.03162 -0.10303 121 2PY -0.00468 -0.27553 0.12697 0.08275 0.06136 122 2PZ 0.00376 -0.03245 -0.10154 0.03210 -0.11646 123 3S -0.00136 0.01327 0.01220 0.00475 -0.15471 124 3PX -0.00181 -0.01073 -0.04723 -0.01609 -0.01159 125 3PY -0.00024 -0.09082 0.03075 0.02447 0.01384 126 3PZ 0.00355 -0.01229 -0.04585 0.01856 -0.01913 127 4XX 0.00038 0.00389 -0.00285 0.00127 0.00050 128 4YY -0.00029 -0.00246 0.00085 0.00098 0.00281 129 4ZZ -0.00005 0.00452 -0.00431 -0.00369 0.00079 130 4XY 0.00017 0.00155 -0.00064 -0.00028 0.01095 131 4XZ -0.00018 0.00399 -0.00324 -0.00130 -0.00327 132 4YZ 0.00014 0.00229 -0.00022 0.00058 0.01239 133 15 C 1S 0.00058 0.00942 -0.00306 -0.00250 -0.04318 134 2S -0.00175 -0.01929 0.00383 0.00462 0.08602 135 2PX -0.00432 -0.02611 -0.10388 -0.03193 0.10290 136 2PY 0.00468 0.27554 -0.12699 -0.08295 0.06106 137 2PZ 0.00376 -0.03245 -0.10155 0.03173 0.11655 138 3S -0.00136 0.01329 0.01218 0.00427 0.15472 139 3PX -0.00181 -0.01074 -0.04722 -0.01612 0.01153 140 3PY 0.00023 0.09082 -0.03076 -0.02452 0.01376 141 3PZ 0.00355 -0.01228 -0.04585 0.01850 0.01919 142 4XX 0.00038 0.00389 -0.00285 0.00127 -0.00050 143 4YY -0.00029 -0.00246 0.00085 0.00098 -0.00281 144 4ZZ -0.00005 0.00452 -0.00431 -0.00368 -0.00080 145 4XY -0.00017 -0.00155 0.00064 0.00025 0.01095 146 4XZ -0.00018 0.00399 -0.00324 -0.00131 0.00327 147 4YZ -0.00014 -0.00229 0.00022 -0.00061 0.01239 148 16 C 1S -0.00732 -0.01536 0.04348 -0.01002 0.07105 149 2S 0.01469 0.03708 -0.10296 0.02291 -0.15784 150 2PX -0.01673 0.14524 0.04526 -0.11086 -0.00378 151 2PY 0.00314 0.02776 -0.09093 0.02415 -0.00512 152 2PZ -0.00343 0.17735 0.07931 -0.00437 -0.00530 153 3S 0.02391 0.03856 -0.10468 0.02887 -0.18756 154 3PX -0.00655 0.02675 0.00461 -0.04648 0.00671 155 3PY 0.00162 0.01567 -0.02373 0.00479 0.06745 156 3PZ 0.00137 0.04167 0.01411 0.00208 -0.01397 157 4XX 0.00011 0.00115 0.00042 0.00050 0.00835 158 4YY -0.00233 -0.00513 0.01181 -0.00074 0.00115 159 4ZZ 0.00030 0.00063 -0.00155 -0.00211 0.01032 160 4XY -0.00131 0.00211 0.00065 -0.00223 -0.00049 161 4XZ 0.00048 0.00190 -0.00477 -0.00086 0.00402 162 4YZ -0.00026 0.00261 -0.00115 -0.00304 0.00075 163 17 C 1S 0.00501 -0.00077 -0.00307 0.02178 -0.04454 164 2S -0.01118 0.00165 0.00396 -0.04792 0.08779 165 2PX -0.00062 -0.10356 -0.02184 -0.05404 -0.08328 166 2PY 0.05707 -0.11801 -0.21410 0.12950 0.05777 167 2PZ -0.01273 -0.04420 0.06608 0.09301 -0.12611 168 3S -0.00803 -0.01422 -0.00683 -0.05105 0.16147 169 3PX -0.00472 -0.04614 -0.00552 -0.03718 -0.01983 170 3PY 0.01789 -0.04973 -0.07595 0.03494 0.00422 171 3PZ -0.00555 -0.01693 0.03680 0.04285 -0.02472 172 4XX 0.00094 -0.00084 -0.00196 0.00465 -0.00470 173 4YY -0.00082 0.00077 0.00184 -0.00361 -0.00361 174 4ZZ 0.00141 0.00074 -0.00555 0.00344 0.00375 175 4XY -0.00103 -0.00073 -0.00276 0.00413 -0.00761 176 4XZ 0.00140 -0.00218 -0.00290 -0.00129 0.00123 177 4YZ 0.00096 -0.00096 -0.00130 0.00031 -0.01264 178 18 H 1S 0.01863 0.00875 -0.07988 -0.01237 -0.13986 179 2S 0.01464 0.00321 -0.04448 0.00286 -0.10574 180 19 H 1S 0.00050 0.05253 -0.10256 -0.02237 -0.14443 181 2S -0.00027 0.03726 -0.06267 -0.02098 -0.11221 182 20 H 1S 0.00049 0.05254 -0.10258 -0.02283 0.14433 183 2S -0.00028 0.03727 -0.06268 -0.02133 0.11212 184 21 H 1S 0.01863 0.00876 -0.07990 -0.01280 0.13981 185 2S 0.01465 0.00322 -0.04449 0.00254 0.10574 186 22 O 1S 0.00818 0.02108 -0.05647 0.00806 -0.03708 187 2S -0.01798 -0.04384 0.11855 -0.01696 0.08267 188 2PX -0.01523 0.07661 0.05374 -0.08349 0.02116 189 2PY -0.01254 -0.06282 0.18103 -0.02187 0.16076 190 2PZ -0.00084 0.11423 0.02355 -0.00299 -0.01699 191 3S -0.03085 -0.09117 0.23564 -0.03312 0.12116 192 3PX -0.00898 0.04739 0.02858 -0.04726 0.01183 193 3PY -0.00444 -0.02849 0.08579 -0.01060 0.09212 194 3PZ -0.00060 0.06597 0.01638 -0.00293 -0.00840 195 4XX 0.00077 -0.00062 -0.00278 0.00176 0.00144 196 4YY 0.00123 0.00619 -0.01653 0.00130 -0.01298 197 4ZZ 0.00019 0.00260 -0.00176 -0.00005 0.00176 198 4XY 0.00123 -0.00630 -0.00514 0.00661 -0.00220 199 4XZ 0.00002 0.00004 -0.00177 -0.00055 0.00059 200 4YZ 0.00001 -0.00984 -0.00175 -0.00010 0.00165 201 23 O 1S 0.00818 0.02108 -0.05649 0.00794 0.03710 202 2S -0.01798 -0.04384 0.11858 -0.01670 -0.08271 203 2PX -0.01523 0.07662 0.05378 -0.08343 -0.02144 204 2PY 0.01254 0.06283 -0.18109 0.02136 0.16083 205 2PZ -0.00083 0.11424 0.02354 -0.00303 0.01698 206 3S -0.03084 -0.09117 0.23569 -0.03274 -0.12124 207 3PX -0.00899 0.04740 0.02860 -0.04722 -0.01199 208 3PY 0.00443 0.02850 -0.08582 0.01031 0.09215 209 3PZ -0.00059 0.06598 0.01638 -0.00295 0.00839 210 4XX 0.00077 -0.00062 -0.00278 0.00177 -0.00144 211 4YY 0.00123 0.00620 -0.01653 0.00126 0.01298 212 4ZZ 0.00019 0.00260 -0.00176 -0.00005 -0.00176 213 4XY -0.00123 0.00630 0.00514 -0.00661 -0.00223 214 4XZ 0.00002 0.00004 -0.00177 -0.00055 -0.00059 215 4YZ -0.00001 0.00984 0.00174 0.00010 0.00166 31 32 33 34 35 O O O O O Eigenvalues -- -0.44676 -0.41702 -0.40751 -0.40696 -0.40005 1 1 C 1S -0.01022 0.00000 -0.00001 0.00136 0.01881 2 2S 0.02009 0.00000 0.00004 -0.00717 -0.03940 3 2PX -0.07045 0.00004 0.00097 -0.16014 -0.11327 4 2PY -0.00001 -0.00534 -0.08155 -0.00050 0.00002 5 2PZ 0.01933 -0.00001 -0.00048 0.09158 -0.12680 6 3S 0.03926 -0.00001 -0.00020 0.02846 -0.09119 7 3PX -0.03499 0.00002 0.00039 -0.06635 -0.07089 8 3PY 0.00000 -0.00566 -0.01187 -0.00008 0.00000 9 3PZ -0.00357 -0.00002 -0.00039 0.06877 -0.04770 10 4XX 0.00514 0.00000 -0.00007 0.01203 0.00033 11 4YY -0.00231 0.00000 0.00004 -0.00530 -0.00112 12 4ZZ -0.00289 0.00000 0.00002 -0.00472 0.00612 13 4XY 0.00000 0.00042 -0.00478 -0.00003 0.00000 14 4XZ -0.00178 0.00000 0.00002 -0.00412 -0.00383 15 4YZ 0.00000 0.00211 -0.01068 -0.00006 0.00000 16 2 H 1S 0.05612 -0.00003 -0.00070 0.11903 0.03192 17 2S 0.04154 -0.00002 -0.00059 0.10112 0.02752 18 3 H 1S -0.01322 0.00001 0.00031 -0.06121 0.06196 19 2S -0.03000 0.00000 0.00016 -0.03535 0.07259 20 4 C 1S 0.00517 -0.00791 0.02755 0.01413 0.00598 21 2S -0.01230 0.01777 -0.06420 -0.02797 -0.01532 22 2PX 0.01749 0.01903 -0.02949 0.02630 0.00624 23 2PY -0.00192 -0.03758 0.24771 -0.02418 0.11860 24 2PZ 0.01230 0.04374 -0.16383 0.06769 -0.00876 25 3S -0.00617 0.02270 -0.10785 -0.06620 -0.01442 26 3PX 0.01158 0.00993 -0.00275 0.01666 -0.00361 27 3PY -0.00720 -0.01424 0.09095 0.01492 0.03580 28 3PZ 0.01964 0.02174 -0.06041 0.02290 -0.02469 29 4XX 0.00427 0.00020 0.00017 0.00702 0.00062 30 4YY -0.00230 -0.00275 0.01592 -0.00590 0.00395 31 4ZZ -0.00147 0.00007 -0.00692 0.00097 -0.00060 32 4XY 0.00008 0.00024 -0.00402 0.00259 -0.00407 33 4XZ 0.00166 0.00063 -0.00141 -0.00105 -0.00037 34 4YZ 0.00182 -0.00091 0.00054 -0.00048 -0.01075 35 5 H 1S -0.01295 -0.02358 0.15304 -0.04487 0.07415 36 2S -0.00443 -0.01646 0.14710 -0.03635 0.07283 37 6 C 1S 0.00592 0.00219 0.01384 0.00461 -0.01470 38 2S -0.01525 -0.00491 -0.03707 -0.01543 0.03435 39 2PX 0.03239 -0.01555 0.07779 0.01498 -0.02462 40 2PY 0.05412 -0.01200 0.01978 0.07602 -0.25066 41 2PZ 0.00338 -0.06836 0.23293 -0.04072 -0.05884 42 3S -0.02050 -0.00391 -0.02095 0.00403 0.05281 43 3PX 0.01978 0.00150 0.01824 0.01063 -0.00766 44 3PY 0.01456 -0.00986 0.01360 0.02351 -0.07828 45 3PZ 0.00031 -0.02071 0.04596 -0.03024 -0.02377 46 4XX 0.00113 0.00000 0.00026 0.00190 -0.00181 47 4YY -0.00201 -0.00233 0.01104 -0.00331 0.00686 48 4ZZ 0.00122 0.00017 -0.00406 0.00146 -0.01182 49 4XY -0.00052 -0.00128 0.00489 0.00021 -0.00236 50 4XZ -0.00107 -0.00098 -0.00015 -0.00001 -0.00511 51 4YZ 0.00054 -0.00480 0.01346 0.00093 -0.00579 52 7 H 1S 0.01957 -0.04537 0.12661 0.00753 -0.11744 53 2S 0.02088 -0.03906 0.12878 0.01876 -0.11127 54 8 C 1S 0.00517 0.00790 -0.02773 0.01380 0.00598 55 2S -0.01229 -0.01776 0.06453 -0.02719 -0.01532 56 2PX 0.01750 -0.01903 0.02908 0.02671 0.00626 57 2PY 0.00194 -0.03757 0.24735 0.02719 -0.11861 58 2PZ 0.01231 -0.04378 0.16292 0.06968 -0.00874 59 3S -0.00615 -0.02266 0.10869 -0.06490 -0.01442 60 3PX 0.01158 -0.00993 0.00250 0.01673 -0.00360 61 3PY 0.00721 -0.01422 0.09113 -0.01382 -0.03582 62 3PZ 0.01965 -0.02174 0.06011 0.02363 -0.02469 63 4XX 0.00427 -0.00020 -0.00025 0.00702 0.00062 64 4YY -0.00230 0.00275 -0.01584 -0.00610 0.00394 65 4ZZ -0.00147 -0.00007 0.00690 0.00106 -0.00060 66 4XY -0.00008 0.00024 -0.00399 -0.00263 0.00408 67 4XZ 0.00166 -0.00063 0.00142 -0.00103 -0.00038 68 4YZ -0.00182 -0.00091 0.00054 0.00049 0.01075 69 9 H 1S -0.01296 0.02359 -0.15243 -0.04674 0.07415 70 2S -0.00443 0.01647 -0.14659 -0.03815 0.07282 71 10 C 1S 0.00593 -0.00219 -0.01390 0.00444 -0.01470 72 2S -0.01526 0.00491 0.03726 -0.01498 0.03435 73 2PX 0.03239 0.01555 -0.07796 0.01406 -0.02467 74 2PY -0.05410 -0.01202 0.02085 -0.07576 0.25066 75 2PZ 0.00334 0.06839 -0.23234 -0.04357 -0.05883 76 3S -0.02052 0.00389 0.02088 0.00428 0.05281 77 3PX 0.01978 -0.00150 -0.01836 0.01042 -0.00768 78 3PY -0.01455 -0.00987 0.01393 -0.02333 0.07828 79 3PZ 0.00031 0.02073 -0.04555 -0.03081 -0.02377 80 4XX 0.00113 0.00000 -0.00029 0.00190 -0.00181 81 4YY -0.00201 0.00233 -0.01100 -0.00344 0.00686 82 4ZZ 0.00122 -0.00017 0.00404 0.00150 -0.01182 83 4XY 0.00052 -0.00128 0.00490 -0.00015 0.00236 84 4XZ -0.00107 0.00098 0.00015 -0.00001 -0.00512 85 4YZ -0.00053 -0.00480 0.01347 -0.00077 0.00579 86 11 H 1S 0.01954 0.04539 -0.12671 0.00598 -0.11746 87 2S 0.02086 0.03907 -0.12901 0.01719 -0.11128 88 12 C 1S -0.01831 0.00503 -0.00581 -0.00396 0.00213 89 2S 0.03787 -0.00821 0.00707 0.00577 -0.00737 90 2PX 0.06688 -0.06519 -0.00918 -0.12059 0.02021 91 2PY 0.11800 -0.01063 -0.00618 -0.06470 -0.11765 92 2PZ 0.20377 -0.10305 -0.02510 -0.05509 -0.01361 93 3S 0.08493 -0.08068 0.04270 0.00253 0.00655 94 3PX 0.03035 -0.04276 0.00350 -0.06062 0.02326 95 3PY 0.01787 -0.04195 0.01126 -0.01505 -0.03421 96 3PZ 0.09103 -0.07071 -0.00246 -0.01676 0.01113 97 4XX -0.00369 -0.00211 -0.00077 -0.00782 0.00021 98 4YY 0.00367 0.00475 -0.00040 -0.00054 -0.00432 99 4ZZ -0.00674 -0.00003 -0.00031 0.00937 0.00494 100 4XY -0.00186 0.00249 -0.00103 0.00024 0.00286 101 4XZ -0.00283 -0.00231 -0.00114 0.00193 0.00453 102 4YZ -0.00217 0.00635 0.00251 0.00078 0.00061 103 13 C 1S 0.00505 -0.00550 0.00358 0.00287 0.00757 104 2S -0.01135 0.01413 -0.00634 -0.00543 -0.01786 105 2PX -0.13946 0.05791 0.02368 -0.09689 -0.03647 106 2PY 0.00884 -0.25218 -0.05054 -0.04593 0.13723 107 2PZ -0.00556 -0.03640 -0.04474 0.17484 0.04405 108 3S -0.01388 0.00214 -0.02862 -0.01043 -0.01441 109 3PX -0.02283 0.00885 0.01140 -0.07739 -0.00915 110 3PY -0.01550 0.01115 -0.00779 -0.02401 -0.01812 111 3PZ 0.04182 -0.01017 -0.01937 0.07292 0.01601 112 4XX 0.00138 -0.00570 -0.00052 -0.00284 0.00532 113 4YY 0.00071 0.00023 -0.00092 0.00189 -0.00689 114 4ZZ -0.00053 -0.00497 -0.00040 0.00206 0.00745 115 4XY -0.00632 -0.00128 -0.00201 0.00689 0.00233 116 4XZ -0.00020 -0.00116 -0.00007 0.00113 0.00444 117 4YZ -0.00742 0.00083 0.00119 -0.00076 -0.00179 118 14 C 1S 0.01320 0.00504 -0.00221 -0.00906 0.00167 119 2S -0.03044 -0.00954 0.00428 0.02024 -0.00632 120 2PX 0.08362 0.07327 0.04013 -0.15401 -0.02465 121 2PY -0.12389 -0.00879 -0.00621 0.04575 -0.13192 122 2PZ 0.18159 0.06797 0.02950 0.02637 0.00741 123 3S -0.05607 -0.07911 0.00405 0.04235 0.01108 124 3PX 0.02324 0.05309 0.02044 -0.07748 -0.02667 125 3PY -0.01334 -0.04666 -0.00625 -0.00017 -0.03345 126 3PZ 0.07487 0.04860 0.00860 0.02221 -0.01158 127 4XX 0.00712 -0.00228 -0.00090 0.00202 0.00362 128 4YY -0.00326 0.00515 0.00092 0.00265 -0.00405 129 4ZZ 0.00192 -0.00082 0.00064 -0.00728 0.00243 130 4XY -0.00255 -0.00442 -0.00327 -0.00048 -0.00141 131 4XZ 0.00526 -0.00225 0.00018 -0.00180 0.00441 132 4YZ -0.00160 -0.00322 -0.00208 0.00298 -0.00127 133 15 C 1S 0.01320 -0.00504 0.00232 -0.00904 0.00166 134 2S -0.03044 0.00954 -0.00452 0.02019 -0.00632 135 2PX 0.08361 -0.07321 -0.03824 -0.15453 -0.02468 136 2PY 0.12390 -0.00886 -0.00571 -0.04585 0.13192 137 2PZ 0.18158 -0.06797 -0.02983 0.02593 0.00739 138 3S -0.05608 0.07909 -0.00457 0.04232 0.01113 139 3PX 0.02324 -0.05306 -0.01948 -0.07775 -0.02670 140 3PY 0.01334 -0.04669 -0.00627 0.00007 0.03343 141 3PZ 0.07487 -0.04860 -0.00887 0.02206 -0.01161 142 4XX 0.00712 0.00228 0.00088 0.00203 0.00362 143 4YY -0.00326 -0.00515 -0.00095 0.00264 -0.00405 144 4ZZ 0.00192 0.00082 -0.00055 -0.00729 0.00243 145 4XY 0.00255 -0.00442 -0.00328 0.00044 0.00141 146 4XZ 0.00526 0.00225 -0.00016 -0.00181 0.00442 147 4YZ 0.00160 -0.00322 -0.00205 -0.00301 0.00127 148 16 C 1S 0.00505 0.00550 -0.00362 0.00282 0.00758 149 2S -0.01135 -0.01413 0.00641 -0.00533 -0.01788 150 2PX -0.13944 -0.05785 -0.02246 -0.09710 -0.03646 151 2PY -0.00886 -0.25214 -0.05102 0.04516 -0.13733 152 2PZ -0.00557 0.03633 0.04259 0.17534 0.04404 153 3S -0.01388 -0.00215 0.02873 -0.01006 -0.01442 154 3PX -0.02282 -0.00883 -0.01045 -0.07749 -0.00915 155 3PY 0.01549 0.01114 -0.00809 0.02389 0.01814 156 3PZ 0.04182 0.01015 0.01847 0.07311 0.01600 157 4XX 0.00138 0.00570 0.00055 -0.00283 0.00532 158 4YY 0.00071 -0.00023 0.00090 0.00189 -0.00689 159 4ZZ -0.00052 0.00497 0.00037 0.00207 0.00745 160 4XY 0.00632 -0.00128 -0.00192 -0.00691 -0.00233 161 4XZ -0.00020 0.00116 0.00006 0.00113 0.00444 162 4YZ 0.00742 0.00083 0.00118 0.00077 0.00179 163 17 C 1S -0.01831 -0.00503 0.00586 -0.00389 0.00212 164 2S 0.03788 0.00822 -0.00714 0.00568 -0.00737 165 2PX 0.06688 0.06523 0.01063 -0.12044 0.02022 166 2PY -0.11798 -0.01075 -0.00702 0.06460 0.11764 167 2PZ 0.20375 0.10310 0.02576 -0.05478 -0.01358 168 3S 0.08491 0.08068 -0.04272 0.00202 0.00661 169 3PX 0.03034 0.04277 -0.00277 -0.06064 0.02328 170 3PY -0.01785 -0.04198 0.01106 0.01515 0.03417 171 3PZ 0.09102 0.07073 0.00266 -0.01673 0.01115 172 4XX -0.00369 0.00211 0.00087 -0.00780 0.00021 173 4YY 0.00367 -0.00475 0.00041 -0.00054 -0.00432 174 4ZZ -0.00673 0.00003 0.00019 0.00937 0.00494 175 4XY 0.00186 0.00249 -0.00102 -0.00025 -0.00286 176 4XZ -0.00283 0.00230 0.00112 0.00194 0.00453 177 4YZ 0.00217 0.00635 0.00252 -0.00075 -0.00061 178 18 H 1S -0.12808 0.06460 0.01841 0.07657 0.04427 179 2S -0.10481 0.03584 0.01283 0.05925 0.05673 180 19 H 1S 0.12245 0.04992 0.03239 -0.05210 0.04084 181 2S 0.10647 0.02007 0.02311 -0.04956 0.05192 182 20 H 1S 0.12244 -0.04992 -0.03177 -0.05254 0.04083 183 2S 0.10647 -0.02008 -0.02253 -0.04988 0.05193 184 21 H 1S -0.12806 -0.06467 -0.01935 0.07634 0.04425 185 2S -0.10480 -0.03590 -0.01357 0.05909 0.05673 186 22 O 1S -0.00814 -0.05256 -0.00805 0.00208 -0.02519 187 2S 0.01800 0.11243 0.01589 -0.00402 0.05123 188 2PX -0.06416 0.02231 -0.01950 -0.12613 0.00488 189 2PY 0.05175 0.32230 0.06563 0.01776 0.20586 190 2PZ 0.02942 -0.01445 0.03016 0.15076 0.01216 191 3S 0.02761 0.20119 0.03512 -0.01084 0.09905 192 3PX -0.03848 0.01155 -0.01459 -0.07378 0.00185 193 3PY 0.02906 0.17982 0.03814 0.01193 0.11706 194 3PZ 0.01416 -0.00784 0.01954 0.09032 0.00758 195 4XX 0.00176 0.00143 0.00071 0.00187 0.00106 196 4YY -0.00451 -0.02105 -0.00522 -0.00297 -0.01299 197 4ZZ 0.00047 0.00130 0.00028 0.00211 0.00112 198 4XY 0.00592 -0.00216 0.00098 0.00802 -0.00072 199 4XZ -0.00088 -0.00082 -0.00081 -0.00233 0.00025 200 4YZ -0.00082 0.00152 -0.00206 -0.01104 -0.00072 201 23 O 1S -0.00814 0.05256 0.00804 0.00220 -0.02517 202 2S 0.01800 -0.11244 -0.01586 -0.00425 0.05119 203 2PX -0.06418 -0.02231 0.02103 -0.12600 0.00486 204 2PY -0.05177 0.32238 0.06595 -0.01686 -0.20574 205 2PZ 0.02943 0.01442 -0.03199 0.15047 0.01218 206 3S 0.02761 -0.20121 -0.03503 -0.01134 0.09899 207 3PX -0.03849 -0.01155 0.01549 -0.07366 0.00184 208 3PY -0.02907 0.17987 0.03834 -0.01141 -0.11699 209 3PZ 0.01417 0.00782 -0.02064 0.09013 0.00759 210 4XX 0.00176 -0.00143 -0.00074 0.00186 0.00106 211 4YY -0.00451 0.02105 0.00526 -0.00291 -0.01298 212 4ZZ 0.00047 -0.00130 -0.00030 0.00211 0.00112 213 4XY -0.00593 -0.00216 0.00108 -0.00801 0.00072 214 4XZ -0.00088 0.00082 0.00084 -0.00232 0.00025 215 4YZ 0.00082 0.00152 -0.00220 0.01102 0.00072 36 37 38 39 40 O O O O O Eigenvalues -- -0.39571 -0.39320 -0.39081 -0.37877 -0.37211 1 1 C 1S -0.00242 -0.00001 -0.01939 0.00000 0.00000 2 2S 0.01141 0.00001 0.04029 0.00000 0.00000 3 2PX 0.12518 0.00006 0.11953 -0.00002 -0.00005 4 2PY 0.00005 0.14685 -0.00005 -0.11673 0.32394 5 2PZ 0.28988 0.00001 0.08609 -0.00002 -0.00002 6 3S 0.00723 0.00003 0.11032 -0.00002 -0.00001 7 3PX 0.05734 0.00004 0.06977 -0.00001 -0.00003 8 3PY 0.00002 0.06491 -0.00002 -0.06157 0.17532 9 3PZ 0.12520 0.00001 0.05577 -0.00001 -0.00001 10 4XX -0.00084 0.00000 -0.00241 0.00000 0.00000 11 4YY 0.01604 0.00000 0.00031 0.00000 0.00000 12 4ZZ -0.02091 0.00000 -0.00160 0.00000 0.00000 13 4XY 0.00000 0.00267 0.00000 -0.00579 0.00774 14 4XZ 0.00068 0.00000 0.00535 0.00000 0.00000 15 4YZ 0.00001 0.00389 0.00000 -0.00257 0.00947 16 2 H 1S -0.02863 -0.00004 -0.04528 0.00001 0.00000 17 2S -0.02437 -0.00004 -0.04784 0.00001 0.00000 18 3 H 1S -0.19428 0.00001 -0.02997 0.00001 0.00003 19 2S -0.17439 0.00000 -0.02772 0.00000 0.00003 20 4 C 1S -0.00990 0.00147 -0.00243 -0.00167 0.00041 21 2S 0.01772 0.00409 0.01283 -0.00076 0.00423 22 2PX -0.11937 -0.08408 0.00814 -0.00477 -0.12695 23 2PY -0.01251 -0.06566 -0.12591 0.11295 -0.17510 24 2PZ -0.22802 -0.06401 0.01605 0.05662 -0.15616 25 3S 0.05302 -0.03098 -0.02775 0.03267 -0.03754 26 3PX -0.04761 -0.05798 0.01417 -0.00763 -0.05368 27 3PY -0.00842 -0.01355 -0.01451 0.02063 -0.04646 28 3PZ -0.07682 -0.04229 0.00519 0.04265 -0.06175 29 4XX 0.00018 0.00030 -0.00025 -0.00400 0.00530 30 4YY 0.01290 -0.00165 -0.00387 0.00617 -0.00725 31 4ZZ -0.01279 0.00219 0.00229 -0.00206 0.00050 32 4XY 0.00411 0.00291 0.00486 -0.00334 0.00693 33 4XZ -0.00420 0.00112 -0.00001 -0.00027 0.00383 34 4YZ 0.00203 0.00386 0.00837 -0.00359 0.00810 35 5 H 1S 0.05786 -0.02726 -0.08234 0.06833 -0.08356 36 2S 0.05095 -0.03674 -0.08023 0.06584 -0.07962 37 6 C 1S 0.01548 -0.01051 0.01082 0.00457 -0.00792 38 2S -0.03471 0.01893 -0.02744 -0.00541 0.00793 39 2PX 0.01149 -0.00168 0.02107 -0.02036 0.02206 40 2PY -0.15125 0.01201 0.20600 0.00500 -0.00131 41 2PZ 0.20466 0.07663 0.02548 -0.01877 0.12812 42 3S -0.05544 0.07398 -0.02122 -0.06148 0.09178 43 3PX 0.00131 -0.01218 0.00367 -0.00506 -0.00140 44 3PY -0.06689 -0.00662 0.06568 0.01954 -0.04499 45 3PZ 0.08687 0.01483 -0.00325 0.02191 0.01835 46 4XX 0.00278 -0.00056 0.00100 0.00005 0.00046 47 4YY 0.00329 -0.00027 -0.00627 0.00258 -0.00191 48 4ZZ -0.00235 0.00145 0.01064 -0.00232 0.00235 49 4XY 0.00173 0.00060 0.00222 -0.00230 0.00308 50 4XZ 0.00249 0.00357 0.00452 -0.00034 0.00442 51 4YZ 0.00086 0.00746 0.00547 -0.00363 0.01342 52 7 H 1S 0.02881 0.05921 0.08970 -0.02164 0.09116 53 2S 0.03410 0.04917 0.09378 -0.03471 0.10371 54 8 C 1S -0.00989 -0.00148 -0.00244 0.00167 -0.00041 55 2S 0.01769 -0.00406 0.01286 0.00076 -0.00424 56 2PX -0.11936 0.08407 0.00812 0.00477 0.12701 57 2PY 0.01236 -0.06560 0.12605 0.11292 -0.17510 58 2PZ -0.22805 0.06398 0.01607 -0.05661 0.15621 59 3S 0.05297 0.03099 -0.02773 -0.03265 0.03753 60 3PX -0.04761 0.05798 0.01415 0.00763 0.05371 61 3PY 0.00836 -0.01354 0.01455 0.02063 -0.04646 62 3PZ -0.07683 0.04229 0.00518 -0.04265 0.06176 63 4XX 0.00018 -0.00030 -0.00025 0.00401 -0.00530 64 4YY 0.01291 0.00165 -0.00388 -0.00617 0.00724 65 4ZZ -0.01280 -0.00219 0.00230 0.00206 -0.00050 66 4XY -0.00410 0.00291 -0.00486 -0.00334 0.00693 67 4XZ -0.00420 -0.00112 -0.00001 0.00027 -0.00383 68 4YZ -0.00203 0.00386 -0.00837 -0.00358 0.00810 69 9 H 1S 0.05794 0.02723 -0.08241 -0.06832 0.08354 70 2S 0.05103 0.03671 -0.08031 -0.06583 0.07960 71 10 C 1S 0.01549 0.01051 0.01080 -0.00457 0.00792 72 2S -0.03473 -0.01894 -0.02741 0.00542 -0.00792 73 2PX 0.01149 0.00167 0.02109 0.02036 -0.02205 74 2PY 0.15123 0.01193 -0.20600 0.00505 -0.00136 75 2PZ 0.20474 -0.07658 0.02542 0.01876 -0.12817 76 3S -0.05548 -0.07399 -0.02117 0.06149 -0.09176 77 3PX 0.00130 0.01217 0.00367 0.00505 0.00141 78 3PY 0.06687 -0.00665 -0.06567 0.01956 -0.04501 79 3PZ 0.08689 -0.01481 -0.00327 -0.02191 -0.01838 80 4XX 0.00278 0.00056 0.00100 -0.00005 -0.00046 81 4YY 0.00329 0.00027 -0.00627 -0.00258 0.00190 82 4ZZ -0.00236 -0.00144 0.01064 0.00231 -0.00235 83 4XY -0.00173 0.00060 -0.00222 -0.00230 0.00308 84 4XZ 0.00249 -0.00357 0.00453 0.00034 -0.00442 85 4YZ -0.00086 0.00746 -0.00547 -0.00363 0.01342 86 11 H 1S 0.02884 -0.05916 0.08969 0.02162 -0.09116 87 2S 0.03413 -0.04912 0.09376 0.03468 -0.10371 88 12 C 1S -0.00226 0.00775 0.00842 -0.01391 -0.00832 89 2S 0.00412 -0.01033 -0.02375 0.02398 0.01425 90 2PX -0.02047 0.00130 0.02764 -0.11535 -0.05766 91 2PY -0.01504 -0.00339 -0.18663 -0.00896 -0.00652 92 2PZ 0.01843 0.09539 -0.03212 -0.07257 -0.09349 93 3S 0.02011 -0.07139 -0.00352 0.06149 0.03828 94 3PX -0.01014 -0.00004 0.02697 -0.08326 -0.01561 95 3PY -0.01576 -0.05493 -0.05129 0.04239 0.01528 96 3PZ 0.00962 0.03340 0.00328 -0.03858 -0.02855 97 4XX 0.00060 -0.00356 0.00499 -0.00410 -0.00247 98 4YY 0.00023 0.00330 -0.00759 -0.00182 -0.00126 99 4ZZ -0.00016 0.00066 0.00559 0.00679 0.00345 100 4XY -0.00011 -0.00073 0.00080 0.00938 0.00567 101 4XZ 0.00060 -0.00212 0.00385 0.00081 0.00068 102 4YZ 0.00049 -0.00989 0.00179 0.00615 0.00785 103 13 C 1S -0.00075 0.00397 0.00438 0.00167 0.00440 104 2S 0.00429 -0.01101 -0.01076 -0.00596 -0.01105 105 2PX -0.03352 -0.21532 -0.00723 -0.00225 0.11826 106 2PY 0.00743 -0.08012 0.16723 -0.03491 -0.00408 107 2PZ 0.03313 0.05067 -0.01061 0.23105 0.06103 108 3S -0.01371 -0.00463 0.00431 0.01634 -0.01714 109 3PX -0.01043 -0.09153 0.01290 -0.04353 0.03978 110 3PY -0.00074 -0.01096 -0.02483 0.00306 -0.00475 111 3PZ 0.01893 0.06148 -0.01606 0.08393 0.01293 112 4XX -0.00012 -0.00218 0.00728 -0.00139 0.00152 113 4YY 0.00015 0.00325 -0.01007 0.00281 -0.00139 114 4ZZ 0.00084 -0.00244 0.00909 -0.00126 -0.00001 115 4XY 0.00122 0.00748 0.00194 0.00417 -0.00238 116 4XZ 0.00104 0.00063 0.00476 0.00170 -0.00015 117 4YZ -0.00075 -0.00585 0.00068 -0.00868 -0.00019 118 14 C 1S -0.00070 -0.00636 0.00179 0.01374 0.00669 119 2S 0.00085 0.01228 -0.00824 -0.02263 -0.01123 120 2PX -0.03008 0.04545 0.00186 -0.10655 -0.04518 121 2PY -0.01055 -0.01025 -0.13884 0.00796 0.00294 122 2PZ 0.01565 0.11972 -0.02171 -0.06959 -0.07233 123 3S 0.00315 0.00892 0.01606 -0.10478 -0.04157 124 3PX -0.01893 0.01752 -0.01583 -0.04579 -0.01405 125 3PY -0.00261 0.01283 -0.03420 -0.06428 -0.02748 126 3PZ 0.00872 0.06598 -0.02805 -0.01917 -0.03725 127 4XX 0.00092 0.00392 0.00263 0.00126 -0.00211 128 4YY -0.00020 0.00086 -0.00520 0.00280 0.00137 129 4ZZ -0.00102 -0.00336 0.00433 -0.00437 -0.00019 130 4XY -0.00034 -0.00324 -0.00092 0.01101 0.00432 131 4XZ 0.00051 0.00200 0.00435 -0.00299 -0.00226 132 4YZ 0.00045 -0.01095 -0.00222 0.00702 0.00713 133 15 C 1S -0.00071 0.00636 0.00178 -0.01373 -0.00669 134 2S 0.00086 -0.01228 -0.00822 0.02263 0.01123 135 2PX -0.03003 -0.04537 0.00187 0.10659 0.04518 136 2PY 0.01055 -0.01020 0.13885 0.00793 0.00291 137 2PZ 0.01569 -0.11979 -0.02165 0.06958 0.07233 138 3S 0.00318 -0.00892 0.01613 0.10476 0.04156 139 3PX -0.01891 -0.01748 -0.01583 0.04583 0.01406 140 3PY 0.00259 0.01284 0.03416 -0.06429 -0.02749 141 3PZ 0.00873 -0.06602 -0.02803 0.01917 0.03725 142 4XX 0.00092 -0.00392 0.00263 -0.00127 0.00211 143 4YY -0.00020 -0.00087 -0.00520 -0.00280 -0.00136 144 4ZZ -0.00102 0.00337 0.00433 0.00437 0.00019 145 4XY 0.00035 -0.00325 0.00092 0.01100 0.00432 146 4XZ 0.00051 -0.00200 0.00435 0.00299 0.00226 147 4YZ -0.00045 -0.01095 0.00223 0.00702 0.00713 148 16 C 1S -0.00075 -0.00397 0.00439 -0.00167 -0.00440 149 2S 0.00429 0.01100 -0.01078 0.00596 0.01105 150 2PX -0.03354 0.21542 -0.00733 0.00229 -0.11824 151 2PY -0.00741 -0.08017 -0.16727 -0.03488 -0.00406 152 2PZ 0.03307 -0.05074 -0.01062 -0.23109 -0.06103 153 3S -0.01374 0.00463 0.00428 -0.01634 0.01713 154 3PX -0.01043 0.09159 0.01287 0.04355 -0.03977 155 3PY 0.00075 -0.01095 0.02485 0.00306 -0.00475 156 3PZ 0.01891 -0.06152 -0.01604 -0.08393 -0.01293 157 4XX -0.00012 0.00218 0.00728 0.00139 -0.00152 158 4YY 0.00015 -0.00325 -0.01007 -0.00281 0.00139 159 4ZZ 0.00084 0.00244 0.00909 0.00126 0.00001 160 4XY -0.00122 0.00748 -0.00194 0.00417 -0.00238 161 4XZ 0.00103 -0.00063 0.00476 -0.00170 0.00014 162 4YZ 0.00075 -0.00585 -0.00068 -0.00868 -0.00019 163 17 C 1S -0.00226 -0.00775 0.00843 0.01390 0.00832 164 2S 0.00411 0.01032 -0.02376 -0.02397 -0.01425 165 2PX -0.02045 -0.00124 0.02768 0.11537 0.05765 166 2PY 0.01504 -0.00336 0.18663 -0.00899 -0.00654 167 2PZ 0.01844 -0.09541 -0.03204 0.07258 0.09350 168 3S 0.02014 0.07138 -0.00354 -0.06147 -0.03827 169 3PX -0.01013 0.00008 0.02701 0.08326 0.01560 170 3PY 0.01575 -0.05493 0.05132 0.04239 0.01528 171 3PZ 0.00964 -0.03341 0.00333 0.03858 0.02855 172 4XX 0.00060 0.00357 0.00498 0.00410 0.00246 173 4YY 0.00023 -0.00330 -0.00759 0.00182 0.00127 174 4ZZ -0.00016 -0.00066 0.00559 -0.00679 -0.00345 175 4XY 0.00011 -0.00073 -0.00080 0.00938 0.00567 176 4XZ 0.00060 0.00212 0.00385 -0.00081 -0.00068 177 4YZ -0.00049 -0.00989 -0.00178 0.00615 0.00786 178 18 H 1S 0.00040 -0.06185 0.06255 0.08905 0.07928 179 2S -0.00536 -0.06355 0.06880 0.07030 0.07274 180 19 H 1S -0.00024 0.08197 0.04221 -0.09575 -0.06209 181 2S 0.00203 0.06768 0.05613 -0.08877 -0.05709 182 20 H 1S -0.00019 -0.08195 0.04226 0.09574 0.06208 183 2S 0.00207 -0.06766 0.05618 0.08876 0.05708 184 21 H 1S 0.00039 0.06185 0.06249 -0.08907 -0.07929 185 2S -0.00537 0.06356 0.06876 -0.07033 -0.07275 186 22 O 1S -0.00203 -0.00663 -0.02533 -0.00062 -0.00139 187 2S 0.00258 0.01496 0.05338 0.00194 0.00275 188 2PX -0.03247 0.23302 0.04634 0.03919 -0.11315 189 2PY 0.02267 0.00847 0.21962 -0.01628 0.01579 190 2PZ 0.02975 -0.09300 -0.05106 -0.25261 -0.05105 191 3S 0.01522 0.02166 0.08783 -0.00291 0.00800 192 3PX -0.02172 0.14509 0.02745 0.02481 -0.07077 193 3PY 0.01056 0.00295 0.12964 -0.01007 0.00821 194 3PZ 0.01784 -0.05690 -0.03064 -0.15987 -0.03096 195 4XX 0.00004 -0.00355 0.00128 -0.00004 0.00130 196 4YY -0.00222 0.00226 -0.01215 0.00290 -0.00153 197 4ZZ -0.00017 -0.00038 0.00172 -0.00251 -0.00060 198 4XY 0.00234 -0.01585 -0.00332 -0.00233 0.00767 199 4XZ -0.00039 0.00231 0.00110 0.00263 -0.00023 200 4YZ -0.00204 0.00586 0.00348 0.01689 0.00347 201 23 O 1S -0.00204 0.00661 -0.02531 0.00063 0.00139 202 2S 0.00258 -0.01493 0.05335 -0.00195 -0.00276 203 2PX -0.03246 -0.23293 0.04647 -0.03916 0.11316 204 2PY -0.02269 0.00838 -0.21953 -0.01622 0.01584 205 2PZ 0.02980 0.09293 -0.05106 0.25262 0.05106 206 3S 0.01524 -0.02162 0.08778 0.00290 -0.00802 207 3PX -0.02172 -0.14504 0.02753 -0.02478 0.07078 208 3PY -0.01058 0.00290 -0.12958 -0.01003 0.00824 209 3PZ 0.01788 0.05686 -0.03065 0.15988 0.03097 210 4XX 0.00004 0.00355 0.00128 0.00004 -0.00130 211 4YY -0.00222 -0.00227 -0.01214 -0.00290 0.00153 212 4ZZ -0.00017 0.00038 0.00172 0.00251 0.00060 213 4XY -0.00234 -0.01585 0.00332 -0.00232 0.00767 214 4XZ -0.00039 -0.00231 0.00110 -0.00264 0.00023 215 4YZ 0.00205 0.00586 -0.00348 0.01689 0.00347 41 42 43 44 45 O O O O O Eigenvalues -- -0.32853 -0.28686 -0.25805 -0.25401 -0.25143 1 1 C 1S 0.00400 0.00242 0.00006 -0.01678 0.01211 2 2S 0.00125 -0.01045 -0.00016 0.04645 -0.02762 3 2PX -0.17485 -0.03307 -0.00017 0.05323 -0.02972 4 2PY -0.00001 0.00000 -0.00136 -0.00001 0.00000 5 2PZ 0.11316 0.00659 -0.00010 0.01737 -0.02639 6 3S -0.07654 0.00941 -0.00020 0.04228 -0.05209 7 3PX -0.11277 -0.01234 0.00004 -0.01280 0.00527 8 3PY 0.00000 0.00000 0.01432 0.00002 -0.00002 9 3PZ 0.00260 0.01687 0.00004 -0.01565 0.00433 10 4XX 0.02233 0.00393 0.00002 -0.00504 0.00267 11 4YY -0.00295 -0.00205 -0.00002 0.00432 -0.00267 12 4ZZ -0.01702 -0.00245 0.00001 -0.00001 0.00235 13 4XY 0.00000 0.00000 -0.01160 -0.00002 0.00002 14 4XZ -0.00517 -0.00129 -0.00002 0.00435 -0.00240 15 4YZ 0.00000 0.00000 0.00718 0.00001 -0.00001 16 2 H 1S 0.15834 0.02746 0.00007 -0.02924 0.01134 17 2S 0.15903 0.03691 0.00022 -0.07557 0.04151 18 3 H 1S -0.10715 -0.01270 0.00002 0.00294 0.00812 19 2S -0.13431 -0.00786 0.00012 -0.01918 0.03184 20 4 C 1S -0.00126 0.00429 0.01459 -0.01221 0.00823 21 2S -0.00750 -0.01361 -0.03070 0.02541 -0.01868 22 2PX 0.13541 0.03089 -0.21979 -0.00997 0.00872 23 2PY 0.01294 -0.00353 0.04131 -0.01479 0.00793 24 2PZ -0.06182 -0.00576 0.13104 -0.02184 0.01060 25 3S 0.06665 -0.00903 -0.04845 0.06973 -0.02975 26 3PX 0.07228 0.04167 -0.15281 -0.00182 -0.00690 27 3PY -0.04076 0.00041 -0.01025 -0.01747 0.02176 28 3PZ -0.03337 -0.00461 0.11912 -0.01177 -0.00428 29 4XX 0.00926 0.00237 -0.00500 -0.00425 0.00374 30 4YY 0.00041 -0.00224 0.00219 0.00504 -0.00446 31 4ZZ -0.00841 -0.00031 0.00346 -0.00528 0.00440 32 4XY -0.00317 -0.00017 0.00056 0.00011 0.00077 33 4XZ 0.00640 -0.00217 -0.00337 0.01054 -0.00943 34 4YZ -0.00090 0.00005 -0.00219 0.00018 0.00002 35 5 H 1S 0.00615 -0.01256 0.02135 0.01644 -0.01650 36 2S 0.01263 -0.00086 0.06656 0.01077 -0.04458 37 6 C 1S 0.00615 -0.00205 -0.00457 0.00182 -0.00127 38 2S -0.01293 0.01097 0.01855 0.00174 -0.00376 39 2PX 0.24949 -0.01697 -0.13611 0.17043 -0.16131 40 2PY -0.03660 -0.00216 0.01405 -0.01398 0.01295 41 2PZ -0.04328 0.01911 0.00452 -0.04942 0.05113 42 3S -0.03071 -0.00261 -0.07111 -0.03253 0.03267 43 3PX 0.15943 -0.02911 -0.08907 0.12398 -0.11842 44 3PY -0.01235 0.00604 0.04365 -0.01003 0.00728 45 3PZ -0.01903 0.01694 0.05356 -0.03270 0.02800 46 4XX -0.00159 -0.00134 0.00360 -0.00060 0.00022 47 4YY 0.00021 0.00120 0.00050 0.00103 -0.00120 48 4ZZ 0.00183 0.00169 -0.00513 0.00174 -0.00101 49 4XY -0.00806 0.00134 -0.00880 -0.00644 0.00634 50 4XZ -0.00691 -0.00099 0.00689 0.00121 -0.00118 51 4YZ 0.00217 -0.00013 -0.00076 0.00297 -0.00272 52 7 H 1S 0.00337 0.00803 -0.01986 0.00568 -0.00376 53 2S -0.01130 -0.00376 -0.03735 0.01303 -0.00639 54 8 C 1S -0.00126 0.00429 -0.01452 -0.01227 0.00828 55 2S -0.00750 -0.01360 0.03054 0.02552 -0.01878 56 2PX 0.13546 0.03096 0.21982 -0.00923 0.00800 57 2PY -0.01295 0.00354 0.04124 0.01491 -0.00805 58 2PZ -0.06187 -0.00581 -0.13089 -0.02231 0.01104 59 3S 0.06664 -0.00901 0.04807 0.06992 -0.02994 60 3PX 0.07230 0.04172 0.15275 -0.00131 -0.00741 61 3PY 0.04076 -0.00040 -0.01040 0.01740 -0.02170 62 3PZ -0.03340 -0.00464 -0.11908 -0.01221 -0.00387 63 4XX 0.00926 0.00237 0.00503 -0.00423 0.00372 64 4YY 0.00042 -0.00224 -0.00223 0.00503 -0.00446 65 4ZZ -0.00841 -0.00031 -0.00341 -0.00530 0.00441 66 4XY 0.00317 0.00017 0.00055 -0.00011 -0.00077 67 4XZ 0.00640 -0.00217 0.00328 0.01055 -0.00944 68 4YZ 0.00090 -0.00005 -0.00219 -0.00019 -0.00002 69 9 H 1S 0.00616 -0.01257 -0.02149 0.01639 -0.01644 70 2S 0.01265 -0.00088 -0.06679 0.01051 -0.04434 71 10 C 1S 0.00616 -0.00205 0.00456 0.00184 -0.00129 72 2S -0.01294 0.01097 -0.01858 0.00166 -0.00369 73 2PX 0.24952 -0.01693 0.13464 0.17091 -0.16177 74 2PY 0.03665 0.00216 0.01398 0.01407 -0.01304 75 2PZ -0.04323 0.01911 -0.00407 -0.04941 0.05113 76 3S -0.03070 -0.00261 0.07138 -0.03226 0.03241 77 3PX 0.15944 -0.02909 0.08801 0.12430 -0.11872 78 3PY 0.01239 -0.00604 0.04360 0.01024 -0.00747 79 3PZ -0.01903 0.01693 -0.05328 -0.03290 0.02819 80 4XX -0.00160 -0.00134 -0.00359 -0.00062 0.00024 81 4YY 0.00022 0.00120 -0.00051 0.00103 -0.00120 82 4ZZ 0.00183 0.00169 0.00512 0.00176 -0.00102 83 4XY 0.00806 -0.00134 -0.00886 0.00641 -0.00631 84 4XZ -0.00691 -0.00099 -0.00689 0.00119 -0.00115 85 4YZ -0.00217 0.00013 -0.00074 -0.00297 0.00272 86 11 H 1S 0.00339 0.00804 0.01980 0.00576 -0.00383 87 2S -0.01128 -0.00375 0.03725 0.01318 -0.00653 88 12 C 1S 0.00113 -0.00537 -0.01720 0.00131 -0.02253 89 2S -0.00992 0.01227 0.02637 0.00003 0.04216 90 2PX -0.10175 -0.05807 -0.04435 0.23221 -0.08952 91 2PY -0.04677 -0.02909 -0.00956 -0.03789 -0.14409 92 2PZ 0.04385 0.05573 0.15213 -0.09907 0.15388 93 3S 0.01626 0.02818 0.16258 0.00904 0.14761 94 3PX -0.05402 -0.03558 -0.05170 0.17304 -0.07522 95 3PY -0.01599 -0.02077 0.04300 -0.00254 -0.08786 96 3PZ 0.04910 0.02253 0.10565 -0.08198 0.11475 97 4XX 0.00109 0.00052 0.00381 0.00281 -0.00059 98 4YY -0.00247 0.00055 -0.00283 -0.00267 -0.00338 99 4ZZ 0.00189 -0.00099 -0.00216 0.00104 0.00101 100 4XY -0.00247 -0.00086 0.00238 0.00867 -0.00495 101 4XZ -0.00395 0.00001 -0.00605 -0.00097 0.00267 102 4YZ 0.00351 0.00022 -0.01035 -0.00398 0.00480 103 13 C 1S 0.00648 -0.00003 0.00634 0.00087 -0.00235 104 2S -0.01639 -0.00175 -0.01938 -0.00752 0.01076 105 2PX 0.07313 -0.03288 -0.02601 -0.02511 -0.03914 106 2PY -0.00030 -0.00035 -0.02089 -0.00759 0.00756 107 2PZ -0.04253 0.02608 -0.04502 -0.03726 -0.02626 108 3S -0.01134 0.00566 -0.00216 0.01514 -0.01397 109 3PX 0.03878 -0.02217 0.00570 0.01910 0.03656 110 3PY -0.03021 0.00074 -0.01798 -0.00293 0.00553 111 3PZ -0.03373 0.02794 -0.00879 0.02834 0.03234 112 4XX 0.00750 0.00943 0.00886 -0.00503 0.01009 113 4YY -0.00395 0.00173 -0.00281 0.00344 -0.00449 114 4ZZ -0.00211 -0.01147 -0.00643 0.00063 -0.00497 115 4XY -0.00654 0.01267 -0.01944 -0.00743 -0.02250 116 4XZ -0.00269 0.00422 -0.00352 0.00018 0.00076 117 4YZ 0.00763 -0.01236 -0.00586 -0.02381 -0.00851 118 14 C 1S 0.00033 0.00098 0.02013 0.01402 0.01022 119 2S -0.00655 0.00037 -0.04409 -0.03372 -0.01601 120 2PX 0.03925 0.26635 0.05713 0.04237 0.01795 121 2PY 0.00007 0.01751 0.02531 0.09597 0.10389 122 2PZ -0.04157 -0.22978 0.06369 0.05891 0.06334 123 3S 0.01948 -0.01747 -0.12873 -0.08676 -0.08521 124 3PX 0.01400 0.18707 0.03315 0.02343 0.01672 125 3PY 0.00065 0.01121 -0.01981 0.04881 0.04492 126 3PZ -0.02657 -0.16203 0.02697 0.03572 0.04413 127 4XX -0.00056 -0.00099 0.00116 -0.00169 0.00001 128 4YY -0.00105 0.00068 0.00164 0.00160 0.00346 129 4ZZ 0.00038 0.00045 -0.00015 -0.00065 -0.00218 130 4XY 0.00013 0.01231 -0.00467 0.00099 -0.00033 131 4XZ -0.00164 -0.00031 -0.00086 -0.00194 -0.00070 132 4YZ -0.00003 -0.01062 -0.00393 0.00094 0.00342 133 15 C 1S 0.00033 0.00098 -0.02015 0.01389 0.01032 134 2S -0.00654 0.00038 0.04418 -0.03345 -0.01624 135 2PX 0.03924 0.26634 -0.05733 0.04202 0.01826 136 2PY -0.00007 -0.01748 0.02533 -0.09580 -0.10402 137 2PZ -0.04158 -0.22978 -0.06363 0.05850 0.06367 138 3S 0.01947 -0.01742 0.12878 -0.08589 -0.08595 139 3PX 0.01400 0.18704 -0.03324 0.02322 0.01689 140 3PY -0.00063 -0.01120 -0.01977 -0.04894 -0.04480 141 3PZ -0.02657 -0.16204 -0.02691 0.03555 0.04427 142 4XX -0.00056 -0.00099 -0.00115 -0.00170 0.00001 143 4YY -0.00105 0.00067 -0.00163 0.00159 0.00346 144 4ZZ 0.00038 0.00045 0.00014 -0.00065 -0.00218 145 4XY -0.00013 -0.01231 -0.00466 -0.00101 0.00036 146 4XZ -0.00164 -0.00031 0.00086 -0.00194 -0.00070 147 4YZ 0.00003 0.01062 -0.00394 -0.00096 -0.00340 148 16 C 1S 0.00648 -0.00003 -0.00635 0.00085 -0.00233 149 2S -0.01639 -0.00174 0.01946 -0.00745 0.01069 150 2PX 0.07313 -0.03290 0.02599 -0.02486 -0.03932 151 2PY 0.00030 0.00034 -0.02095 0.00751 -0.00749 152 2PZ -0.04252 0.02610 0.04507 -0.03695 -0.02649 153 3S -0.01132 0.00562 0.00203 0.01516 -0.01399 154 3PX 0.03877 -0.02218 -0.00563 0.01908 0.03657 155 3PY 0.03020 -0.00071 -0.01803 0.00285 -0.00546 156 3PZ -0.03372 0.02795 0.00878 0.02838 0.03232 157 4XX 0.00749 0.00943 -0.00880 -0.00508 0.01012 158 4YY -0.00395 0.00173 0.00278 0.00346 -0.00450 159 4ZZ -0.00210 -0.01147 0.00641 0.00066 -0.00499 160 4XY 0.00654 -0.01267 -0.01938 0.00732 0.02260 161 4XZ -0.00269 0.00422 0.00352 0.00019 0.00075 162 4YZ -0.00763 0.01236 -0.00593 0.02375 0.00856 163 17 C 1S 0.00113 -0.00537 0.01711 0.00142 -0.02261 164 2S -0.00993 0.01226 -0.02620 -0.00015 0.04231 165 2PX -0.10173 -0.05806 0.04300 0.23222 -0.08960 166 2PY 0.04677 0.02910 -0.00917 0.03779 0.14417 167 2PZ 0.04379 0.05569 -0.15109 -0.09982 0.15451 168 3S 0.01624 0.02821 -0.16205 0.00807 0.14840 169 3PX -0.05401 -0.03555 0.05067 0.17314 -0.07537 170 3PY 0.01599 0.02075 0.04332 0.00277 0.08766 171 3PZ 0.04905 0.02254 -0.10486 -0.08248 0.11517 172 4XX 0.00109 0.00051 -0.00382 0.00279 -0.00058 173 4YY -0.00247 0.00055 0.00283 -0.00265 -0.00339 174 4ZZ 0.00189 -0.00099 0.00215 0.00105 0.00100 175 4XY 0.00247 0.00086 0.00244 -0.00867 0.00494 176 4XZ -0.00395 0.00002 0.00607 -0.00095 0.00265 177 4YZ -0.00351 -0.00022 -0.01038 0.00393 -0.00475 178 18 H 1S 0.01024 -0.00262 -0.07387 0.01128 0.01221 179 2S 0.01314 -0.01984 -0.09738 -0.00452 -0.01368 180 19 H 1S -0.00492 -0.00160 0.03071 -0.01143 -0.01686 181 2S -0.00482 0.00128 0.05648 0.01215 -0.00035 182 20 H 1S -0.00493 -0.00161 -0.03072 -0.01163 -0.01670 183 2S -0.00483 0.00128 -0.05653 0.01177 -0.00005 184 21 H 1S 0.01027 -0.00259 0.07385 0.01163 0.01192 185 2S 0.01316 -0.01979 0.09733 -0.00400 -0.01411 186 22 O 1S 0.00143 0.00014 -0.00032 0.00012 -0.00047 187 2S 0.00239 -0.00270 -0.00305 0.00198 -0.00056 188 2PX 0.13305 -0.13465 -0.24199 0.09921 0.30973 189 2PY -0.02419 0.04759 0.04023 0.00297 -0.02066 190 2PZ -0.09992 0.15732 -0.05860 0.28869 0.15114 191 3S -0.03379 0.00593 0.01804 -0.00913 0.00974 192 3PX 0.09110 -0.09739 -0.17642 0.06800 0.22349 193 3PY -0.00651 0.03144 0.02241 0.00721 -0.01983 194 3PZ -0.06850 0.11163 -0.04174 0.20901 0.10390 195 4XX 0.00093 0.00231 0.00039 -0.00066 -0.00289 196 4YY 0.00375 -0.00386 -0.00323 -0.00028 0.00150 197 4ZZ 0.00087 -0.00034 -0.00061 0.00296 -0.00004 198 4XY -0.00786 0.00654 0.00926 -0.00281 -0.01111 199 4XZ 0.00153 -0.00151 -0.00043 -0.00167 0.00069 200 4YZ 0.00557 -0.00751 0.00111 -0.01053 -0.00479 201 23 O 1S 0.00143 0.00014 0.00032 0.00013 -0.00047 202 2S 0.00239 -0.00270 0.00304 0.00199 -0.00057 203 2PX 0.13307 -0.13459 0.24278 0.10056 0.30860 204 2PY 0.02422 -0.04759 0.04035 -0.00279 0.02053 205 2PZ -0.09994 0.15731 0.05787 0.28930 0.15064 206 3S -0.03380 0.00594 -0.01795 -0.00920 0.00980 207 3PX 0.09111 -0.09735 0.17700 0.06899 0.22266 208 3PY 0.00653 -0.03144 0.02254 -0.00711 0.01976 209 3PZ -0.06852 0.11162 0.04119 0.20945 0.10354 210 4XX 0.00093 0.00231 -0.00040 -0.00067 -0.00289 211 4YY 0.00376 -0.00386 0.00324 -0.00027 0.00149 212 4ZZ 0.00087 -0.00034 0.00059 0.00296 -0.00004 213 4XY 0.00786 -0.00654 0.00929 0.00286 0.01107 214 4XZ 0.00153 -0.00151 0.00044 -0.00167 0.00069 215 4YZ -0.00557 0.00751 0.00108 0.01054 0.00478 46 47 48 49 50 O V V V V Eigenvalues -- -0.24115 -0.09083 -0.03741 -0.02161 0.04090 1 1 C 1S -0.00001 0.00000 0.00286 0.00000 0.02277 2 2S 0.00004 0.00000 -0.01517 -0.00001 -0.04691 3 2PX 0.00005 0.00001 -0.03015 -0.00001 -0.01466 4 2PY 0.00272 -0.01567 0.00011 -0.08888 0.00003 5 2PZ 0.00001 0.00000 -0.03696 -0.00005 0.00557 6 3S 0.00005 0.00000 0.01960 0.00001 -0.30699 7 3PX -0.00001 0.00000 0.01551 0.00006 0.08573 8 3PY 0.00589 -0.01038 0.00013 -0.12051 0.00010 9 3PZ -0.00002 0.00000 -0.08849 -0.00013 -0.03193 10 4XX 0.00000 0.00000 0.02533 0.00003 -0.00296 11 4YY 0.00000 0.00000 -0.01142 -0.00001 0.00051 12 4ZZ 0.00000 0.00000 -0.01503 -0.00002 0.00217 13 4XY -0.00877 -0.00677 0.00000 0.00275 0.00000 14 4XZ 0.00000 0.00000 0.00240 0.00000 -0.00388 15 4YZ 0.00562 0.00314 0.00000 -0.00062 0.00000 16 2 H 1S -0.00003 -0.00002 0.11555 0.00014 -0.00734 17 2S -0.00008 -0.00004 0.30987 0.00041 0.11954 18 3 H 1S 0.00000 0.00001 -0.05601 -0.00007 0.00830 19 2S -0.00002 0.00001 -0.21782 -0.00029 0.12651 20 4 C 1S 0.01081 0.01448 -0.02225 0.00474 0.00859 21 2S -0.02190 -0.03489 0.03350 -0.02521 -0.02227 22 2PX -0.16122 -0.11124 0.32940 -0.01483 -0.10608 23 2PY 0.03896 0.02454 -0.00953 -0.00021 0.00176 24 2PZ 0.07911 0.05157 -0.12241 -0.01105 0.06146 25 3S -0.03095 -0.07302 0.18606 0.08019 -0.04877 26 3PX -0.12892 -0.12850 0.39670 -0.00906 -0.19774 27 3PY 0.01946 0.02175 -0.02961 -0.03147 -0.05708 28 3PZ 0.08057 0.05558 -0.11067 -0.00038 0.06189 29 4XX -0.00187 0.00328 -0.00778 0.00115 0.00286 30 4YY 0.00208 -0.00054 -0.00053 -0.00330 -0.00311 31 4ZZ 0.00080 0.00077 0.00036 0.00626 0.00193 32 4XY 0.00013 0.00022 0.00140 -0.00010 -0.00733 33 4XZ -0.00262 -0.00627 -0.00269 -0.01985 -0.00434 34 4YZ -0.00111 0.00016 -0.00048 -0.00033 -0.00040 35 5 H 1S 0.02138 0.00199 -0.01068 -0.02210 0.00083 36 2S 0.02050 -0.00222 -0.03326 -0.03079 0.07743 37 6 C 1S -0.00079 0.00213 0.00165 -0.00343 0.00036 38 2S 0.00626 -0.01699 0.00482 0.00855 0.00797 39 2PX -0.09689 -0.08296 -0.15123 -0.25317 0.06012 40 2PY 0.00823 -0.00426 0.00670 0.00236 0.00763 41 2PZ 0.02130 0.02259 0.05359 0.10619 -0.03232 42 3S -0.04301 0.03228 -0.05814 -0.01765 -0.03381 43 3PX -0.06585 -0.05575 -0.20020 -0.33035 0.07948 44 3PY 0.01940 -0.01135 -0.00678 0.03803 -0.00139 45 3PZ 0.03646 -0.00492 0.09510 0.17948 -0.02077 46 4XX 0.00232 0.00305 -0.00807 0.00019 0.00280 47 4YY 0.00098 -0.00051 0.00037 -0.00120 0.00014 48 4ZZ -0.00354 -0.00495 0.00940 -0.00061 -0.00126 49 4XY -0.00634 -0.00490 0.01212 -0.01306 -0.00887 50 4XZ 0.00456 0.00207 -0.01340 0.00007 0.00615 51 4YZ 0.00062 0.00032 -0.00323 0.00568 0.00353 52 7 H 1S -0.00731 -0.01516 0.00020 0.00058 0.00975 53 2S -0.01194 0.00559 0.01240 -0.05513 0.02850 54 8 C 1S -0.01084 -0.01448 -0.02225 -0.00480 0.00858 55 2S 0.02197 0.03489 0.03346 0.02529 -0.02226 56 2PX 0.16118 0.11114 0.32935 0.01560 -0.10602 57 2PY 0.03900 0.02455 0.00955 -0.00019 -0.00175 58 2PZ -0.07914 -0.05154 -0.12243 0.01077 0.06141 59 3S 0.03111 0.07305 0.18634 -0.07971 -0.04862 60 3PX 0.12891 0.12841 0.39669 0.01006 -0.19769 61 3PY 0.01951 0.02175 0.02972 -0.03138 0.05714 62 3PZ -0.08059 -0.05557 -0.11065 0.00010 0.06182 63 4XX 0.00186 -0.00328 -0.00778 -0.00118 0.00285 64 4YY -0.00207 0.00054 -0.00053 0.00331 -0.00311 65 4ZZ -0.00081 -0.00078 0.00037 -0.00626 0.00194 66 4XY 0.00013 0.00022 -0.00140 -0.00011 0.00733 67 4XZ 0.00264 0.00628 -0.00273 0.01985 -0.00435 68 4YZ -0.00111 0.00017 0.00047 -0.00033 0.00040 69 9 H 1S -0.02135 -0.00199 -0.01075 0.02209 0.00084 70 2S -0.02046 0.00222 -0.03334 0.03076 0.07743 71 10 C 1S 0.00079 -0.00213 0.00164 0.00344 0.00035 72 2S -0.00626 0.01699 0.00483 -0.00854 0.00799 73 2PX 0.09724 0.08303 -0.15176 0.25284 0.05997 74 2PY 0.00829 -0.00424 -0.00675 0.00240 -0.00761 75 2PZ -0.02140 -0.02261 0.05382 -0.10607 -0.03227 76 3S 0.04294 -0.03227 -0.05827 0.01750 -0.03380 77 3PX 0.06611 0.05583 -0.20088 0.32988 0.07926 78 3PY 0.01944 -0.01133 0.00663 0.03813 0.00142 79 3PZ -0.03653 0.00489 0.09549 -0.17924 -0.02067 80 4XX -0.00231 -0.00305 -0.00807 -0.00021 0.00280 81 4YY -0.00097 0.00051 0.00036 0.00119 0.00014 82 4ZZ 0.00354 0.00495 0.00940 0.00063 -0.00125 83 4XY -0.00633 -0.00489 -0.01209 -0.01309 0.00888 84 4XZ -0.00456 -0.00207 -0.01340 -0.00010 0.00615 85 4YZ 0.00061 0.00031 0.00321 0.00569 -0.00353 86 11 H 1S 0.00731 0.01516 0.00020 -0.00058 0.00975 87 2S 0.01196 -0.00559 0.01229 0.05516 0.02851 88 12 C 1S 0.03174 0.00883 0.01290 0.02452 -0.00802 89 2S -0.06387 -0.01382 -0.03911 -0.05458 0.00858 90 2PX -0.14229 0.08650 0.08199 0.21803 -0.15527 91 2PY 0.04351 0.02122 0.01043 0.03383 -0.04548 92 2PZ -0.03382 -0.05260 -0.06967 -0.16772 0.10099 93 3S -0.23114 -0.04175 0.00622 -0.02767 0.10786 94 3PX -0.09795 0.08726 0.11500 0.33327 -0.18476 95 3PY -0.02675 0.01946 -0.01494 0.15754 -0.07077 96 3PZ -0.01168 -0.07657 -0.09359 -0.13601 0.12244 97 4XX 0.00294 0.01156 0.01592 0.00181 0.01426 98 4YY 0.00218 -0.00090 -0.00290 0.00212 -0.00254 99 4ZZ 0.00343 -0.00608 -0.00786 0.00230 -0.01454 100 4XY 0.00901 -0.00379 0.00631 -0.01056 -0.01452 101 4XZ -0.00467 -0.00363 -0.01198 -0.00057 0.00524 102 4YZ 0.00223 0.00354 -0.00423 0.00904 0.01509 103 13 C 1S 0.00443 -0.00168 0.00394 -0.00375 -0.00061 104 2S -0.01624 0.00167 -0.01581 0.00284 0.00399 105 2PX 0.08191 0.16405 0.11458 -0.00273 0.24311 106 2PY -0.01102 0.04164 0.00967 0.01099 0.06020 107 2PZ 0.08533 -0.16411 -0.07421 -0.03998 -0.26715 108 3S 0.02187 0.03529 -0.00590 0.04212 -0.01811 109 3PX 0.00040 0.11383 0.11971 0.00257 0.31220 110 3PY -0.00199 0.00468 -0.00457 -0.13072 0.09515 111 3PZ 0.00141 -0.11567 -0.06719 -0.02225 -0.27356 112 4XX -0.00105 0.00334 -0.00578 -0.01896 -0.00131 113 4YY -0.00042 0.00542 0.00118 0.00212 0.00407 114 4ZZ 0.00162 -0.00786 0.00327 0.01605 -0.00413 115 4XY 0.01605 0.01721 0.00785 -0.00192 0.00828 116 4XZ -0.00297 0.00374 0.00007 -0.00597 0.00218 117 4YZ 0.02509 -0.01646 -0.00630 -0.00322 -0.00626 118 14 C 1S -0.02949 0.00071 -0.00254 0.00382 0.00667 119 2S 0.05922 -0.00098 0.01597 -0.01931 -0.02112 120 2PX -0.08413 0.18433 -0.07748 -0.13720 -0.09307 121 2PY -0.03725 0.00773 -0.00684 0.01232 -0.01125 122 2PZ -0.08484 -0.15746 0.05676 0.13864 0.05984 123 3S 0.22732 0.01907 -0.02082 0.07867 -0.09258 124 3PX -0.04605 0.19502 -0.06104 -0.23948 -0.13454 125 3PY 0.04032 0.03618 0.00690 0.05756 0.03429 126 3PZ -0.03383 -0.17707 0.04772 0.15414 0.07154 127 4XX -0.00114 -0.00639 -0.00773 0.00060 -0.01394 128 4YY -0.00268 -0.00134 0.00137 -0.00181 -0.00442 129 4ZZ -0.00154 0.00847 0.00820 0.00027 0.01752 130 4XY 0.00623 -0.01279 -0.00548 0.00772 -0.01508 131 4XZ -0.00066 -0.00060 -0.00006 -0.00004 -0.00150 132 4YZ 0.00629 0.00927 0.00373 -0.00886 0.00640 133 15 C 1S 0.02950 -0.00071 -0.00253 -0.00383 0.00667 134 2S -0.05925 0.00097 0.01592 0.01934 -0.02113 135 2PX 0.08414 -0.18432 -0.07784 0.13703 -0.09296 136 2PY -0.03728 0.00771 0.00681 0.01235 0.01124 137 2PZ 0.08489 0.15746 0.05711 -0.13851 0.05975 138 3S -0.22736 -0.01907 -0.02062 -0.07873 -0.09245 139 3PX 0.04604 -0.19503 -0.06163 0.23933 -0.13442 140 3PY 0.04030 0.03615 -0.00704 0.05757 -0.03438 141 3PZ 0.03386 0.17707 0.04808 -0.15403 0.07137 142 4XX 0.00114 0.00640 -0.00773 -0.00062 -0.01394 143 4YY 0.00268 0.00134 0.00136 0.00181 -0.00441 144 4ZZ 0.00154 -0.00847 0.00820 -0.00025 0.01752 145 4XY 0.00623 -0.01278 0.00546 0.00773 0.01508 146 4XZ 0.00066 0.00060 -0.00006 0.00004 -0.00150 147 4YZ 0.00629 0.00927 -0.00371 -0.00887 -0.00641 148 16 C 1S -0.00443 0.00168 0.00393 0.00376 -0.00060 149 2S 0.01622 -0.00167 -0.01580 -0.00287 0.00399 150 2PX -0.08188 -0.16407 0.11451 0.00300 0.24311 151 2PY -0.01101 0.04162 -0.00967 0.01095 -0.06015 152 2PZ -0.08537 0.16409 -0.07423 0.03978 -0.26711 153 3S -0.02184 -0.03528 -0.00587 -0.04211 -0.01823 154 3PX -0.00040 -0.11383 0.11967 -0.00226 0.31224 155 3PY -0.00198 0.00466 0.00492 -0.13070 -0.09495 156 3PZ -0.00141 0.11566 -0.06717 0.02207 -0.27349 157 4XX 0.00103 -0.00335 -0.00583 0.01895 -0.00130 158 4YY 0.00043 -0.00542 0.00118 -0.00212 0.00407 159 4ZZ -0.00161 0.00786 0.00331 -0.01604 -0.00413 160 4XY 0.01604 0.01721 -0.00785 -0.00193 -0.00829 161 4XZ 0.00297 -0.00373 0.00006 0.00597 0.00218 162 4YZ 0.02511 -0.01646 0.00631 -0.00321 0.00626 163 17 C 1S -0.03172 -0.00883 0.01295 -0.02448 -0.00801 164 2S 0.06384 0.01381 -0.03923 0.05446 0.00854 165 2PX 0.14267 -0.08651 0.08251 -0.21785 -0.15531 166 2PY 0.04344 0.02122 -0.01050 0.03379 0.04551 167 2PZ 0.03354 0.05260 -0.07007 0.16756 0.10103 168 3S 0.23101 0.04171 0.00629 0.02758 0.10791 169 3PX 0.09826 -0.08725 0.11575 -0.33300 -0.18472 170 3PY -0.02683 0.01945 0.01457 0.15755 0.07073 171 3PZ 0.01145 0.07658 -0.09384 0.13579 0.12264 172 4XX -0.00294 -0.01156 0.01592 -0.00177 0.01425 173 4YY -0.00218 0.00090 -0.00289 -0.00212 -0.00254 174 4ZZ -0.00343 0.00608 -0.00785 -0.00232 -0.01454 175 4XY 0.00899 -0.00379 -0.00629 -0.01058 0.01452 176 4XZ 0.00467 0.00363 -0.01198 0.00054 0.00524 177 4YZ 0.00224 0.00354 0.00421 0.00905 -0.01509 178 18 H 1S 0.01682 -0.01632 -0.03849 0.03275 0.00226 179 2S 0.06274 -0.03325 -0.11196 0.13632 -0.03601 180 19 H 1S -0.04680 0.00723 0.00302 0.00132 0.01780 181 2S -0.09491 0.02193 0.00660 0.04452 0.12632 182 20 H 1S 0.04680 -0.00723 0.00303 -0.00131 0.01779 183 2S 0.09492 -0.02192 0.00669 -0.04450 0.12633 184 21 H 1S -0.01683 0.01633 -0.03840 -0.03283 0.00228 185 2S -0.06275 0.03326 -0.11159 -0.13656 -0.03588 186 22 O 1S -0.00020 -0.00210 0.00119 -0.00415 -0.00159 187 2S -0.00098 0.00391 -0.00112 -0.00744 0.00047 188 2PX 0.17424 0.19930 -0.07688 -0.01394 -0.16450 189 2PY 0.00700 -0.05239 0.01715 -0.00122 0.03191 190 2PZ 0.29089 -0.18470 0.06515 -0.02523 0.17234 191 3S 0.00880 0.02671 -0.02099 0.11880 0.03068 192 3PX 0.12714 0.17394 -0.08646 -0.01397 -0.18819 193 3PY 0.00079 -0.05235 0.02528 -0.03575 0.02902 194 3PZ 0.21387 -0.16392 0.06612 -0.01908 0.19065 195 4XX -0.00214 -0.00247 0.00091 -0.00261 -0.00200 196 4YY -0.00051 0.00145 0.00000 -0.00313 0.00081 197 4ZZ 0.00156 0.00018 0.00076 -0.00896 -0.00172 198 4XY -0.00451 -0.00172 -0.00003 0.00041 -0.00221 199 4XZ -0.00070 0.00056 -0.00047 0.00095 0.00112 200 4YZ -0.00928 0.00182 0.00016 -0.00143 0.00362 201 23 O 1S 0.00020 0.00210 0.00118 0.00416 -0.00160 202 2S 0.00098 -0.00391 -0.00114 0.00743 0.00047 203 2PX -0.17440 -0.19928 -0.07697 0.01378 -0.16450 204 2PY 0.00697 -0.05241 -0.01718 -0.00126 -0.03193 205 2PZ -0.29063 0.18471 0.06515 0.02539 0.17237 206 3S -0.00882 -0.02671 -0.02071 -0.11886 0.03077 207 3PX -0.12726 -0.17393 -0.08654 0.01377 -0.18819 208 3PY 0.00076 -0.05237 -0.02522 -0.03582 -0.02902 209 3PZ -0.21368 0.16393 0.06614 0.01925 0.19068 210 4XX 0.00214 0.00247 0.00090 0.00262 -0.00200 211 4YY 0.00051 -0.00145 -0.00001 0.00313 0.00081 212 4ZZ -0.00156 -0.00018 0.00074 0.00896 -0.00173 213 4XY -0.00452 -0.00172 0.00003 0.00041 0.00221 214 4XZ 0.00070 -0.00056 -0.00047 -0.00095 0.00112 215 4YZ -0.00927 0.00182 -0.00016 -0.00143 -0.00362 51 52 53 54 55 V V V V V Eigenvalues -- 0.06873 0.08015 0.10835 0.12069 0.13553 1 1 C 1S -0.00002 -0.05777 -0.00952 -0.04604 0.08040 2 2S 0.00003 0.06263 0.00437 0.04174 -0.07604 3 2PX -0.00003 -0.04335 0.00245 -0.06575 0.33868 4 2PY 0.09110 -0.00003 0.00001 0.00000 -0.00059 5 2PZ -0.00005 -0.14654 -0.02298 -0.08532 -0.06098 6 3S 0.00037 1.00381 0.17429 0.89696 -1.48335 7 3PX -0.00010 -0.02435 -0.02199 -0.10781 0.93566 8 3PY 0.31515 -0.00008 0.00004 0.00002 -0.00328 9 3PZ -0.00009 -0.33578 -0.19303 -0.27704 -0.35768 10 4XX 0.00000 -0.00841 -0.00123 -0.00311 0.01191 11 4YY 0.00000 0.00503 -0.01415 -0.00936 0.00501 12 4ZZ 0.00000 -0.00875 0.01022 0.00177 0.00334 13 4XY -0.01916 0.00001 0.00000 0.00000 -0.00005 14 4XZ 0.00000 -0.00327 0.00707 0.00468 -0.00659 15 4YZ 0.00556 0.00000 0.00000 0.00000 0.00012 16 2 H 1S -0.00001 -0.03035 -0.00808 -0.01371 0.06354 17 2S -0.00018 -0.36797 -0.03046 -0.39547 1.82463 18 3 H 1S -0.00001 -0.02346 0.03172 -0.00147 0.00270 19 2S -0.00030 -0.84650 -0.15861 -0.61299 0.07869 20 4 C 1S 0.03890 -0.02405 0.03372 0.01428 0.00555 21 2S -0.06666 0.05472 -0.06432 -0.01439 -0.03375 22 2PX -0.16469 -0.06455 0.00489 0.00536 -0.02170 23 2PY 0.02946 0.10364 -0.08003 -0.00982 -0.01898 24 2PZ 0.12838 0.01031 0.04635 0.02586 -0.00602 25 3S -0.44974 0.31266 -0.38541 -0.19557 0.01938 26 3PX -0.21532 -0.09616 0.05207 0.06499 -0.26376 27 3PY 0.06389 0.26460 -0.24535 0.01173 -0.09684 28 3PZ 0.23659 0.09704 0.22476 0.18594 0.08391 29 4XX 0.01482 0.00269 -0.00245 -0.00151 -0.00271 30 4YY -0.00178 -0.01045 0.01386 0.00680 0.00011 31 4ZZ -0.00491 0.00577 -0.00450 -0.00010 0.00050 32 4XY -0.00165 -0.00073 -0.00118 -0.00001 -0.00852 33 4XZ 0.01086 0.00308 -0.00253 0.00064 -0.00369 34 4YZ 0.00231 0.00828 -0.00692 -0.00342 0.00750 35 5 H 1S 0.00000 -0.03411 0.05507 0.02912 -0.00101 36 2S 0.15611 -0.54440 0.63036 0.18180 0.10124 37 6 C 1S 0.00376 -0.02409 0.03365 0.02119 -0.00734 38 2S -0.01378 0.05409 -0.04570 -0.01913 -0.01307 39 2PX 0.24100 0.03813 -0.03827 -0.04396 0.05719 40 2PY 0.01519 0.03176 -0.10030 -0.07420 0.00985 41 2PZ -0.08005 0.05762 -0.11095 -0.07609 0.00528 42 3S -0.02481 0.25131 -0.66756 -0.49771 0.11210 43 3PX 0.38988 0.10150 -0.08148 -0.07904 0.06758 44 3PY 0.03759 0.05416 -0.22573 -0.21553 0.05701 45 3PZ -0.14432 0.12937 -0.20119 -0.17337 0.01388 46 4XX 0.00302 -0.00017 -0.00164 -0.00037 -0.00007 47 4YY 0.00299 0.00347 0.00162 0.00331 -0.00254 48 4ZZ -0.00690 -0.00611 0.00280 0.00137 -0.00676 49 4XY 0.01080 -0.00566 0.00431 0.00241 -0.00471 50 4XZ 0.00407 0.00115 0.00316 -0.00003 -0.00003 51 4YZ -0.00463 -0.01248 0.01354 0.00537 -0.00022 52 7 H 1S 0.00056 -0.04247 0.04774 0.01998 -0.01083 53 2S -0.04395 -0.44317 0.78439 0.59085 -0.13107 54 8 C 1S -0.03894 -0.02402 0.03371 0.01428 0.00644 55 2S 0.06673 0.05466 -0.06431 -0.01439 -0.03466 56 2PX 0.16471 -0.06466 0.00489 0.00535 -0.01881 57 2PY 0.02941 -0.10366 0.08003 0.00981 0.02161 58 2PZ -0.12843 0.01040 0.04634 0.02586 -0.00630 59 3S 0.45019 0.31233 -0.38531 -0.19553 0.00093 60 3PX 0.21536 -0.09634 0.05209 0.06499 -0.25767 61 3PY 0.06373 -0.26462 0.24534 -0.01177 0.10392 62 3PZ -0.23660 0.09723 0.22475 0.18591 0.08111 63 4XX -0.01482 0.00269 -0.00245 -0.00151 -0.00281 64 4YY 0.00177 -0.01045 0.01385 0.00680 0.00009 65 4ZZ 0.00491 0.00576 -0.00450 -0.00010 0.00071 66 4XY -0.00165 0.00073 0.00117 0.00001 0.00838 67 4XZ -0.01085 0.00309 -0.00253 0.00064 -0.00367 68 4YZ 0.00231 -0.00828 0.00692 0.00342 -0.00741 69 9 H 1S -0.00005 -0.03410 0.05507 0.02912 -0.00091 70 2S -0.15659 -0.54425 0.63030 0.18172 0.11783 71 10 C 1S -0.00377 -0.02409 0.03366 0.02119 -0.00785 72 2S 0.01382 0.05409 -0.04572 -0.01914 -0.01207 73 2PX -0.24100 0.03829 -0.03828 -0.04397 0.05448 74 2PY 0.01513 -0.03176 0.10031 0.07420 -0.00995 75 2PZ 0.08009 0.05756 -0.11093 -0.07608 0.00517 76 3S 0.02495 0.25125 -0.66763 -0.49773 0.11645 77 3PX -0.38986 0.10179 -0.08154 -0.07908 0.06174 78 3PY 0.03749 -0.05423 0.22576 0.21554 -0.06167 79 3PZ 0.14440 0.12929 -0.20119 -0.17340 0.01247 80 4XX -0.00303 -0.00016 -0.00164 -0.00037 -0.00014 81 4YY -0.00299 0.00347 0.00162 0.00331 -0.00269 82 4ZZ 0.00690 -0.00611 0.00280 0.00137 -0.00667 83 4XY 0.01080 0.00565 -0.00431 -0.00241 0.00478 84 4XZ -0.00407 0.00115 0.00316 -0.00003 -0.00014 85 4YZ -0.00462 0.01248 -0.01354 -0.00537 0.00020 86 11 H 1S -0.00059 -0.04247 0.04775 0.01998 -0.01142 87 2S 0.04369 -0.44322 0.78446 0.59092 -0.13334 88 12 C 1S 0.00494 -0.04311 -0.03000 -0.01532 -0.00326 89 2S 0.00025 0.06144 0.06100 0.00795 -0.01466 90 2PX 0.08012 -0.06967 -0.02568 -0.06111 -0.00981 91 2PY 0.03100 -0.07295 -0.03583 -0.03008 -0.03798 92 2PZ -0.05417 -0.10310 -0.04148 -0.08894 -0.11640 93 3S -0.11250 0.64966 0.41271 0.43239 0.19873 94 3PX 0.06218 -0.16235 -0.04826 -0.06565 -0.14285 95 3PY -0.01279 -0.26926 -0.16574 -0.17590 -0.08695 96 3PZ -0.20594 -0.24640 -0.11928 -0.14958 -0.26184 97 4XX 0.01459 -0.00536 -0.00267 -0.00401 0.00554 98 4YY -0.00369 0.00217 0.00598 0.00021 -0.00538 99 4ZZ -0.00580 -0.00775 -0.00629 0.00058 -0.00291 100 4XY -0.00317 -0.00763 -0.00780 -0.00245 -0.00907 101 4XZ -0.00645 -0.00266 -0.00429 0.00308 0.00376 102 4YZ 0.00362 -0.00611 -0.00460 -0.00208 -0.01389 103 13 C 1S 0.00002 -0.00242 -0.00633 0.01059 -0.02315 104 2S -0.00086 0.01956 0.01797 -0.02413 0.04531 105 2PX 0.11086 0.00088 0.01588 -0.04933 -0.09233 106 2PY 0.02872 -0.01229 -0.01967 -0.01037 0.02205 107 2PZ -0.10339 -0.01975 -0.01055 -0.01743 0.00336 108 3S 0.04221 -0.10213 -0.00504 -0.08262 0.26722 109 3PX 0.09216 0.03459 0.02167 0.05956 -0.09431 110 3PY 0.16653 0.07302 -0.11212 -0.11270 0.11861 111 3PZ -0.12882 0.00047 -0.02467 0.10989 0.05825 112 4XX -0.01654 0.00643 0.00811 -0.00409 -0.00422 113 4YY 0.00346 -0.01559 -0.01808 0.01198 -0.00632 114 4ZZ 0.01315 0.00837 0.00792 -0.00408 0.00386 115 4XY 0.00071 0.00565 0.00103 0.00386 0.00357 116 4XZ 0.00149 0.00546 0.00504 -0.00234 0.00004 117 4YZ -0.00359 -0.00100 -0.00360 0.00745 0.00068 118 14 C 1S -0.00461 -0.02063 -0.03697 0.03556 0.01045 119 2S 0.02482 0.04468 0.05271 -0.05443 -0.00885 120 2PX -0.20357 -0.00136 0.07512 -0.12350 -0.00755 121 2PY -0.00471 -0.03702 -0.06420 0.09449 0.02753 122 2PZ 0.16990 0.02114 0.07186 -0.16252 -0.03144 123 3S -0.10398 0.23886 0.59730 -0.74953 -0.22994 124 3PX -0.25368 0.04499 0.13271 -0.29448 0.00985 125 3PY -0.08112 -0.11720 -0.23664 0.34691 0.08722 126 3PZ 0.30990 0.06308 0.16523 -0.32754 -0.02651 127 4XX -0.00559 -0.00349 -0.00749 0.00276 0.00408 128 4YY -0.00074 0.00344 0.00234 -0.00149 -0.00026 129 4ZZ 0.00743 -0.00137 -0.00462 0.00071 -0.00160 130 4XY 0.00977 0.00180 0.00973 -0.00996 0.00241 131 4XZ 0.00029 -0.00435 -0.00744 0.00083 0.00079 132 4YZ -0.00861 0.00441 0.00981 -0.01541 -0.00302 133 15 C 1S 0.00459 -0.02064 -0.03697 0.03556 0.00993 134 2S -0.02478 0.04470 0.05271 -0.05441 -0.00743 135 2PX 0.20361 -0.00150 0.07511 -0.12349 -0.00822 136 2PY -0.00467 0.03703 0.06420 -0.09450 -0.02687 137 2PZ -0.16991 0.02125 0.07186 -0.16251 -0.03062 138 3S 0.10415 0.23872 0.59732 -0.74951 -0.23168 139 3PX 0.25379 0.04484 0.13267 -0.29440 0.01377 140 3PY -0.08101 0.11729 0.23662 -0.34694 -0.08149 141 3PZ -0.30988 0.06334 0.16519 -0.32749 -0.01942 142 4XX 0.00560 -0.00349 -0.00749 0.00276 0.00399 143 4YY 0.00074 0.00344 0.00234 -0.00149 -0.00036 144 4ZZ -0.00744 -0.00136 -0.00462 0.00071 -0.00154 145 4XY 0.00976 -0.00180 -0.00974 0.00997 -0.00241 146 4XZ -0.00029 -0.00435 -0.00744 0.00083 0.00066 147 4YZ -0.00861 -0.00440 -0.00981 0.01541 0.00304 148 16 C 1S -0.00002 -0.00242 -0.00634 0.01059 -0.02279 149 2S 0.00088 0.01955 0.01798 -0.02414 0.04410 150 2PX -0.11098 0.00097 0.01586 -0.04933 -0.09043 151 2PY 0.02874 0.01227 0.01966 0.01037 -0.02143 152 2PZ 0.10350 -0.01983 -0.01054 -0.01744 0.00210 153 3S -0.04225 -0.10206 -0.00508 -0.08264 0.26895 154 3PX -0.09232 0.03469 0.02168 0.05958 -0.09371 155 3PY 0.16652 -0.07322 0.11218 0.11268 -0.12801 156 3PZ 0.12896 0.00039 -0.02466 0.10991 0.05825 157 4XX 0.01654 0.00642 0.00811 -0.00408 -0.00416 158 4YY -0.00347 -0.01559 -0.01808 0.01198 -0.00643 159 4ZZ -0.01314 0.00838 0.00792 -0.00408 0.00390 160 4XY 0.00071 -0.00564 -0.00103 -0.00386 -0.00361 161 4XZ -0.00149 0.00546 0.00504 -0.00234 0.00022 162 4YZ -0.00359 0.00101 0.00360 -0.00745 -0.00070 163 17 C 1S -0.00496 -0.04311 -0.02999 -0.01532 -0.00460 164 2S -0.00023 0.06146 0.06098 0.00796 -0.01210 165 2PX -0.08006 -0.06966 -0.02569 -0.06111 -0.01233 166 2PY 0.03101 0.07292 0.03583 0.03007 0.03908 167 2PZ 0.05404 -0.10312 -0.04148 -0.08893 -0.11704 168 3S 0.11277 0.64944 0.41270 0.43235 0.21013 169 3PX -0.06212 -0.16244 -0.04825 -0.06568 -0.15218 170 3PY -0.01267 0.26937 0.16568 0.17595 0.09298 171 3PZ 0.20568 -0.24656 -0.11916 -0.14954 -0.27310 172 4XX -0.01460 -0.00535 -0.00267 -0.00401 0.00547 173 4YY 0.00369 0.00217 0.00599 0.00022 -0.00561 174 4ZZ 0.00580 -0.00775 -0.00629 0.00058 -0.00295 175 4XY -0.00318 0.00763 0.00780 0.00245 0.00902 176 4XZ 0.00644 -0.00267 -0.00429 0.00308 0.00370 177 4YZ 0.00364 0.00611 0.00460 0.00208 0.01380 178 18 H 1S -0.03181 -0.03868 -0.04202 -0.00665 -0.04547 179 2S -0.13962 -0.79210 -0.46957 -0.44741 -0.51776 180 19 H 1S -0.00059 -0.02316 -0.06737 0.06031 0.00870 181 2S -0.04410 -0.29708 -0.74101 1.10408 0.19637 182 20 H 1S 0.00057 -0.02316 -0.06737 0.06031 0.00812 183 2S 0.04387 -0.29714 -0.74097 1.10400 0.18681 184 21 H 1S 0.03177 -0.03870 -0.04202 -0.00665 -0.04601 185 2S 0.13913 -0.79226 -0.46944 -0.44742 -0.53884 186 22 O 1S 0.00550 0.00016 0.01090 0.00022 0.00041 187 2S -0.00396 -0.00951 -0.02418 0.00564 -0.00325 188 2PX 0.05656 -0.01152 0.02105 0.02063 0.02869 189 2PY -0.00315 0.04544 0.05328 -0.03438 0.01727 190 2PZ -0.06294 0.00262 -0.00539 -0.01669 -0.02037 191 3S -0.10259 0.06378 -0.11494 -0.05072 0.02794 192 3PX 0.07140 -0.01112 0.00454 0.01761 0.04628 193 3PY 0.01932 0.00259 0.07471 -0.00455 0.00346 194 3PZ -0.07761 0.00942 -0.00276 -0.01873 -0.01624 195 4XX 0.00677 -0.00287 0.00251 0.00349 -0.00090 196 4YY 0.00042 0.00347 0.00132 -0.00357 0.00206 197 4ZZ 0.00092 -0.00324 0.00054 0.00145 -0.00060 198 4XY 0.00105 0.00227 -0.00120 0.00246 0.00293 199 4XZ 0.00006 -0.00039 -0.00100 0.00092 -0.00112 200 4YZ -0.00170 0.00012 0.00005 0.00353 0.00071 201 23 O 1S -0.00550 0.00016 0.01089 0.00022 0.00073 202 2S 0.00396 -0.00951 -0.02418 0.00564 -0.00359 203 2PX -0.05649 -0.01147 0.02104 0.02063 0.03001 204 2PY -0.00317 -0.04543 -0.05328 0.03439 -0.01714 205 2PZ 0.06287 0.00257 -0.00539 -0.01669 -0.02062 206 3S 0.10261 0.06366 -0.11491 -0.05074 0.02165 207 3PX -0.07131 -0.01105 0.00455 0.01762 0.04759 208 3PY 0.01932 -0.00261 -0.07471 0.00455 -0.00523 209 3PZ 0.07753 0.00936 -0.00275 -0.01873 -0.01682 210 4XX -0.00677 -0.00286 0.00251 0.00349 -0.00070 211 4YY -0.00042 0.00347 0.00132 -0.00357 0.00199 212 4ZZ -0.00092 -0.00324 0.00054 0.00145 -0.00044 213 4XY 0.00105 -0.00227 0.00120 -0.00246 -0.00293 214 4XZ -0.00006 -0.00039 -0.00100 0.00092 -0.00111 215 4YZ -0.00170 -0.00012 -0.00005 -0.00353 -0.00068 56 57 58 59 60 V V V V V Eigenvalues -- 0.13578 0.15095 0.15137 0.15962 0.17377 1 1 C 1S -0.00085 0.08655 0.00000 0.00000 -0.00004 2 2S 0.00081 -0.13006 -0.00001 0.00000 -0.00001 3 2PX -0.00348 -0.10054 -0.00006 -0.00004 -0.00009 4 2PY -0.06105 -0.00005 0.03993 -0.02108 0.02276 5 2PZ 0.00057 0.03001 0.00000 -0.00003 0.00055 6 3S 0.01560 -1.04531 -0.00005 0.00000 0.00098 7 3PX -0.00962 -0.18804 -0.00017 -0.00013 -0.00010 8 3PY -0.33068 -0.00014 -0.02322 -0.26079 -0.03150 9 3PZ 0.00351 0.22976 0.00002 -0.00010 0.00214 10 4XX -0.00012 -0.00367 0.00000 0.00000 0.00000 11 4YY -0.00006 0.01882 0.00000 0.00000 -0.00003 12 4ZZ -0.00004 0.00605 0.00000 0.00000 0.00002 13 4XY -0.00521 0.00000 -0.00231 0.01055 0.00600 14 4XZ 0.00007 0.00174 0.00000 0.00000 -0.00001 15 4YZ 0.01205 0.00001 -0.01293 0.00987 0.00299 16 2 H 1S -0.00065 -0.01989 -0.00002 -0.00002 0.00001 17 2S -0.01884 0.07571 -0.00020 -0.00016 -0.00110 18 3 H 1S -0.00005 0.03822 0.00001 0.00000 0.00014 19 2S -0.00116 0.77079 0.00007 -0.00010 0.00234 20 4 C 1S -0.04192 -0.08065 -0.01360 -0.06187 -0.00668 21 2S 0.04381 0.11998 0.00612 0.11327 0.01592 22 2PX -0.13864 -0.04129 0.03221 0.01557 0.06175 23 2PY 0.12337 0.09001 0.16854 0.06644 -0.08593 24 2PZ 0.01383 -0.05157 -0.09035 -0.05436 -0.02417 25 3S 0.87969 1.16922 0.59561 0.73788 -0.00568 26 3PX -0.29078 -0.10099 0.01384 0.06224 0.17002 27 3PY 0.33012 0.41959 0.32015 0.45336 -0.25920 28 3PZ 0.13850 -0.19210 -0.18290 -0.12771 0.05503 29 4XX 0.00471 -0.00043 -0.00584 -0.00842 -0.00507 30 4YY 0.00127 -0.01019 -0.00021 0.00477 0.00290 31 4ZZ -0.01045 -0.00694 0.00564 -0.01000 -0.00103 32 4XY -0.00665 -0.00374 0.00157 0.00602 0.00461 33 4XZ -0.00104 -0.00233 0.00763 -0.00096 0.00229 34 4YZ 0.00404 -0.01267 -0.00008 0.00462 -0.00222 35 5 H 1S -0.00357 -0.05236 -0.00582 -0.02408 0.01483 36 2S -0.78027 -1.10649 -0.72731 -0.86155 0.33619 37 6 C 1S 0.02484 0.04076 -0.06003 0.06093 0.01597 38 2S -0.04749 -0.06453 0.10604 -0.11801 -0.01821 39 2PX 0.13012 -0.02468 0.01414 -0.08482 -0.06297 40 2PY -0.00609 -0.09206 0.09405 -0.03498 -0.03480 41 2PZ 0.00448 -0.07804 0.14744 -0.02615 -0.02708 42 3S -0.21989 -0.70769 0.86508 -0.59917 -0.38868 43 3PX 0.28070 -0.06429 0.21088 -0.26228 -0.13574 44 3PY -0.22368 -0.42564 0.27789 -0.29271 -0.02909 45 3PZ 0.06824 -0.19745 0.67917 -0.38362 -0.03355 46 4XX 0.00301 0.00317 -0.00186 -0.00194 -0.00138 47 4YY 0.00719 -0.00435 0.00062 0.01076 -0.00247 48 4ZZ -0.00416 0.00599 -0.00641 0.00364 0.00348 49 4XY 0.00350 -0.00015 0.00103 -0.00293 -0.00132 50 4XZ 0.00504 0.00518 -0.00381 -0.00053 -0.00189 51 4YZ -0.00121 -0.00198 0.00357 -0.00327 0.00082 52 7 H 1S 0.02877 0.03208 -0.03913 0.03343 0.01352 53 2S 0.11414 0.84353 -1.27615 0.89419 0.30890 54 8 C 1S 0.04181 -0.08063 0.01358 0.06187 0.00675 55 2S -0.04313 0.11996 -0.00608 -0.11326 -0.01596 56 2PX 0.13908 -0.04127 -0.03226 -0.01560 -0.06151 57 2PY 0.12300 -0.09006 0.16851 0.06645 -0.08599 58 2PZ -0.01372 -0.05156 0.09037 0.05433 0.02440 59 3S -0.88016 1.16906 -0.59520 -0.73777 0.00418 60 3PX 0.29628 -0.10096 -0.01386 -0.06234 -0.16878 61 3PY 0.32819 -0.41970 0.32010 0.45341 -0.26016 62 3PZ -0.14025 -0.19212 0.18287 0.12765 -0.05430 63 4XX -0.00465 -0.00043 0.00585 0.00842 0.00508 64 4YY -0.00127 -0.01019 0.00021 -0.00477 -0.00287 65 4ZZ 0.01044 -0.00693 -0.00564 0.01000 0.00100 66 4XY -0.00682 0.00373 0.00157 0.00602 0.00456 67 4XZ 0.00112 -0.00233 -0.00763 0.00096 -0.00231 68 4YZ 0.00419 0.01267 -0.00008 0.00462 -0.00223 69 9 H 1S 0.00359 -0.05238 0.00580 0.02407 -0.01471 70 2S 0.77831 -1.10657 0.72700 0.86148 -0.33582 71 10 C 1S -0.02469 0.04075 0.06005 -0.06093 -0.01596 72 2S 0.04776 -0.06450 -0.10606 0.11800 0.01819 73 2PX -0.13131 -0.02471 -0.01416 0.08480 0.06310 74 2PY -0.00590 0.09202 0.09409 -0.03497 -0.03479 75 2PZ -0.00461 -0.07801 -0.14743 0.02612 0.02742 76 3S 0.21760 -0.70752 -0.86531 0.59909 0.38880 77 3PX -0.28208 -0.06432 -0.21095 0.26228 0.13594 78 3PY -0.22254 0.42547 0.27804 -0.29264 -0.02917 79 3PZ -0.06860 -0.19733 -0.67914 0.38351 0.03428 80 4XX -0.00301 0.00317 0.00186 0.00194 0.00139 81 4YY -0.00713 -0.00434 -0.00062 -0.01077 0.00247 82 4ZZ 0.00430 0.00599 0.00642 -0.00364 -0.00347 83 4XY 0.00340 0.00015 0.00103 -0.00292 -0.00134 84 4XZ -0.00504 0.00518 0.00380 0.00052 0.00191 85 4YZ -0.00122 0.00198 0.00357 -0.00327 0.00085 86 11 H 1S -0.02854 0.03206 0.03914 -0.03342 -0.01360 87 2S -0.11137 0.84321 1.27635 -0.89400 -0.31005 88 12 C 1S 0.06540 0.00032 -0.01707 -0.02081 -0.00739 89 2S -0.12373 0.00847 0.02176 0.06277 -0.01403 90 2PX 0.12375 0.00318 -0.11524 -0.12602 -0.14431 91 2PY 0.05419 -0.01607 -0.01411 -0.01861 0.05376 92 2PZ 0.03262 -0.02176 0.06852 0.10420 0.06921 93 3S -0.55910 -0.05156 0.28678 -0.15919 0.43355 94 3PX 0.45604 -0.05048 -0.17847 -0.33880 -0.17390 95 3PY 0.29721 0.03832 -0.01487 -0.27600 0.36247 96 3PZ 0.54995 -0.12094 0.12176 0.07345 0.23547 97 4XX 0.00356 0.00309 0.00398 0.00511 0.00644 98 4YY 0.01114 -0.00120 -0.00249 -0.00565 -0.00766 99 4ZZ 0.00168 0.00077 -0.00581 -0.00705 0.00000 100 4XY -0.00228 0.00265 0.00446 0.00294 0.00685 101 4XZ 0.00290 -0.00127 0.00080 0.00000 0.00918 102 4YZ -0.00415 -0.00558 -0.00027 -0.00137 -0.00017 103 13 C 1S -0.01722 -0.00522 0.00258 0.01034 -0.01799 104 2S 0.05789 0.00353 -0.01332 -0.03493 0.06635 105 2PX -0.09124 -0.01936 0.11686 0.12742 0.13063 106 2PY 0.02987 0.00190 0.01354 0.00998 0.09521 107 2PZ 0.06190 -0.00158 -0.09272 -0.14256 -0.03546 108 3S -0.08758 0.10795 0.01664 0.05887 -0.05117 109 3PX -0.02872 -0.06136 0.17631 0.17286 0.16542 110 3PY -0.45662 0.11337 -0.20619 0.40180 -0.21679 111 3PZ -0.00060 -0.01417 -0.10038 -0.11198 -0.12179 112 4XX -0.00310 0.00074 0.00102 0.00065 -0.00476 113 4YY 0.00495 -0.00395 0.00453 0.00100 0.01112 114 4ZZ -0.00210 0.00044 -0.00460 -0.00056 -0.00775 115 4XY -0.00209 0.00281 -0.00139 -0.00195 -0.00191 116 4XZ -0.00880 0.00155 -0.00180 0.00505 -0.01247 117 4YZ -0.00089 -0.00126 0.00017 0.00203 0.00137 118 14 C 1S 0.02524 -0.00079 0.00760 -0.03059 0.06912 119 2S -0.06920 -0.00842 -0.03341 0.08217 -0.14430 120 2PX 0.03294 0.01919 -0.05909 -0.07905 -0.15371 121 2PY 0.03211 -0.00091 0.01343 -0.02022 0.09913 122 2PZ -0.03969 -0.01564 0.01785 0.13019 -0.04013 123 3S 0.08570 0.03125 0.05258 0.10610 -0.57873 124 3PX -0.18927 0.03259 -0.26644 0.16586 -0.72863 125 3PY 0.27548 -0.03364 0.14225 -0.18468 0.55891 126 3PZ -0.34443 0.04314 -0.03054 0.50625 -0.55336 127 4XX 0.00445 -0.00179 -0.00715 -0.00416 -0.00287 128 4YY 0.00463 -0.00157 -0.00113 -0.00717 0.00702 129 4ZZ -0.00280 -0.00101 0.00443 0.00881 0.00850 130 4XY -0.00021 0.00229 0.00077 0.00076 0.00651 131 4XZ 0.00597 -0.00226 -0.00218 -0.00262 0.00538 132 4YZ 0.00085 -0.00134 -0.00058 -0.00567 0.00311 133 15 C 1S -0.02545 -0.00081 -0.00760 0.03059 -0.06906 134 2S 0.06938 -0.00837 0.03341 -0.08217 0.14422 135 2PX -0.03277 0.01917 0.05910 0.07906 0.15371 136 2PY 0.03268 0.00093 0.01344 -0.02020 0.09900 137 2PZ 0.04035 -0.01560 -0.01785 -0.13020 0.04026 138 3S -0.08084 0.03122 -0.05250 -0.10604 0.57744 139 3PX 0.18899 0.03269 0.26642 -0.16584 0.72886 140 3PY 0.27728 0.03379 0.14232 -0.18467 0.55844 141 3PZ 0.34491 0.04338 0.03054 -0.50625 0.55373 142 4XX -0.00453 -0.00179 0.00715 0.00416 0.00287 143 4YY -0.00463 -0.00158 0.00113 0.00717 -0.00703 144 4ZZ 0.00283 -0.00101 -0.00443 -0.00881 -0.00848 145 4XY -0.00016 -0.00229 0.00077 0.00076 0.00650 146 4XZ -0.00599 -0.00226 0.00218 0.00263 -0.00538 147 4YZ 0.00079 0.00135 -0.00057 -0.00567 0.00308 148 16 C 1S 0.01770 -0.00521 -0.00257 -0.01033 0.01780 149 2S -0.05883 0.00350 0.01330 0.03491 -0.06610 150 2PX 0.09315 -0.01929 -0.11686 -0.12742 -0.13074 151 2PY 0.03033 -0.00190 0.01354 0.00998 0.09497 152 2PZ -0.06194 -0.00163 0.09274 0.14258 0.03533 153 3S 0.08199 0.10800 -0.01673 -0.05909 0.05448 154 3PX 0.03074 -0.06130 -0.17631 -0.17290 -0.16568 155 3PY -0.45404 -0.11366 -0.20619 0.40177 -0.21735 156 3PZ -0.00064 -0.01418 0.10037 0.11200 0.12162 157 4XX 0.00319 0.00075 -0.00102 -0.00065 0.00477 158 4YY -0.00482 -0.00395 -0.00453 -0.00100 -0.01116 159 4ZZ 0.00202 0.00044 0.00460 0.00056 0.00775 160 4XY -0.00201 -0.00281 -0.00139 -0.00195 -0.00193 161 4XZ 0.00879 0.00155 0.00180 -0.00505 0.01245 162 4YZ -0.00088 0.00126 0.00017 0.00203 0.00137 163 17 C 1S -0.06531 0.00029 0.01707 0.02080 0.00742 164 2S 0.12398 0.00854 -0.02175 -0.06275 0.01402 165 2PX -0.12351 0.00311 0.11523 0.12602 0.14398 166 2PY 0.05337 0.01608 -0.01408 -0.01858 0.05375 167 2PZ -0.03016 -0.02174 -0.06848 -0.10418 -0.06958 168 3S 0.55467 -0.05146 -0.28679 0.15935 -0.43405 169 3PX -0.45294 -0.05073 0.17852 0.33883 0.17281 170 3PY 0.29525 -0.03811 -0.01489 -0.27592 0.36209 171 3PZ -0.54431 -0.12114 -0.12172 -0.07335 -0.23681 172 4XX -0.00367 0.00310 -0.00399 -0.00512 -0.00642 173 4YY -0.01103 -0.00121 0.00249 0.00565 0.00765 174 4ZZ -0.00162 0.00077 0.00582 0.00705 0.00000 175 4XY -0.00247 -0.00265 0.00446 0.00294 0.00689 176 4XZ -0.00298 -0.00127 -0.00081 0.00000 -0.00916 177 4YZ -0.00444 0.00558 -0.00028 -0.00138 -0.00009 178 18 H 1S 0.02677 -0.01739 -0.01821 -0.03012 0.01967 179 2S 1.03234 -0.15866 -0.10654 -0.14675 0.18106 180 19 H 1S 0.02761 -0.01196 -0.00793 -0.01187 0.05840 181 2S 0.46170 -0.05825 0.23454 -0.58295 1.47080 182 20 H 1S -0.02779 -0.01198 0.00792 0.01187 -0.05843 183 2S -0.46574 -0.05854 -0.23459 0.58291 -1.47039 184 21 H 1S -0.02580 -0.01741 0.01822 0.03013 -0.01994 185 2S -1.02115 -0.15906 0.10667 0.14682 -0.18278 186 22 O 1S -0.01531 -0.00339 -0.00788 0.01168 -0.00154 187 2S 0.01624 0.01081 0.00118 -0.00269 -0.01664 188 2PX -0.06385 -0.01628 0.03159 0.03823 0.08696 189 2PY 0.00566 0.01059 -0.00254 0.00655 0.01419 190 2PZ 0.01235 -0.01182 -0.02431 -0.07823 -0.00311 191 3S 0.30425 0.05175 0.18690 -0.26300 0.13719 192 3PX -0.06413 0.00617 0.05616 0.08789 0.07345 193 3PY -0.08548 -0.01616 -0.07593 0.06448 -0.02648 194 3PZ 0.02854 0.00039 -0.03902 -0.09053 -0.02881 195 4XX -0.00937 -0.00099 -0.00650 0.00840 -0.00401 196 4YY 0.00334 0.00503 0.00023 0.00238 -0.00420 197 4ZZ -0.00771 0.00180 -0.00519 0.01091 -0.00653 198 4XY -0.00003 0.00159 0.00462 0.00292 0.00418 199 4XZ -0.00060 -0.00092 -0.00024 -0.00081 -0.00071 200 4YZ 0.00140 -0.00063 -0.00395 -0.00347 -0.00200 201 23 O 1S 0.01530 -0.00338 0.00788 -0.01168 0.00158 202 2S -0.01617 0.01080 -0.00117 0.00270 0.01655 203 2PX 0.06324 -0.01625 -0.03160 -0.03824 -0.08687 204 2PY 0.00603 -0.01060 -0.00254 0.00656 0.01398 205 2PZ -0.01191 -0.01184 0.02430 0.07823 0.00310 206 3S -0.30477 0.05157 -0.18689 0.26307 -0.13768 207 3PX 0.06315 0.00621 -0.05616 -0.08791 -0.07334 208 3PY -0.08539 0.01612 -0.07592 0.06451 -0.02685 209 3PZ -0.02819 0.00037 0.03902 0.09052 0.02885 210 4XX 0.00938 -0.00098 0.00650 -0.00841 0.00402 211 4YY -0.00339 0.00503 -0.00023 -0.00238 0.00420 212 4ZZ 0.00772 0.00181 0.00519 -0.01091 0.00652 213 4XY 0.00004 -0.00160 0.00462 0.00292 0.00418 214 4XZ 0.00063 -0.00092 0.00024 0.00081 0.00070 215 4YZ 0.00142 0.00063 -0.00395 -0.00347 -0.00201 61 62 63 64 65 V V V V V Eigenvalues -- 0.17488 0.19695 0.19872 0.20671 0.21915 1 1 C 1S -0.02502 -0.00001 -0.06711 -0.00002 -0.06407 2 2S -0.00380 0.00001 0.03931 0.00001 0.05817 3 2PX -0.05454 -0.00005 0.05312 0.00002 0.19203 4 2PY -0.00013 0.27240 0.00005 -0.17789 -0.00001 5 2PZ 0.32880 0.00009 -0.14671 -0.00004 0.02335 6 3S 0.65582 0.00025 1.60120 0.00056 1.41614 7 3PX -0.04163 -0.00015 0.61932 0.00021 0.97560 8 3PY -0.00036 1.22526 0.00018 -0.47840 -0.00001 9 3PZ 1.30483 0.00037 -0.15657 -0.00001 0.35884 10 4XX 0.00265 0.00001 0.00385 0.00000 -0.00119 11 4YY -0.01785 -0.00001 -0.00539 0.00000 -0.02306 12 4ZZ 0.01100 0.00000 -0.00894 0.00000 0.01584 13 4XY -0.00001 -0.01739 0.00000 0.00255 0.00001 14 4XZ -0.00564 0.00000 -0.01064 0.00000 -0.00553 15 4YZ 0.00000 -0.02518 0.00000 0.01059 0.00000 16 2 H 1S 0.00920 0.00001 0.05725 0.00002 0.04389 17 2S -0.65828 -0.00018 0.20035 -0.00001 0.51024 18 3 H 1S 0.08492 0.00002 -0.04763 -0.00001 0.09105 19 2S 1.39701 0.00029 -1.01174 -0.00027 -0.09087 20 4 C 1S 0.01459 0.04838 0.00869 -0.03572 -0.00938 21 2S -0.00232 -0.05911 -0.00113 0.06472 0.02197 22 2PX 0.07648 0.10706 -0.00352 -0.11664 0.04783 23 2PY 0.02379 0.21266 0.09555 0.04578 0.10923 24 2PZ 0.07443 0.08177 0.04586 0.02224 0.19141 25 3S -0.39338 -1.02027 -0.26314 0.51182 0.18853 26 3PX 0.39791 0.29832 0.10309 -0.29525 0.30501 27 3PY 0.31822 0.81496 0.59695 0.30745 0.60613 28 3PZ 0.24504 0.11238 0.28638 -0.28686 0.95171 29 4XX 0.00183 0.00731 -0.00260 0.00126 -0.00244 30 4YY 0.01112 -0.00888 -0.00169 0.00062 0.01190 31 4ZZ -0.01201 0.01040 0.00377 -0.00707 -0.01221 32 4XY 0.01387 0.00730 -0.00377 -0.00658 0.00521 33 4XZ -0.00684 0.00204 -0.00074 -0.00690 -0.01056 34 4YZ 0.00355 0.01934 0.00641 -0.00547 0.01629 35 5 H 1S 0.03257 -0.09212 0.00222 -0.01005 0.01881 36 2S 0.05851 -0.53590 -0.37908 -0.63138 -0.34764 37 6 C 1S 0.00848 0.04460 0.01132 0.00423 0.04187 38 2S -0.01076 -0.08854 -0.00809 -0.03235 -0.07343 39 2PX 0.03732 -0.07141 -0.02358 0.05887 0.03963 40 2PY -0.00936 0.14011 -0.08082 -0.04484 -0.07881 41 2PZ 0.10479 -0.04179 -0.04694 -0.02599 0.09321 42 3S -0.03379 -0.58309 -0.34518 0.46366 -0.96712 43 3PX 0.05144 -0.29798 -0.06142 0.02811 0.10314 44 3PY -0.00509 0.49976 -0.24902 -0.47651 -0.45057 45 3PZ 0.22531 -0.49781 -0.17793 -0.25135 0.38897 46 4XX 0.00221 -0.00471 0.00041 0.00074 0.00249 47 4YY 0.00123 0.02700 0.00672 0.00040 -0.00267 48 4ZZ 0.00349 -0.01355 -0.00647 0.00518 0.00115 49 4XY 0.00540 -0.00341 -0.00069 0.00058 -0.00825 50 4XZ 0.00476 -0.00910 -0.00193 0.00889 0.00274 51 4YZ -0.01011 -0.01044 -0.00619 -0.00206 -0.02332 52 7 H 1S -0.02736 -0.04070 -0.02451 0.03371 -0.06703 53 2S -0.29755 0.30346 0.43831 0.33662 0.16219 54 8 C 1S 0.01461 -0.04839 0.00868 0.03572 -0.00938 55 2S -0.00233 0.05913 -0.00111 -0.06469 0.02196 56 2PX 0.07679 -0.10701 -0.00357 0.11667 0.04784 57 2PY -0.02352 0.21263 -0.09558 0.04574 -0.10930 58 2PZ 0.07439 -0.08168 0.04587 -0.02222 0.19145 59 3S -0.39427 1.02047 -0.26292 -0.51206 0.18850 60 3PX 0.39878 -0.29812 0.10300 0.29538 0.30506 61 3PY -0.31738 0.81475 -0.59713 0.30708 -0.60644 62 3PZ 0.24523 -0.11199 0.28625 0.28701 0.95168 63 4XX 0.00181 -0.00732 -0.00260 -0.00126 -0.00243 64 4YY 0.01112 0.00889 -0.00169 -0.00062 0.01190 65 4ZZ -0.01200 -0.01040 0.00376 0.00707 -0.01222 66 4XY -0.01388 0.00729 0.00378 -0.00659 -0.00521 67 4XZ -0.00683 -0.00204 -0.00074 0.00690 -0.01056 68 4YZ -0.00355 0.01933 -0.00641 -0.00547 -0.01629 69 9 H 1S 0.03259 0.09214 0.00222 0.01005 0.01879 70 2S 0.05997 0.53578 -0.37940 0.63117 -0.34796 71 10 C 1S 0.00853 -0.04458 0.01133 -0.00422 0.04187 72 2S -0.01083 0.08852 -0.00811 0.03235 -0.07344 73 2PX 0.03706 0.07139 -0.02356 -0.05886 0.03962 74 2PY 0.00942 0.14016 0.08084 -0.04480 0.07881 75 2PZ 0.10469 0.04187 -0.04694 0.02596 0.09327 76 3S -0.03518 0.58265 -0.34504 -0.46380 -0.96694 77 3PX 0.05082 0.29788 -0.06141 -0.02809 0.10306 78 3PY 0.00486 0.49995 0.24916 -0.47640 0.45057 79 3PZ 0.22503 0.49810 -0.17801 0.25120 0.38906 80 4XX 0.00220 0.00471 0.00041 -0.00074 0.00249 81 4YY 0.00122 -0.02700 0.00672 -0.00040 -0.00267 82 4ZZ 0.00350 0.01356 -0.00646 -0.00519 0.00115 83 4XY -0.00540 -0.00340 0.00069 0.00058 0.00825 84 4XZ 0.00475 0.00910 -0.00193 -0.00889 0.00274 85 4YZ 0.01011 -0.01044 0.00619 -0.00206 0.02332 86 11 H 1S -0.02735 0.04067 -0.02450 -0.03373 -0.06703 87 2S -0.29654 -0.30343 0.43842 -0.33639 0.16210 88 12 C 1S 0.00919 -0.00881 0.04939 -0.05263 -0.00981 89 2S -0.00271 0.03114 -0.08306 0.07289 0.00491 90 2PX -0.08494 0.05141 -0.07417 0.04584 0.06125 91 2PY 0.00508 0.01088 0.08094 -0.05392 -0.01679 92 2PZ -0.10697 -0.05848 0.01770 -0.22222 0.09953 93 3S -0.16903 -0.01542 -0.80471 0.84806 0.11635 94 3PX -0.30141 0.12464 -0.20462 -0.12536 0.20108 95 3PY 0.11312 -0.19017 0.33397 -0.33065 0.00471 96 3PZ -0.37696 -0.17220 -0.05557 -0.77141 0.29356 97 4XX 0.00690 -0.00251 0.00870 -0.00664 -0.00511 98 4YY -0.00178 -0.00626 -0.01090 -0.00813 0.00360 99 4ZZ -0.00207 0.00756 0.00821 0.00212 -0.00163 100 4XY -0.01068 -0.00231 -0.00897 -0.00094 0.00208 101 4XZ 0.00369 0.00065 0.01061 -0.00437 -0.00596 102 4YZ -0.02256 0.00263 -0.00416 0.00847 0.01122 103 13 C 1S -0.05316 0.00200 -0.08209 0.00612 0.05833 104 2S 0.06964 0.01929 0.11819 -0.02142 -0.09945 105 2PX -0.02685 -0.06039 0.03838 -0.00363 -0.01229 106 2PY 0.06538 -0.00463 0.14428 -0.05474 -0.08923 107 2PZ -0.04215 0.09499 0.04157 0.10292 -0.06151 108 3S 0.94113 -0.20631 1.39888 -0.02875 -0.90837 109 3PX -0.07269 -0.07066 0.08460 -0.07724 -0.05327 110 3PY 0.13550 0.13322 0.34164 -0.13685 -0.40903 111 3PZ -0.06060 0.15498 0.11247 0.15524 -0.19630 112 4XX 0.00447 -0.00290 -0.00325 -0.00092 0.00385 113 4YY -0.01242 0.00113 -0.00329 -0.00687 0.00910 114 4ZZ 0.00004 0.00158 -0.00753 0.00978 -0.00090 115 4XY 0.00528 -0.00179 -0.00099 0.00128 -0.00289 116 4XZ -0.00478 0.00203 -0.01416 0.00432 0.00507 117 4YZ -0.00065 -0.00023 -0.00260 -0.00343 0.00078 118 14 C 1S 0.01850 0.01415 0.04063 0.02840 -0.03023 119 2S -0.02003 -0.01928 -0.07478 -0.04588 0.02127 120 2PX -0.00205 0.01908 0.10561 -0.03090 -0.03043 121 2PY 0.04393 0.00938 0.04904 -0.02658 -0.04205 122 2PZ 0.03226 -0.06881 0.11096 -0.08142 -0.06303 123 3S -0.36534 -0.28656 -0.67132 -0.49525 0.64687 124 3PX 0.07622 0.00213 0.31280 -0.21436 -0.24266 125 3PY 0.16463 0.00633 0.32873 -0.03597 -0.27238 126 3PZ 0.09919 -0.18688 0.39063 -0.37326 -0.25904 127 4XX -0.00097 0.00488 0.00431 -0.00172 -0.00570 128 4YY -0.00298 0.00382 -0.01259 0.01424 0.00372 129 4ZZ 0.00547 -0.00455 0.01065 -0.00732 -0.00758 130 4XY 0.00510 0.00087 0.01734 0.00407 -0.01276 131 4XZ 0.00083 0.00106 0.01038 -0.00333 -0.00821 132 4YZ 0.00708 0.00357 0.01785 0.00447 -0.01257 133 15 C 1S 0.01874 -0.01414 0.04064 -0.02839 -0.03024 134 2S -0.02051 0.01929 -0.07481 0.04587 0.02129 135 2PX -0.00254 -0.01908 0.10560 0.03093 -0.03037 136 2PY -0.04426 0.00937 -0.04901 -0.02658 0.04202 137 2PZ 0.03208 0.06881 0.11092 0.08145 -0.06306 138 3S -0.36741 0.28649 -0.67157 0.49517 0.64673 139 3PX 0.07384 -0.00210 0.31271 0.21441 -0.24240 140 3PY -0.16643 0.00631 -0.32866 -0.03598 0.27235 141 3PZ 0.09728 0.18691 0.39044 0.37333 -0.25894 142 4XX -0.00097 -0.00488 0.00431 0.00172 -0.00570 143 4YY -0.00295 -0.00382 -0.01258 -0.01424 0.00372 144 4ZZ 0.00550 0.00455 0.01064 0.00732 -0.00758 145 4XY -0.00512 0.00086 -0.01734 0.00407 0.01276 146 4XZ 0.00085 -0.00106 0.01039 0.00333 -0.00821 147 4YZ -0.00709 0.00357 -0.01785 0.00446 0.01257 148 16 C 1S -0.05322 -0.00201 -0.08209 -0.00613 0.05833 149 2S 0.06986 -0.01926 0.11819 0.02144 -0.09944 150 2PX -0.02642 0.06038 0.03839 0.00367 -0.01238 151 2PY -0.06569 -0.00464 -0.14426 -0.05477 0.08922 152 2PZ -0.04222 -0.09500 0.04164 -0.10291 -0.06146 153 3S 0.94084 0.20648 1.39870 0.02881 -0.90815 154 3PX -0.07216 0.07062 0.08464 0.07732 -0.05347 155 3PY -0.13490 0.13317 -0.34155 -0.13682 0.40869 156 3PZ -0.06094 -0.15498 0.11258 -0.15519 -0.19614 157 4XX 0.00445 0.00290 -0.00325 0.00092 0.00384 158 4YY -0.01239 -0.00114 -0.00329 0.00687 0.00910 159 4ZZ 0.00002 -0.00158 -0.00752 -0.00979 -0.00090 160 4XY -0.00527 -0.00179 0.00099 0.00128 0.00289 161 4XZ -0.00482 -0.00202 -0.01416 -0.00433 0.00507 162 4YZ 0.00064 -0.00023 0.00260 -0.00343 -0.00078 163 17 C 1S 0.00914 0.00881 0.04939 0.05264 -0.00982 164 2S -0.00272 -0.03114 -0.08306 -0.07292 0.00494 165 2PX -0.08541 -0.05140 -0.07407 -0.04578 0.06129 166 2PY -0.00527 0.01087 -0.08092 -0.05397 0.01677 167 2PZ -0.10675 0.05845 0.01764 0.22224 0.09944 168 3S -0.16729 0.01530 -0.80466 -0.84831 0.11640 169 3PX -0.30198 -0.12466 -0.20437 0.12550 0.20104 170 3PY -0.11442 -0.19020 -0.33381 -0.33069 -0.00470 171 3PZ -0.37627 0.17211 -0.05576 0.77151 0.29317 172 4XX 0.00692 0.00252 0.00869 0.00665 -0.00511 173 4YY -0.00181 0.00625 -0.01090 0.00814 0.00359 174 4ZZ -0.00207 -0.00756 0.00821 -0.00212 -0.00162 175 4XY 0.01066 -0.00231 0.00898 -0.00095 -0.00208 176 4XZ 0.00372 -0.00065 0.01061 0.00437 -0.00596 177 4YZ 0.02256 0.00264 0.00415 0.00846 -0.01122 178 18 H 1S -0.07507 0.00934 0.03340 -0.03976 0.02179 179 2S -0.48721 -0.19264 0.49450 -1.31403 0.35466 180 19 H 1S -0.00849 0.00935 -0.03364 -0.00220 0.01659 181 2S 0.12980 0.27006 -0.10326 0.52902 -0.03853 182 20 H 1S -0.00830 -0.00935 -0.03364 0.00219 0.01660 183 2S 0.13477 -0.27005 -0.10298 -0.52906 -0.03867 184 21 H 1S -0.07499 -0.00935 0.03339 0.03979 0.02179 185 2S -0.48679 0.19257 0.49427 1.31439 0.35431 186 22 O 1S 0.01219 0.00748 0.00842 -0.00840 0.00019 187 2S -0.02475 -0.00270 -0.01269 0.02188 0.00526 188 2PX 0.02647 -0.00415 -0.00373 -0.01110 0.00536 189 2PY 0.05750 0.01760 0.04846 -0.01745 -0.03942 190 2PZ -0.00327 0.03212 -0.00164 0.08462 0.01795 191 3S -0.15484 -0.17183 -0.11688 0.09638 -0.06529 192 3PX 0.02814 -0.02079 -0.02394 -0.03031 0.01480 193 3PY 0.10886 0.07404 0.10118 -0.04564 -0.02083 194 3PZ 0.01442 0.04722 -0.02512 0.07733 0.03785 195 4XX 0.00471 0.00599 0.00257 -0.00171 0.00337 196 4YY 0.00047 0.00152 0.00094 0.00317 -0.00436 197 4ZZ -0.00001 0.00450 0.00304 -0.00014 0.00279 198 4XY -0.00022 -0.00246 -0.00181 0.00031 -0.00072 199 4XZ -0.00425 -0.00156 -0.00631 0.00058 0.00361 200 4YZ 0.00196 0.00320 0.00068 0.00227 0.00056 201 23 O 1S 0.01220 -0.00748 0.00842 0.00840 0.00020 202 2S -0.02482 0.00269 -0.01269 -0.02188 0.00524 203 2PX 0.02679 0.00415 -0.00373 0.01110 0.00533 204 2PY -0.05756 0.01759 -0.04846 -0.01744 0.03940 205 2PZ -0.00326 -0.03212 -0.00161 -0.08462 0.01798 206 3S -0.15451 0.17183 -0.11688 -0.09639 -0.06552 207 3PX 0.02840 0.02079 -0.02394 0.03030 0.01476 208 3PY -0.10883 0.07403 -0.10118 -0.04564 0.02075 209 3PZ 0.01435 -0.04722 -0.02508 -0.07735 0.03789 210 4XX 0.00470 -0.00599 0.00257 0.00171 0.00338 211 4YY 0.00046 -0.00152 0.00094 -0.00317 -0.00436 212 4ZZ -0.00003 -0.00450 0.00304 0.00014 0.00279 213 4XY 0.00020 -0.00246 0.00181 0.00031 0.00073 214 4XZ -0.00425 0.00156 -0.00631 -0.00058 0.00361 215 4YZ -0.00196 0.00320 -0.00068 0.00227 -0.00057 66 67 68 69 70 V V V V V Eigenvalues -- 0.25273 0.26950 0.29513 0.31836 0.33573 1 1 C 1S 0.00000 0.03832 -0.03746 -0.02884 -0.00001 2 2S 0.00001 0.06118 0.02295 -0.01699 -0.00001 3 2PX 0.00000 -0.03647 -0.01875 0.11441 0.00003 4 2PY -0.01068 -0.00004 0.00002 0.00000 -0.05279 5 2PZ 0.00000 -0.02395 0.06010 0.07169 0.00004 6 3S 0.00000 -1.47986 0.99107 0.96461 0.00052 7 3PX -0.00003 -0.77128 0.42793 0.72401 0.00021 8 3PY -0.25707 -0.00011 -0.00001 -0.00024 0.92128 9 3PZ -0.00010 -1.11135 0.61112 0.91007 0.00057 10 4XX 0.00000 0.00937 0.01231 -0.01987 0.00000 11 4YY -0.00001 -0.01081 -0.01195 -0.00161 0.00000 12 4ZZ 0.00000 0.00700 0.00085 0.01860 0.00000 13 4XY -0.00469 0.00000 0.00000 0.00001 -0.02536 14 4XZ 0.00000 0.01651 -0.01666 -0.00525 0.00000 15 4YZ 0.01296 0.00000 0.00000 0.00000 -0.02282 16 2 H 1S 0.00001 -0.02729 0.07739 -0.02387 0.00000 17 2S -0.00003 -0.10284 -0.12818 0.26068 0.00004 18 3 H 1S 0.00001 0.01247 0.00383 0.10435 0.00004 19 2S -0.00004 -0.32081 0.15194 0.56611 0.00032 20 4 C 1S -0.01580 -0.05956 0.03895 0.03964 0.04106 21 2S -0.00720 0.03302 0.00196 -0.02132 0.04263 22 2PX -0.08970 0.05553 0.08498 -0.01350 0.11696 23 2PY -0.00020 -0.10737 0.07836 0.07528 0.13508 24 2PZ -0.00813 0.15666 -0.03227 -0.06726 0.14657 25 3S 0.44611 1.87528 -1.04207 -1.24770 -1.48673 26 3PX -0.07722 -0.00822 0.03905 0.04116 -0.02441 27 3PY -0.03540 -1.27571 0.55625 0.83145 1.16683 28 3PZ -0.01550 0.78129 -0.15691 -0.17588 -0.52698 29 4XX 0.00272 -0.00841 -0.00600 0.00907 0.00319 30 4YY -0.00283 0.01041 0.01024 0.00051 -0.00029 31 4ZZ -0.00634 -0.00642 0.00686 -0.00607 0.00583 32 4XY 0.00984 -0.00621 -0.00163 0.00896 -0.01060 33 4XZ -0.00451 0.00667 0.00001 -0.00914 0.00108 34 4YZ -0.00261 0.00413 -0.00299 0.00027 -0.02429 35 5 H 1S -0.02516 0.02813 0.06480 -0.00634 0.04444 36 2S -0.18025 0.68064 -0.14008 -0.34175 -0.56786 37 6 C 1S -0.01143 0.04228 -0.01010 -0.01456 -0.06949 38 2S 0.00673 -0.01516 0.03154 -0.02772 0.03590 39 2PX 0.01027 0.03242 0.01408 0.03984 -0.03857 40 2PY -0.01328 0.05199 -0.00449 -0.04234 -0.11142 41 2PZ 0.05634 0.08459 -0.07020 0.00545 -0.12038 42 3S 0.16837 -1.28692 0.29949 0.56683 2.99121 43 3PX 0.16761 0.25380 -0.14346 -0.14311 -0.43214 44 3PY -0.02431 -0.25603 -0.01524 0.07379 -2.10124 45 3PZ 0.19667 1.04545 -0.40973 -0.54576 -1.17282 46 4XX 0.00167 -0.00434 0.00053 0.00477 -0.00931 47 4YY -0.00576 -0.01456 0.00900 0.00638 -0.00022 48 4ZZ -0.00294 0.02749 -0.00360 -0.01783 0.02104 49 4XY 0.00094 -0.01156 0.00295 0.00409 -0.00278 50 4XZ 0.00561 -0.00090 -0.00311 0.00021 0.00626 51 4YZ 0.00184 -0.01116 0.01100 0.00457 -0.00926 52 7 H 1S -0.00756 -0.00740 0.04295 0.00881 0.01396 53 2S -0.25901 -0.30956 0.24569 0.17986 1.01861 54 8 C 1S 0.01577 -0.05957 0.03896 0.03966 -0.04102 55 2S 0.00724 0.03301 0.00197 -0.02128 -0.04265 56 2PX 0.08974 0.05555 0.08498 -0.01340 -0.11697 57 2PY -0.00020 0.10732 -0.07836 -0.07535 0.13500 58 2PZ 0.00820 0.15670 -0.03228 -0.06718 -0.14662 59 3S -0.44543 1.87544 -1.04238 -1.24857 1.48551 60 3PX 0.07739 -0.00827 0.03910 0.04126 0.02431 61 3PY -0.03522 1.27561 -0.55639 -0.83199 1.16588 62 3PZ 0.01591 0.78163 -0.15717 -0.17624 0.52686 63 4XX -0.00272 -0.00841 -0.00600 0.00907 -0.00318 64 4YY 0.00284 0.01041 0.01024 0.00051 0.00030 65 4ZZ 0.00633 -0.00643 0.00687 -0.00607 -0.00584 66 4XY 0.00984 0.00620 0.00163 -0.00895 -0.01060 67 4XZ 0.00451 0.00667 0.00001 -0.00913 -0.00108 68 4YZ -0.00261 -0.00413 0.00299 -0.00026 -0.02429 69 9 H 1S 0.02517 0.02813 0.06478 -0.00632 -0.04440 70 2S 0.18027 0.68050 -0.14014 -0.34195 0.56740 71 10 C 1S 0.01145 0.04229 -0.01011 -0.01459 0.06947 72 2S -0.00675 -0.01518 0.03153 -0.02769 -0.03592 73 2PX -0.01027 0.03243 0.01407 0.03983 0.03863 74 2PY -0.01326 -0.05201 0.00451 0.04240 -0.11137 75 2PZ -0.05630 0.08465 -0.07025 0.00535 0.12038 76 3S -0.16900 -1.28726 0.29995 0.56832 -2.99058 77 3PX -0.16752 0.25370 -0.14355 -0.14334 0.43233 78 3PY -0.02414 0.25580 0.01551 -0.07260 -2.10134 79 3PZ -0.19629 1.04574 -0.41010 -0.54643 1.17208 80 4XX -0.00168 -0.00434 0.00053 0.00477 0.00932 81 4YY 0.00576 -0.01455 0.00900 0.00639 0.00023 82 4ZZ 0.00295 0.02749 -0.00361 -0.01782 -0.02106 83 4XY 0.00094 0.01156 -0.00295 -0.00409 -0.00278 84 4XZ -0.00561 -0.00091 -0.00311 0.00021 -0.00626 85 4YZ 0.00185 0.01115 -0.01099 -0.00456 -0.00927 86 11 H 1S 0.00754 -0.00740 0.04295 0.00883 -0.01395 87 2S 0.25900 -0.30973 0.24596 0.18051 -1.01843 88 12 C 1S -0.04400 -0.00967 0.00554 -0.05762 -0.00990 89 2S 0.09397 0.01510 0.00424 0.04581 -0.01899 90 2PX 0.05080 0.00618 0.05770 0.09834 -0.08076 91 2PY 0.19625 -0.06453 -0.08103 -0.08912 0.12881 92 2PZ -0.05473 -0.01855 -0.03617 0.03776 0.01795 93 3S 0.42349 0.26982 -0.33058 1.52639 0.68370 94 3PX -0.43236 -0.03331 -0.43001 0.35730 0.04643 95 3PY 0.73183 -0.30964 -0.06617 -0.75818 0.92976 96 3PZ -0.54642 -0.14216 -0.35835 0.30847 0.04741 97 4XX 0.00573 -0.00704 0.00848 -0.00636 0.00190 98 4YY -0.03274 -0.00656 -0.00825 0.00083 -0.01585 99 4ZZ 0.01840 0.01241 0.00530 -0.00308 0.00627 100 4XY 0.00013 0.00803 0.01001 0.03311 0.00576 101 4XZ 0.00948 0.00106 0.02141 -0.00580 -0.00030 102 4YZ 0.00320 0.01391 0.00442 0.03000 -0.00049 103 13 C 1S -0.00820 -0.00965 0.02978 0.02474 -0.03577 104 2S 0.01792 0.05928 -0.00270 -0.05516 -0.01063 105 2PX -0.04421 0.08552 -0.08277 0.31839 0.05732 106 2PY 0.13841 0.07930 0.11019 -0.00889 0.00558 107 2PZ 0.08082 0.17324 -0.09211 0.26133 0.02025 108 3S 0.49498 -0.04127 -0.84288 -0.39742 1.05529 109 3PX -0.24290 0.23531 -0.46661 0.94444 0.06527 110 3PY 1.30316 0.88419 1.64228 0.02471 -0.52837 111 3PZ 0.22713 0.46102 -0.10568 0.95458 0.00396 112 4XX -0.01599 -0.00169 -0.00906 0.00183 -0.00412 113 4YY 0.02280 -0.00056 0.00538 0.00196 0.00476 114 4ZZ -0.01461 -0.00170 -0.00627 -0.00258 -0.00902 115 4XY -0.00729 -0.00067 0.00023 -0.00600 -0.00792 116 4XZ -0.00307 0.00787 0.01385 0.00581 -0.02219 117 4YZ -0.00003 -0.00010 0.00132 -0.00517 -0.00633 118 14 C 1S -0.01297 0.02518 -0.01496 0.03097 0.01680 119 2S 0.07120 0.00113 0.04964 -0.01401 -0.07220 120 2PX 0.06782 0.02341 -0.00327 0.02491 0.07973 121 2PY 0.11386 -0.02075 -0.12883 0.03399 0.02484 122 2PZ 0.00251 0.01212 -0.02322 0.02206 0.12885 123 3S -0.12896 -0.70137 0.32595 -1.09269 0.34628 124 3PX 0.64431 0.31951 0.23780 0.19793 0.16019 125 3PY 0.34105 0.25248 -0.41894 0.59091 0.42571 126 3PZ 0.52268 0.36300 0.19731 0.29140 0.22035 127 4XX 0.01455 0.00706 0.01101 -0.00146 -0.00351 128 4YY -0.01973 -0.00305 -0.00556 0.00261 0.00219 129 4ZZ 0.00891 0.00956 0.00912 0.00470 0.00088 130 4XY -0.00327 0.00920 -0.02001 0.01686 -0.00187 131 4XZ 0.01283 0.01387 0.01554 0.00384 0.00512 132 4YZ -0.00083 0.00926 -0.02308 0.02472 -0.00526 133 15 C 1S 0.01296 0.02517 -0.01495 0.03099 -0.01678 134 2S -0.07118 0.00113 0.04962 -0.01410 0.07221 135 2PX -0.06784 0.02343 -0.00328 0.02498 -0.07972 136 2PY 0.11388 0.02072 0.12887 -0.03395 0.02482 137 2PZ -0.00254 0.01213 -0.02321 0.02217 -0.12885 138 3S 0.12924 -0.70141 0.32577 -1.09251 -0.34691 139 3PX -0.64439 0.31968 0.23767 0.19793 -0.16011 140 3PY 0.34111 -0.25247 0.41926 -0.59082 0.42537 141 3PZ -0.52277 0.36317 0.19723 0.29139 -0.22018 142 4XX -0.01455 0.00706 0.01100 -0.00147 0.00351 143 4YY 0.01973 -0.00306 -0.00555 0.00261 -0.00219 144 4ZZ -0.00892 0.00957 0.00911 0.00469 -0.00088 145 4XY -0.00327 -0.00920 0.02001 -0.01686 -0.00188 146 4XZ -0.01283 0.01387 0.01553 0.00384 -0.00511 147 4YZ -0.00083 -0.00926 0.02308 -0.02471 -0.00527 148 16 C 1S 0.00820 -0.00966 0.02979 0.02470 0.03580 149 2S -0.01791 0.05927 -0.00272 -0.05517 0.01058 150 2PX 0.04413 0.08552 -0.08273 0.31838 -0.05713 151 2PY 0.13842 -0.07932 -0.11017 0.00897 0.00558 152 2PZ -0.08088 0.17323 -0.09207 0.26132 -0.02009 153 3S -0.49519 -0.04084 -0.84306 -0.39670 -1.05579 154 3PX 0.24258 0.23529 -0.46643 0.94443 -0.06466 155 3PY 1.30326 -0.88447 -1.64216 -0.02371 -0.52855 156 3PZ -0.22724 0.46096 -0.10577 0.95444 -0.00332 157 4XX 0.01599 -0.00170 -0.00906 0.00183 0.00412 158 4YY -0.02280 -0.00056 0.00538 0.00196 -0.00476 159 4ZZ 0.01462 -0.00170 -0.00626 -0.00257 0.00902 160 4XY -0.00729 0.00067 -0.00023 0.00600 -0.00792 161 4XZ 0.00307 0.00787 0.01386 0.00580 0.02220 162 4YZ -0.00003 0.00010 -0.00131 0.00518 -0.00633 163 17 C 1S 0.04402 -0.00966 0.00552 -0.05762 0.00985 164 2S -0.09398 0.01512 0.00430 0.04578 0.01902 165 2PX -0.05078 0.00615 0.05772 0.09821 0.08081 166 2PY 0.19622 0.06451 0.08101 0.08902 0.12891 167 2PZ 0.05471 -0.01857 -0.03613 0.03774 -0.01792 168 3S -0.42369 0.26961 -0.33029 1.52714 -0.68267 169 3PX 0.43236 -0.03371 -0.42990 0.35720 -0.04618 170 3PY 0.73177 0.30958 0.06585 0.75746 0.93027 171 3PZ 0.54639 -0.14241 -0.35824 0.30866 -0.04733 172 4XX -0.00573 -0.00703 0.00848 -0.00636 -0.00190 173 4YY 0.03274 -0.00656 -0.00825 0.00081 0.01585 174 4ZZ -0.01839 0.01241 0.00531 -0.00308 -0.00627 175 4XY 0.00013 -0.00804 -0.01001 -0.03311 0.00574 176 4XZ -0.00948 0.00106 0.02142 -0.00580 0.00029 177 4YZ 0.00320 -0.01391 -0.00442 -0.03000 -0.00051 178 18 H 1S 0.04720 0.06456 0.04593 0.06887 0.01920 179 2S -0.17123 -0.20783 -0.32587 -0.39870 0.33370 180 19 H 1S 0.05904 -0.00261 0.10354 -0.06983 0.02964 181 2S -0.24913 -0.06443 -0.49221 0.22267 -0.17846 182 20 H 1S -0.05902 -0.00261 0.10353 -0.06983 -0.02967 183 2S 0.24906 -0.06452 -0.49224 0.22250 0.17855 184 21 H 1S -0.04719 0.06456 0.04594 0.06886 -0.01914 185 2S 0.17140 -0.20803 -0.32575 -0.39851 -0.33400 186 22 O 1S 0.05913 -0.03433 -0.07691 -0.00769 -0.02618 187 2S -0.09240 0.02615 0.06725 0.01146 0.00183 188 2PX 0.01306 -0.02889 0.01217 -0.06437 0.00937 189 2PY 0.11377 -0.03244 -0.10480 -0.02122 -0.02663 190 2PZ 0.02653 -0.02404 0.02445 -0.07090 0.01674 191 3S -0.98665 0.72169 1.57261 0.11197 0.66965 192 3PX 0.04020 -0.10316 -0.03247 -0.21448 -0.01293 193 3PY 0.40886 -0.27134 -0.63870 -0.05654 -0.27258 194 3PZ 0.01252 -0.06621 0.11396 -0.19214 0.04527 195 4XX 0.02357 -0.02323 -0.04471 -0.00269 -0.01845 196 4YY -0.00387 0.00200 0.00078 -0.00036 -0.00395 197 4ZZ 0.02482 -0.02237 -0.04830 -0.00401 -0.02105 198 4XY -0.00406 0.00264 0.00856 -0.00602 0.00792 199 4XZ 0.00665 -0.00028 0.00092 0.00093 0.00889 200 4YZ 0.00505 -0.00639 -0.00310 -0.00479 -0.00153 201 23 O 1S -0.05913 -0.03433 -0.07691 -0.00773 0.02616 202 2S 0.09240 0.02615 0.06725 0.01149 -0.00181 203 2PX -0.01305 -0.02890 0.01219 -0.06436 -0.00942 204 2PY 0.11377 0.03243 0.10480 0.02128 -0.02660 205 2PZ -0.02652 -0.02404 0.02447 -0.07088 -0.01678 206 3S 0.98666 0.72156 1.57270 0.11289 -0.66940 207 3PX -0.04019 -0.10319 -0.03251 -0.21455 0.01281 208 3PY 0.40887 0.27129 0.63871 0.05690 -0.27245 209 3PZ -0.01249 -0.06623 0.11398 -0.19210 -0.04539 210 4XX -0.02357 -0.02323 -0.04471 -0.00271 0.01844 211 4YY 0.00387 0.00200 0.00078 -0.00036 0.00395 212 4ZZ -0.02482 -0.02236 -0.04831 -0.00404 0.02105 213 4XY -0.00407 -0.00265 -0.00857 0.00601 0.00792 214 4XZ -0.00665 -0.00028 0.00092 0.00094 -0.00889 215 4YZ 0.00505 0.00639 0.00310 0.00479 -0.00153 71 72 73 74 75 V V V V V Eigenvalues -- 0.34534 0.36194 0.37930 0.43061 0.44858 1 1 C 1S -0.00001 0.00000 0.00000 0.00939 0.00000 2 2S 0.00001 0.00000 0.00000 -0.03472 -0.00002 3 2PX 0.00000 0.00000 -0.00002 0.02382 0.00001 4 2PY 0.07829 -0.12499 0.26871 -0.00003 -0.11977 5 2PZ 0.00002 -0.00002 0.00001 -0.02003 -0.00003 6 3S 0.00015 0.00008 -0.00001 0.11321 0.00009 7 3PX 0.00012 -0.00001 -0.00013 -0.11437 0.00003 8 3PY -0.24475 0.25027 0.95423 -0.00003 -0.00578 9 3PZ 0.00015 0.00009 -0.00002 0.05208 0.00004 10 4XX 0.00000 0.00000 0.00000 -0.00258 -0.00001 11 4YY 0.00000 0.00000 -0.00001 0.01598 0.00000 12 4ZZ 0.00000 0.00000 0.00000 -0.00183 0.00000 13 4XY 0.00621 0.00163 -0.02604 0.00000 0.00401 14 4XZ 0.00000 0.00000 0.00000 0.00761 0.00000 15 4YZ 0.01040 -0.00602 0.01417 0.00000 0.00033 16 2 H 1S 0.00001 0.00001 -0.00001 -0.07611 0.00000 17 2S 0.00000 -0.00003 0.00002 -0.05615 0.00002 18 3 H 1S 0.00001 -0.00001 0.00001 -0.00217 -0.00001 19 2S 0.00011 -0.00001 -0.00004 0.04638 -0.00004 20 4 C 1S -0.01185 0.02120 -0.03317 0.00893 0.00813 21 2S 0.00918 -0.01030 -0.03535 -0.06900 -0.05439 22 2PX -0.03719 -0.03965 0.13071 -0.01974 -0.05349 23 2PY -0.04990 0.02559 0.03690 -0.06098 0.00677 24 2PZ -0.02790 0.00221 0.17813 -0.11302 -0.09109 25 3S 0.43029 -0.88164 1.48069 -0.16870 -0.44572 26 3PX 0.08058 -0.09339 0.71845 -0.08820 -0.14880 27 3PY -0.31240 0.70219 -0.12746 0.17395 0.30183 28 3PZ 0.19642 -0.48300 1.80160 -0.01900 -0.38418 29 4XX -0.00555 0.00020 0.01037 0.01666 0.00587 30 4YY 0.00402 -0.00622 0.00782 -0.02107 -0.01189 31 4ZZ 0.00265 0.00013 -0.02932 0.00393 -0.00655 32 4XY 0.01424 -0.00433 0.01188 0.00478 -0.00602 33 4XZ 0.00417 -0.00887 -0.00089 -0.01110 -0.01216 34 4YZ 0.00323 -0.01491 0.00643 0.00746 -0.00203 35 5 H 1S -0.01207 0.01242 0.02787 -0.06670 -0.02443 36 2S 0.14020 -0.33624 0.17573 0.00327 -0.17458 37 6 C 1S 0.01882 -0.05800 0.01584 -0.01707 -0.03071 38 2S 0.00151 -0.01609 -0.01483 -0.32512 -0.04389 39 2PX 0.01132 -0.11050 0.00351 -0.28282 -0.11055 40 2PY 0.03047 -0.10540 -0.23480 0.10987 -0.04923 41 2PZ 0.01116 -0.01963 0.22689 0.06753 0.03579 42 3S -0.79964 2.11972 -0.72850 0.56418 0.92790 43 3PX 0.10449 -0.16480 0.36761 0.20847 -0.00451 44 3PY 0.42436 -1.10399 -1.36718 -0.06825 -0.08846 45 3PZ 0.34134 -0.88205 1.78106 -0.12718 -0.59508 46 4XX 0.00257 -0.00008 0.00184 0.01826 0.00648 47 4YY 0.00317 -0.01696 -0.02207 -0.05284 -0.01697 48 4ZZ -0.00515 0.00109 0.01207 -0.05042 -0.01238 49 4XY 0.00198 -0.00308 -0.00001 0.01185 -0.00443 50 4XZ 0.00154 0.00390 -0.00415 -0.02138 -0.00444 51 4YZ 0.00210 -0.00188 0.00265 -0.02076 0.00069 52 7 H 1S 0.00684 -0.04678 0.02363 -0.19905 -0.08294 53 2S -0.20670 0.50664 -0.29256 -0.01573 0.14477 54 8 C 1S 0.01187 -0.02120 0.03316 0.00893 -0.00813 55 2S -0.00919 0.01029 0.03536 -0.06895 0.05440 56 2PX 0.03722 0.03964 -0.13073 -0.01968 0.05344 57 2PY -0.04995 0.02558 0.03692 0.06100 0.00681 58 2PZ 0.02782 -0.00224 -0.17811 -0.11302 0.09119 59 3S -0.43071 0.88136 -1.48008 -0.16854 0.44560 60 3PX -0.08051 0.09325 -0.71831 -0.08818 0.14877 61 3PY -0.31269 0.70198 -0.12720 -0.17395 0.30172 62 3PZ -0.19655 0.48287 -1.80120 -0.01875 0.38414 63 4XX 0.00555 -0.00019 -0.01038 0.01666 -0.00587 64 4YY -0.00401 0.00622 -0.00781 -0.02106 0.01187 65 4ZZ -0.00265 -0.00014 0.02932 0.00392 0.00656 66 4XY 0.01424 -0.00433 0.01188 -0.00477 -0.00603 67 4XZ -0.00417 0.00887 0.00089 -0.01109 0.01215 68 4YZ 0.00323 -0.01490 0.00643 -0.00747 -0.00202 69 9 H 1S 0.01211 -0.01241 -0.02788 -0.06667 0.02436 70 2S -0.14033 0.33609 -0.17560 0.00329 0.17456 71 10 C 1S -0.01883 0.05800 -0.01583 -0.01706 0.03071 72 2S -0.00152 0.01609 0.01479 -0.32511 0.04391 73 2PX -0.01133 0.11051 -0.00348 -0.28279 0.11058 74 2PY 0.03048 -0.10538 -0.23482 -0.10989 -0.04921 75 2PZ -0.01115 0.01961 -0.22692 0.06753 -0.03581 76 3S 0.79986 -2.11945 0.72789 0.56396 -0.92788 77 3PX -0.10463 0.16493 -0.36720 0.20852 0.00451 78 3PY 0.42433 -1.10409 -1.36687 0.06839 -0.08847 79 3PZ -0.34153 0.88174 -1.78080 -0.12687 0.59507 80 4XX -0.00257 0.00008 -0.00183 0.01827 -0.00648 81 4YY -0.00316 0.01696 0.02206 -0.05285 0.01696 82 4ZZ 0.00514 -0.00110 -0.01207 -0.05041 0.01239 83 4XY 0.00198 -0.00309 -0.00001 -0.01183 -0.00443 84 4XZ -0.00155 -0.00390 0.00415 -0.02139 0.00445 85 4YZ 0.00209 -0.00188 0.00266 0.02076 0.00070 86 11 H 1S -0.00683 0.04680 -0.02368 -0.19904 0.08295 87 2S 0.20678 -0.50657 0.29250 -0.01581 -0.14474 88 12 C 1S -0.09233 -0.02306 0.01161 0.00427 0.07173 89 2S 0.12107 0.10206 0.01751 -0.17192 0.01273 90 2PX 0.10765 0.17050 0.05032 -0.03761 0.03534 91 2PY 0.15523 -0.09346 -0.05688 -0.04335 -0.16248 92 2PZ 0.14752 0.17507 -0.02275 -0.15282 -0.01335 93 3S 1.99509 -0.43934 -0.48258 0.12868 -2.96186 94 3PX 0.46242 0.61073 -0.27760 -0.02575 -0.74179 95 3PY 1.40003 -0.93045 -0.24774 0.09131 -1.99835 96 3PZ 0.63596 0.56149 -0.24499 0.02032 -0.79350 97 4XX 0.00789 -0.00199 0.00753 -0.00923 -0.00277 98 4YY -0.02737 0.00490 0.00966 -0.02853 0.01291 99 4ZZ 0.00724 -0.00216 -0.01062 0.01613 -0.00616 100 4XY 0.00054 -0.00644 -0.00395 0.01381 -0.00291 101 4XZ -0.00636 -0.00482 0.00665 -0.00925 0.01026 102 4YZ -0.00204 -0.00055 0.00064 0.01290 0.00179 103 13 C 1S 0.02368 0.09918 -0.00151 0.00471 -0.07625 104 2S -0.03231 -0.04328 0.03058 -0.24958 0.26805 105 2PX 0.11455 0.02628 -0.06569 0.10035 0.13332 106 2PY -0.05258 0.02681 0.00276 -0.05630 0.13272 107 2PZ 0.11917 0.01113 -0.04399 -0.17052 0.12540 108 3S -0.59343 -2.63874 -0.07737 0.42931 1.02235 109 3PX 0.12352 -0.03449 -0.19576 -0.07772 0.10975 110 3PY -0.47693 0.43742 0.40106 -0.09932 2.43325 111 3PZ -0.05867 0.05137 -0.12124 0.07259 0.52239 112 4XX -0.00032 0.00165 -0.00217 -0.01492 0.02219 113 4YY -0.00118 0.01084 -0.00531 -0.00075 -0.04156 114 4ZZ 0.00578 0.00510 0.01100 -0.02841 0.02255 115 4XY -0.02335 -0.00490 0.00272 0.00008 0.00158 116 4XZ 0.00361 0.03767 0.01201 -0.03322 0.02496 117 4YZ -0.02251 0.00641 -0.00233 0.00213 -0.01657 118 14 C 1S 0.06711 -0.02618 0.00926 -0.00694 0.11288 119 2S -0.11377 0.13158 0.01598 -0.31638 -0.03850 120 2PX 0.08301 -0.18294 -0.00089 0.26949 0.05879 121 2PY -0.18408 -0.09973 -0.04377 -0.11660 -0.15873 122 2PZ 0.07477 -0.15419 -0.04361 -0.11140 0.13731 123 3S -1.59277 -0.41356 -0.76034 0.29589 -3.68804 124 3PX -0.02547 -0.44395 0.02588 -0.16965 1.25026 125 3PY -1.62846 -0.78149 -0.73451 0.17569 -1.60253 126 3PZ 0.01858 -0.61126 -0.00102 0.09391 1.35533 127 4XX -0.01203 0.00128 0.00069 -0.00582 -0.01130 128 4YY 0.03685 0.01336 0.00184 -0.05472 0.04533 129 4ZZ -0.01414 0.00182 -0.00370 -0.01405 0.00367 130 4XY -0.00071 0.00443 -0.00014 -0.00058 0.00494 131 4XZ -0.00497 -0.00112 -0.00404 -0.02154 0.02170 132 4YZ 0.00084 0.00633 0.00056 -0.02107 0.00531 133 15 C 1S -0.06711 0.02617 -0.00926 -0.00694 -0.11288 134 2S 0.11378 -0.13157 -0.01602 -0.31638 0.03847 135 2PX -0.08298 0.18294 0.00093 0.26949 -0.05881 136 2PY -0.18408 -0.09969 -0.04377 0.11662 -0.15872 137 2PZ -0.07479 0.15419 0.04360 -0.11140 -0.13725 138 3S 1.59261 0.41377 0.76036 0.29576 3.68809 139 3PX 0.02577 0.44403 -0.02582 -0.16958 -1.25000 140 3PY -1.62848 -0.78128 -0.73455 -0.17568 -1.60270 141 3PZ -0.01845 0.61125 0.00103 0.09398 -1.35532 142 4XX 0.01204 -0.00128 -0.00069 -0.00583 0.01130 143 4YY -0.03685 -0.01336 -0.00184 -0.05472 -0.04534 144 4ZZ 0.01414 -0.00182 0.00370 -0.01405 -0.00367 145 4XY -0.00070 0.00444 -0.00014 0.00059 0.00496 146 4XZ 0.00497 0.00112 0.00404 -0.02154 -0.02170 147 4YZ 0.00084 0.00633 0.00056 0.02107 0.00531 148 16 C 1S -0.02369 -0.09919 0.00151 0.00471 0.07625 149 2S 0.03232 0.04330 -0.03061 -0.24962 -0.26809 150 2PX -0.11450 -0.02633 0.06572 0.10039 -0.13337 151 2PY -0.05261 0.02679 0.00278 0.05631 0.13271 152 2PZ -0.11919 -0.01123 0.04399 -0.17054 -0.12538 153 3S 0.59346 2.63908 0.07731 0.42935 -1.02227 154 3PX -0.12348 0.03416 0.19580 -0.07773 -0.11000 155 3PY -0.47733 0.43720 0.40124 0.09918 2.43327 156 3PZ 0.05879 -0.05170 0.12132 0.07268 -0.52247 157 4XX 0.00032 -0.00164 0.00217 -0.01491 -0.02219 158 4YY 0.00117 -0.01085 0.00531 -0.00076 0.04156 159 4ZZ -0.00578 -0.00510 -0.01100 -0.02842 -0.02256 160 4XY -0.02334 -0.00490 0.00272 -0.00008 0.00156 161 4XZ -0.00360 -0.03767 -0.01201 -0.03322 -0.02496 162 4YZ -0.02252 0.00640 -0.00233 -0.00214 -0.01658 163 17 C 1S 0.09233 0.02308 -0.01161 0.00427 -0.07172 164 2S -0.12107 -0.10208 -0.01750 -0.17188 -0.01276 165 2PX -0.10761 -0.17050 -0.05030 -0.03760 -0.03537 166 2PY 0.15526 -0.09349 -0.05689 0.04332 -0.16254 167 2PZ -0.14755 -0.17508 0.02274 -0.15278 0.01335 168 3S -1.99505 0.43873 0.48274 0.12846 2.96185 169 3PX -0.46250 -0.61094 0.27765 -0.02569 0.74174 170 3PY 1.40001 -0.93078 -0.24764 -0.09115 -1.99822 171 3PZ -0.63621 -0.56161 0.24514 0.02027 0.79374 172 4XX -0.00790 0.00199 -0.00753 -0.00923 0.00278 173 4YY 0.02736 -0.00491 -0.00965 -0.02854 -0.01290 174 4ZZ -0.00723 0.00216 0.01062 0.01612 0.00614 175 4XY 0.00053 -0.00643 -0.00395 -0.01381 -0.00292 176 4XZ 0.00636 0.00482 -0.00665 -0.00925 -0.01026 177 4YZ -0.00205 -0.00054 0.00063 -0.01289 0.00180 178 18 H 1S -0.03816 -0.01693 -0.02214 0.04973 0.06845 179 2S 0.59647 0.37107 -0.28981 -0.14565 -0.55148 180 19 H 1S -0.01381 -0.02743 -0.01106 -0.02098 0.14086 181 2S -0.43377 0.32553 -0.10112 -0.09188 -0.86613 182 20 H 1S 0.01381 0.02745 0.01105 -0.02098 -0.14084 183 2S 0.43374 -0.32561 0.10114 -0.09191 0.86606 184 21 H 1S 0.03818 0.01691 0.02216 0.04970 -0.06849 185 2S -0.59669 -0.37101 0.28983 -0.14564 0.55161 186 22 O 1S -0.00999 0.05219 0.00781 0.00504 0.03133 187 2S 0.00827 -0.03924 0.01081 0.03541 0.08634 188 2PX 0.12232 0.01388 0.00643 0.01004 -0.00538 189 2PY -0.00206 0.11851 -0.01496 -0.03605 -0.12633 190 2PZ 0.10876 -0.01584 0.01682 0.01057 0.03984 191 3S 0.22783 -1.07783 -0.29216 -0.23732 -1.42447 192 3PX 0.09441 0.07451 -0.01229 0.01962 0.14748 193 3PY -0.07093 0.51613 0.09024 0.09070 0.38762 194 3PZ 0.09815 -0.04637 -0.03008 -0.00558 0.02917 195 4XX -0.00028 0.03057 0.01117 0.01639 0.05214 196 4YY 0.00080 0.01272 0.00117 0.00939 -0.00142 197 4ZZ -0.01277 0.02944 0.00736 0.01627 0.05364 198 4XY 0.01066 -0.00304 -0.00428 -0.00735 -0.00313 199 4XZ -0.00229 -0.01636 -0.00369 -0.00569 -0.00682 200 4YZ 0.01064 0.00406 0.00101 0.01185 0.01330 201 23 O 1S 0.00997 -0.05220 -0.00780 0.00505 -0.03133 202 2S -0.00826 0.03924 -0.01081 0.03541 -0.08634 203 2PX -0.12234 -0.01389 -0.00643 0.01004 0.00543 204 2PY -0.00207 0.11850 -0.01495 0.03605 -0.12632 205 2PZ -0.10876 0.01587 -0.01683 0.01057 -0.03983 206 3S -0.22754 1.07791 0.29206 -0.23740 1.42444 207 3PX -0.09443 -0.07451 0.01227 0.01963 -0.14751 208 3PY -0.07083 0.51614 0.09020 -0.09072 0.38759 209 3PZ -0.09815 0.04645 0.03007 -0.00557 -0.02914 210 4XX 0.00027 -0.03056 -0.01116 0.01639 -0.05214 211 4YY -0.00080 -0.01271 -0.00117 0.00940 0.00142 212 4ZZ 0.01276 -0.02944 -0.00736 0.01627 -0.05364 213 4XY 0.01066 -0.00305 -0.00428 0.00735 -0.00314 214 4XZ 0.00228 0.01636 0.00369 -0.00569 0.00682 215 4YZ 0.01064 0.00406 0.00101 -0.01185 0.01330 76 77 78 79 80 V V V V V Eigenvalues -- 0.48427 0.48557 0.50353 0.51924 0.52833 1 1 C 1S -0.00005 0.01348 -0.02730 0.00124 0.00000 2 2S 0.00000 0.00437 -0.00517 0.03125 0.00000 3 2PX -0.00012 0.04182 -0.05027 -0.06252 -0.00003 4 2PY -0.00528 -0.00001 0.00008 0.00008 0.61586 5 2PZ -0.00020 0.05292 -0.06552 0.03677 0.00000 6 3S 0.00139 -0.41268 0.39104 -0.34332 0.00002 7 3PX 0.00118 -0.35644 0.64176 0.00750 0.00001 8 3PY 0.12684 0.00045 -0.00013 -0.00011 -0.74432 9 3PZ 0.00137 -0.40786 0.82813 -0.17784 -0.00008 10 4XX -0.00001 0.00090 0.01365 0.04533 -0.00002 11 4YY 0.00003 -0.00489 -0.03635 -0.02741 0.00002 12 4ZZ -0.00001 0.00209 0.00476 -0.01694 0.00001 13 4XY 0.01517 0.00005 0.00000 0.00001 0.00233 14 4XZ -0.00006 0.01852 -0.04036 -0.01387 0.00001 15 4YZ -0.00658 -0.00002 -0.00001 0.00000 -0.00768 16 2 H 1S 0.00005 -0.01897 0.20598 0.16367 -0.00009 17 2S -0.00006 0.02410 0.08243 -0.09522 0.00005 18 3 H 1S -0.00006 0.01459 0.02879 -0.04879 0.00005 19 2S 0.00031 -0.10825 0.33666 -0.01430 -0.00006 20 4 C 1S -0.00827 -0.01607 0.03452 0.00574 0.02856 21 2S 0.06439 -0.08324 0.01285 -0.02335 0.00593 22 2PX 0.12798 -0.16538 -0.00354 -0.00158 -0.33401 23 2PY -0.04273 0.03631 0.10597 0.09351 0.07973 24 2PZ 0.02707 -0.03909 0.20883 0.02704 0.18168 25 3S 0.29472 0.53105 -0.63875 0.15588 0.18384 26 3PX -0.00271 0.25621 -0.00261 -0.06782 0.55642 27 3PY -0.06329 -0.40409 0.41941 -0.29431 -0.15022 28 3PZ 0.47779 0.16089 -0.49660 0.01753 -0.48627 29 4XX -0.00478 -0.00473 -0.03066 -0.01995 -0.04033 30 4YY 0.01245 0.01923 0.00174 0.02568 0.04156 31 4ZZ 0.00149 -0.03220 0.03686 0.00187 0.03097 32 4XY -0.00791 -0.00820 -0.00518 -0.02374 0.04120 33 4XZ 0.00114 -0.01225 -0.00253 -0.00598 0.03050 34 4YZ 0.00854 0.01020 -0.03295 -0.00042 0.00685 35 5 H 1S 0.02060 0.05080 0.16733 0.15286 0.22888 36 2S 0.09716 0.10560 -0.23932 0.05289 0.00394 37 6 C 1S 0.01806 0.00767 -0.01554 -0.00179 -0.00779 38 2S -0.00021 0.05005 0.11690 0.06946 0.15213 39 2PX 0.05358 -0.06452 -0.18400 -0.18153 -0.21598 40 2PY -0.03259 -0.14800 0.27737 0.04655 0.13862 41 2PZ 0.03407 0.16088 -0.18137 0.04154 -0.08485 42 3S -0.55053 -0.27322 0.21397 -0.12219 0.08032 43 3PX 0.11768 0.03214 0.15191 0.17596 0.04354 44 3PY 0.01245 0.20945 -0.35001 0.00268 -0.19048 45 3PZ 0.54562 -0.04439 -0.04142 0.03460 -0.06174 46 4XX -0.00461 -0.01123 0.00902 0.00300 0.00197 47 4YY -0.00278 0.02602 -0.01896 0.00423 0.03225 48 4ZZ 0.01174 -0.00347 0.02206 0.00689 -0.00172 49 4XY 0.00100 0.00617 0.01129 0.00802 -0.00314 50 4XZ -0.00251 0.00646 0.02833 0.00237 0.02355 51 4YZ 0.00147 0.01787 0.00996 0.01175 -0.00326 52 7 H 1S 0.02165 0.11384 0.05480 0.05246 0.04181 53 2S -0.21167 -0.05485 0.01245 -0.08680 0.10546 54 8 C 1S 0.00838 -0.01600 0.03452 0.00573 -0.02856 55 2S -0.06379 -0.08369 0.01278 -0.02333 -0.00580 56 2PX -0.12682 -0.16625 -0.00343 -0.00141 0.33398 57 2PY -0.04245 -0.03668 -0.10590 -0.09353 0.07984 58 2PZ -0.02681 -0.03927 0.20868 0.02703 -0.18181 59 3S -0.29826 0.52885 -0.63886 0.15588 -0.18408 60 3PX 0.00094 0.25616 -0.00264 -0.06800 -0.55650 61 3PY -0.06599 0.40370 -0.41963 0.29434 -0.15037 62 3PZ -0.47896 0.15729 -0.49635 0.01761 0.48644 63 4XX 0.00482 -0.00470 -0.03064 -0.01994 0.04033 64 4YY -0.01258 0.01914 0.00172 0.02568 -0.04155 65 4ZZ -0.00126 -0.03220 0.03685 0.00187 -0.03097 66 4XY -0.00797 0.00815 0.00519 0.02376 0.04119 67 4XZ -0.00105 -0.01225 -0.00255 -0.00598 -0.03049 68 4YZ 0.00861 -0.01013 0.03295 0.00042 0.00685 69 9 H 1S -0.02098 0.05071 0.16723 0.15284 -0.22893 70 2S -0.09782 0.10489 -0.23932 0.05287 -0.00399 71 10 C 1S -0.01811 0.00754 -0.01556 -0.00177 0.00780 72 2S -0.00013 0.05008 0.11683 0.06944 -0.15221 73 2PX -0.05317 -0.06495 -0.18394 -0.18142 0.21612 74 2PY -0.03370 0.14768 -0.27727 -0.04663 0.13873 75 2PZ -0.03525 0.16061 -0.18133 0.04150 0.08489 76 3S 0.55235 -0.26920 0.21421 -0.12241 -0.08025 77 3PX -0.11784 0.03133 0.15187 0.17587 -0.04365 78 3PY 0.01405 -0.20941 0.35017 -0.00276 -0.19058 79 3PZ -0.54521 -0.04841 -0.04150 0.03470 0.06168 80 4XX 0.00469 -0.01120 0.00903 0.00299 -0.00197 81 4YY 0.00259 0.02605 -0.01899 0.00424 -0.03226 82 4ZZ -0.01171 -0.00356 0.02205 0.00690 0.00170 83 4XY 0.00104 -0.00617 -0.01128 -0.00802 -0.00312 84 4XZ 0.00247 0.00648 0.02832 0.00237 -0.02356 85 4YZ 0.00159 -0.01786 -0.00996 -0.01176 -0.00327 86 11 H 1S -0.02246 0.11371 0.05472 0.05251 -0.04183 87 2S 0.21204 -0.05332 0.01251 -0.08685 -0.10543 88 12 C 1S -0.04088 -0.00177 -0.00887 -0.01125 -0.01078 89 2S 0.11777 -0.20547 0.01467 -0.02316 -0.18565 90 2PX 0.10752 -0.29052 -0.00486 0.06658 0.16718 91 2PY -0.07348 -0.19809 -0.03909 -0.28391 -0.03932 92 2PZ 0.12371 0.09675 0.11040 0.11285 -0.12677 93 3S 0.27138 -0.09132 0.23654 -0.13819 0.80907 94 3PX 1.28728 0.25134 0.07404 -0.03875 -0.09979 95 3PY -1.75348 0.34248 -0.12479 0.44424 -0.25374 96 3PZ 0.76990 -0.19558 -0.06443 -0.14341 0.66470 97 4XX 0.00232 -0.00675 0.00845 0.01423 -0.00599 98 4YY -0.01667 -0.04982 0.00770 -0.04741 -0.00508 99 4ZZ 0.00861 0.01772 -0.01563 0.02541 -0.02325 100 4XY 0.01425 0.00849 -0.00051 -0.00943 -0.00771 101 4XZ -0.02197 -0.02956 -0.00810 -0.00159 -0.01364 102 4YZ 0.00876 0.01451 0.00201 0.01034 0.00522 103 13 C 1S 0.01976 0.01148 0.01142 -0.00539 -0.00444 104 2S -0.08842 -0.29680 -0.09961 0.09485 0.04162 105 2PX 0.34985 -0.13511 -0.17687 0.09121 0.04565 106 2PY -0.02127 -0.10651 -0.16486 0.03855 -0.03960 107 2PZ 0.37237 0.19213 0.14958 0.03294 0.05095 108 3S -0.18666 0.50037 0.26372 -0.28095 -0.16194 109 3PX 1.46960 -0.00090 0.40264 -0.14095 0.43344 110 3PY -0.61573 -0.07537 -0.05427 -0.08451 -0.25681 111 3PZ 1.43256 -0.23379 0.01146 -0.12185 0.26493 112 4XX 0.00111 -0.02065 0.00279 0.00803 -0.01048 113 4YY 0.01039 0.00905 -0.00963 -0.00257 -0.00850 114 4ZZ -0.01339 -0.02991 0.00789 0.00367 0.00998 115 4XY -0.02028 -0.00501 0.00644 -0.03174 0.00924 116 4XZ -0.00666 -0.03627 0.01646 -0.00578 0.00323 117 4YZ -0.01551 0.00074 0.00056 -0.03299 -0.00326 118 14 C 1S -0.00165 -0.00052 -0.01365 0.02231 -0.00057 119 2S -0.06748 -0.16160 -0.19657 0.09484 0.00094 120 2PX 0.10923 -0.12810 -0.04525 0.29696 -0.00865 121 2PY 0.14259 -0.06346 -0.15181 0.36651 0.01758 122 2PZ 0.10313 0.26026 -0.10584 0.02266 0.02576 123 3S 1.65503 0.19219 -0.00896 0.21116 0.37871 124 3PX 0.36898 0.09386 0.05999 -0.35642 0.06376 125 3PY 2.83255 0.07773 0.31674 -0.63790 0.62900 126 3PZ 0.64309 -0.19668 0.20162 -0.13765 0.11108 127 4XX -0.00283 0.00447 -0.00658 -0.01604 0.00185 128 4YY 0.00816 -0.02717 -0.03585 0.05782 0.00461 129 4ZZ 0.00541 -0.00287 -0.01787 -0.00873 0.00116 130 4XY 0.00615 -0.02194 0.01052 0.01651 0.00269 131 4XZ 0.01561 0.00055 -0.03776 0.01041 0.00371 132 4YZ 0.00889 -0.01418 0.00019 0.00214 0.00208 133 15 C 1S 0.00165 -0.00050 -0.01365 0.02230 0.00057 134 2S 0.06858 -0.16112 -0.19656 0.09484 -0.00092 135 2PX -0.10838 -0.12888 -0.04530 0.29703 0.00858 136 2PY 0.14219 0.06447 0.15180 -0.36646 0.01762 137 2PZ -0.10503 0.25952 -0.10581 0.02259 -0.02569 138 3S -1.65626 0.17990 -0.00875 0.21084 -0.37873 139 3PX -0.36995 0.09137 0.06006 -0.35667 -0.06378 140 3PY 2.83292 -0.05724 -0.31699 0.63855 0.62893 141 3PZ -0.64167 -0.20114 0.20163 -0.13783 -0.11116 142 4XX 0.00280 0.00448 -0.00657 -0.01604 -0.00185 143 4YY -0.00798 -0.02723 -0.03585 0.05781 -0.00461 144 4ZZ -0.00539 -0.00290 -0.01787 -0.00874 -0.00116 145 4XY 0.00600 0.02199 -0.01052 -0.01652 0.00270 146 4XZ -0.01562 0.00043 -0.03776 0.01040 -0.00370 147 4YZ 0.00879 0.01425 -0.00020 -0.00214 0.00208 148 16 C 1S -0.01985 0.01133 0.01141 -0.00537 0.00443 149 2S 0.09053 -0.29618 -0.09957 0.09474 -0.04162 150 2PX -0.34888 -0.13754 -0.17694 0.09121 -0.04563 151 2PY -0.02204 0.10632 0.16487 -0.03858 -0.03964 152 2PZ -0.37381 0.18937 0.14965 0.03278 -0.05100 153 3S 0.18366 0.50188 0.26379 -0.28083 0.16202 154 3PX -1.46962 -0.01148 0.40271 -0.14138 -0.43349 155 3PY -0.61655 0.07066 0.05441 0.08440 -0.25690 156 3PZ -1.43116 -0.24391 0.01147 -0.12209 -0.26498 157 4XX -0.00095 -0.02065 0.00280 0.00802 0.01048 158 4YY -0.01046 0.00897 -0.00963 -0.00255 0.00850 159 4ZZ 0.01360 -0.02982 0.00789 0.00365 -0.00999 160 4XY -0.02032 0.00486 -0.00644 0.03175 0.00923 161 4XZ 0.00692 -0.03622 0.01646 -0.00579 -0.00324 162 4YZ -0.01551 -0.00085 -0.00056 0.03299 -0.00327 163 17 C 1S 0.04090 -0.00147 -0.00887 -0.01125 0.01079 164 2S -0.11624 -0.20640 0.01470 -0.02310 0.18561 165 2PX -0.10546 -0.29129 -0.00496 0.06653 -0.16724 166 2PY -0.07493 0.19750 0.03911 0.28383 -0.03943 167 2PZ -0.12439 0.09590 0.11044 0.11289 0.12671 168 3S -0.27141 -0.09345 0.23641 -0.13833 -0.80900 169 3PX -1.28907 0.24197 0.07420 -0.03892 0.09972 170 3PY -1.75135 -0.35478 0.12487 -0.44469 -0.25367 171 3PZ -0.76860 -0.20116 -0.06453 -0.14376 -0.66460 172 4XX -0.00229 -0.00676 0.00845 0.01424 0.00599 173 4YY 0.01704 -0.04972 0.00771 -0.04742 0.00509 174 4ZZ -0.00873 0.01765 -0.01563 0.02542 0.02326 175 4XY 0.01431 -0.00839 0.00050 0.00943 -0.00772 176 4XZ 0.02219 -0.02941 -0.00811 -0.00159 0.01363 177 4YZ 0.00887 -0.01444 -0.00201 -0.01033 0.00523 178 18 H 1S -0.07078 -0.00826 -0.09883 0.00575 -0.01562 179 2S 0.01303 -0.05538 -0.09781 -0.01420 0.09770 180 19 H 1S 0.03908 0.06108 -0.15796 0.06551 0.00645 181 2S 0.25218 -0.08988 0.04304 0.03311 0.07375 182 20 H 1S -0.03953 0.06081 -0.15795 0.06547 -0.00640 183 2S -0.25155 -0.09179 0.04309 0.03307 -0.07377 184 21 H 1S 0.07082 -0.00777 -0.09885 0.00575 0.01566 185 2S -0.01262 -0.05547 -0.09783 -0.01420 -0.09764 186 22 O 1S -0.00748 0.00288 0.00907 0.00163 -0.00747 187 2S -0.02981 0.05405 -0.00902 -0.00959 0.00619 188 2PX -0.00513 -0.01682 -0.00673 -0.12132 -0.00023 189 2PY 0.03637 -0.05640 0.01617 0.01892 -0.01653 190 2PZ -0.01640 0.00298 0.01883 -0.11689 -0.00561 191 3S 0.40590 -0.26885 -0.17417 0.01337 0.16351 192 3PX 0.20166 0.01789 -0.02700 0.00338 0.04029 193 3PY -0.12013 0.09651 0.09929 -0.00952 -0.06400 194 3PZ 0.24974 0.01774 -0.02468 -0.00396 0.04953 195 4XX -0.01319 0.02458 0.00662 -0.01247 -0.00457 196 4YY -0.00088 -0.00036 0.00108 0.00330 -0.00905 197 4ZZ -0.01568 0.02431 0.00766 0.00673 -0.00052 198 4XY 0.01340 0.00285 0.01481 -0.01629 -0.00249 199 4XZ 0.00427 -0.01209 0.00005 0.00087 -0.00117 200 4YZ 0.00946 -0.00961 -0.00877 -0.01401 0.00152 201 23 O 1S 0.00746 0.00294 0.00906 0.00164 0.00747 202 2S 0.02942 0.05428 -0.00901 -0.00960 -0.00618 203 2PX 0.00526 -0.01680 -0.00673 -0.12133 0.00026 204 2PY 0.03595 0.05666 -0.01615 -0.01897 -0.01652 205 2PZ 0.01640 0.00310 0.01882 -0.11686 0.00564 206 3S -0.40402 -0.27193 -0.17408 0.01331 -0.16349 207 3PX -0.20176 0.01647 -0.02700 0.00334 -0.04027 208 3PY -0.11950 -0.09741 -0.09925 0.00949 -0.06399 209 3PZ -0.24982 0.01595 -0.02467 -0.00400 -0.04951 210 4XX 0.01302 0.02468 0.00663 -0.01247 0.00457 211 4YY 0.00089 -0.00035 0.00108 0.00332 0.00905 212 4ZZ 0.01550 0.02443 0.00766 0.00673 0.00052 213 4XY 0.01343 -0.00276 -0.01480 0.01628 -0.00249 214 4XZ -0.00419 -0.01212 0.00005 0.00087 0.00117 215 4YZ 0.00939 0.00968 0.00877 0.01402 0.00152 81 82 83 84 85 V V V V V Eigenvalues -- 0.54431 0.54780 0.56139 0.56698 0.58444 1 1 C 1S -0.00324 0.00000 0.00830 0.02662 0.02400 2 2S -0.10976 0.00015 -0.13802 -0.15556 -0.19053 3 2PX -0.21402 0.00034 -0.36020 -0.31585 -0.21967 4 2PY -0.00011 -0.08271 -0.00002 -0.00006 -0.00007 5 2PZ -0.25896 0.00029 -0.06508 -0.25847 -0.36993 6 3S 0.61531 -0.00055 0.08196 0.07900 0.34570 7 3PX 0.55597 -0.00072 0.40646 0.58244 0.29338 8 3PY 0.00008 0.02446 -0.00001 0.00012 0.00007 9 3PZ 0.89051 -0.00079 -0.16139 0.25418 0.65438 10 4XX -0.03121 0.00001 0.03389 0.01912 -0.04066 11 4YY -0.00441 0.00002 0.02015 -0.04723 -0.00848 12 4ZZ 0.04030 -0.00003 -0.05791 0.03582 0.04936 13 4XY -0.00001 -0.01164 0.00000 0.00001 -0.00001 14 4XZ -0.02658 0.00003 -0.04083 0.00745 0.00686 15 4YZ -0.00002 -0.02040 0.00000 -0.00001 0.00000 16 2 H 1S -0.07067 -0.00001 0.06972 0.07482 -0.03106 17 2S 0.04519 -0.00004 -0.12158 0.06623 0.17287 18 3 H 1S 0.17664 -0.00019 -0.15216 0.25936 0.26471 19 2S 0.20752 -0.00016 -0.07809 -0.04333 0.02825 20 4 C 1S 0.01217 -0.01014 -0.02076 -0.02243 -0.01873 21 2S -0.07116 0.12372 -0.11753 0.14005 -0.02402 22 2PX 0.07602 0.11756 0.12651 0.23712 -0.18654 23 2PY -0.04619 0.02159 -0.09437 -0.02361 -0.06752 24 2PZ -0.05526 0.21881 -0.09296 -0.17567 -0.12924 25 3S -0.54018 0.22322 0.27861 -0.41218 -0.04651 26 3PX -0.05736 -0.05674 -0.30072 -0.50072 0.37482 27 3PY 0.59613 -0.28999 -0.03428 -0.04553 0.09012 28 3PZ -0.19905 -0.12875 0.28125 0.45275 0.13988 29 4XX 0.02243 -0.00848 0.02505 0.01250 0.01838 30 4YY -0.04298 0.00743 -0.06938 0.02878 -0.01532 31 4ZZ -0.00193 0.01433 0.00916 -0.03897 -0.02732 32 4XY -0.01427 -0.01846 -0.03005 -0.03769 -0.01492 33 4XZ -0.00266 0.00769 -0.01552 -0.03804 -0.02653 34 4YZ -0.02961 0.00030 0.02703 -0.02169 -0.03936 35 5 H 1S -0.00404 0.03771 -0.20879 0.12309 0.07574 36 2S -0.21994 0.12960 0.18615 0.00757 -0.03074 37 6 C 1S -0.01296 0.05381 0.00280 0.01886 0.00482 38 2S -0.30961 0.02907 -0.10879 -0.04453 -0.07269 39 2PX 0.29763 0.12733 0.13692 -0.08688 0.10371 40 2PY 0.21703 0.24053 -0.12211 -0.06885 0.04909 41 2PZ -0.19877 -0.10826 -0.03108 0.26666 0.05998 42 3S 0.55627 -0.76188 0.07233 -0.11132 -0.07552 43 3PX -0.27773 -0.04336 0.02233 0.21182 -0.10614 44 3PY -0.31107 0.21645 0.23653 0.05888 -0.08389 45 3PZ 0.00716 0.45865 0.23008 -0.23841 0.01508 46 4XX 0.01452 -0.03963 -0.00326 -0.00792 0.01460 47 4YY -0.07187 0.05190 0.00109 -0.00431 -0.02115 48 4ZZ -0.01442 0.03246 -0.02575 0.02716 -0.00076 49 4XY -0.01746 0.00050 -0.03173 0.01691 0.01352 50 4XZ -0.01939 0.02003 -0.02276 0.01281 0.01706 51 4YZ 0.00969 0.00019 -0.02406 0.04532 0.04663 52 7 H 1S -0.08829 0.22758 -0.18218 0.25053 0.14157 53 2S 0.05645 -0.23252 -0.08403 -0.15927 -0.15136 54 8 C 1S 0.01218 0.01014 -0.02075 -0.02242 -0.01871 55 2S -0.07126 -0.12363 -0.11756 0.14003 -0.02405 56 2PX 0.07585 -0.11782 0.12650 0.23706 -0.18653 57 2PY 0.04621 0.02152 0.09433 0.02363 0.06751 58 2PZ -0.05551 -0.21857 -0.09315 -0.17575 -0.12938 59 3S -0.54044 -0.22218 0.27839 -0.41248 -0.04662 60 3PX -0.05719 0.05719 -0.30082 -0.50085 0.37481 61 3PY -0.59642 -0.28912 0.03422 0.04528 -0.09019 62 3PZ -0.19895 0.12868 0.28151 0.45269 0.13983 63 4XX 0.02243 0.00844 0.02505 0.01249 0.01837 64 4YY -0.04298 -0.00737 -0.06937 0.02879 -0.01531 65 4ZZ -0.00193 -0.01431 0.00916 -0.03897 -0.02731 66 4XY 0.01426 -0.01851 0.03006 0.03768 0.01494 67 4XZ -0.00267 -0.00765 -0.01552 -0.03804 -0.02653 68 4YZ 0.02960 0.00024 -0.02704 0.02169 0.03936 69 9 H 1S -0.00406 -0.03774 -0.20875 0.12309 0.07579 70 2S -0.22005 -0.12929 0.18609 0.00740 -0.03079 71 10 C 1S -0.01302 -0.05380 0.00276 0.01883 0.00479 72 2S -0.30962 -0.02859 -0.10879 -0.04457 -0.07263 73 2PX 0.29750 -0.12780 0.13684 -0.08703 0.10366 74 2PY -0.21670 0.24074 0.12227 0.06892 -0.04902 75 2PZ -0.19868 0.10845 -0.03104 0.26674 0.05996 76 3S 0.55711 0.76105 0.07258 -0.11082 -0.07520 77 3PX -0.27768 0.04361 0.02244 0.21194 -0.10615 78 3PY 0.31131 0.21621 -0.23651 -0.05878 0.08396 79 3PZ 0.00667 -0.45855 0.22984 -0.23876 0.01488 80 4XX 0.01456 0.03962 -0.00324 -0.00789 0.01462 81 4YY -0.07192 -0.05180 0.00107 -0.00433 -0.02117 82 4ZZ -0.01446 -0.03244 -0.02578 0.02713 -0.00078 83 4XY 0.01749 0.00049 0.03173 -0.01691 -0.01351 84 4XZ -0.01941 -0.02000 -0.02278 0.01280 0.01705 85 4YZ -0.00969 0.00023 0.02406 -0.04532 -0.04663 86 11 H 1S -0.08855 -0.22757 -0.18232 0.25040 0.14147 87 2S 0.05674 0.23260 -0.08390 -0.15914 -0.15123 88 12 C 1S -0.00064 0.02570 -0.02489 0.00434 -0.00439 89 2S -0.16170 -0.00364 -0.08303 -0.05854 -0.08870 90 2PX -0.06409 0.10551 0.19218 0.18037 -0.15772 91 2PY 0.00500 -0.02630 -0.28455 0.07039 -0.05110 92 2PZ -0.13883 0.00317 0.19743 -0.16049 0.13401 93 3S 0.24019 -1.05583 0.05940 0.42952 -0.27497 94 3PX 0.03063 -0.33799 -0.21058 -0.16413 0.19180 95 3PY -0.02200 -0.57508 0.36293 -0.17293 0.18400 96 3PZ 0.20465 -0.46114 -0.20888 0.40379 -0.28450 97 4XX 0.00488 0.00229 0.02853 -0.00792 -0.00987 98 4YY -0.02364 -0.00411 -0.04416 -0.00189 -0.01026 99 4ZZ -0.01038 0.00364 -0.01785 0.01280 -0.00782 100 4XY 0.01862 0.00206 0.00706 -0.01508 -0.01935 101 4XZ 0.00917 -0.00069 -0.03210 0.01157 -0.06252 102 4YZ 0.00016 0.00829 -0.01884 0.00942 -0.01660 103 13 C 1S -0.01764 0.00513 0.02358 -0.00477 0.00435 104 2S -0.05530 -0.11833 -0.12868 0.08564 0.04968 105 2PX -0.06677 0.28180 -0.01537 -0.15270 0.18524 106 2PY -0.00490 0.13309 -0.11396 -0.05259 -0.01446 107 2PZ 0.14242 -0.29835 0.01556 -0.07110 0.04664 108 3S -0.16748 0.15018 0.51956 -0.12900 0.15060 109 3PX 0.05991 -0.47780 0.07316 0.41938 -0.42176 110 3PY -0.07379 0.84744 0.00268 -0.24428 0.08347 111 3PZ -0.16810 0.32030 0.10028 0.14292 -0.19842 112 4XX -0.02807 0.00383 0.00363 -0.00728 0.02139 113 4YY 0.00345 -0.00638 -0.00249 0.00327 -0.01076 114 4ZZ -0.02228 -0.01781 0.01496 0.02058 0.01216 115 4XY -0.00248 -0.00378 -0.01244 0.00110 0.01605 116 4XZ -0.04033 -0.00115 0.04293 -0.00146 0.02267 117 4YZ -0.01582 -0.00652 -0.01187 0.00576 0.01343 118 14 C 1S 0.01558 0.01706 -0.01241 -0.00849 0.00515 119 2S -0.06355 -0.04313 -0.02255 -0.11688 0.26408 120 2PX 0.05285 0.21085 -0.13530 -0.05374 0.09312 121 2PY 0.15984 -0.01263 -0.06812 -0.05045 -0.07232 122 2PZ 0.28589 -0.17834 -0.07877 0.01890 -0.30966 123 3S 0.18319 -1.11657 -0.09865 0.01840 -0.21785 124 3PX -0.12755 0.05901 0.19541 0.03660 -0.06794 125 3PY -0.25689 -0.88916 0.12258 0.14855 0.07079 126 3PZ -0.31461 0.37997 0.15892 -0.00371 0.28762 127 4XX -0.00021 -0.01572 -0.00807 0.00816 0.00447 128 4YY 0.00979 -0.01127 -0.00225 -0.01879 0.02283 129 4ZZ -0.00541 0.00644 -0.01441 -0.02037 0.03707 130 4XY -0.01276 -0.01531 0.00429 -0.00063 0.01097 131 4XZ 0.02249 -0.00727 -0.03474 -0.02552 0.03466 132 4YZ -0.00236 0.00415 0.00450 0.00996 -0.01688 133 15 C 1S 0.01557 -0.01706 -0.01242 -0.00850 0.00514 134 2S -0.06349 0.04322 -0.02251 -0.11684 0.26410 135 2PX 0.05262 -0.21072 -0.13547 -0.05392 0.09299 136 2PY -0.15980 -0.01272 0.06812 0.05043 0.07231 137 2PZ 0.28608 0.17825 -0.07864 0.01904 -0.30956 138 3S 0.18408 1.11661 -0.09815 0.01921 -0.21779 139 3PX -0.12757 -0.05900 0.19541 0.03652 -0.06777 140 3PY 0.25616 -0.88899 -0.12286 -0.14901 -0.07087 141 3PZ -0.31500 -0.37993 0.15859 -0.00413 0.28746 142 4XX -0.00020 0.01571 -0.00806 0.00818 0.00448 143 4YY 0.00982 0.01128 -0.00225 -0.01878 0.02283 144 4ZZ -0.00541 -0.00641 -0.01441 -0.02038 0.03707 145 4XY 0.01274 -0.01532 -0.00430 0.00062 -0.01098 146 4XZ 0.02250 0.00729 -0.03473 -0.02552 0.03466 147 4YZ 0.00236 0.00416 -0.00450 -0.00996 0.01689 148 16 C 1S -0.01766 -0.00513 0.02359 -0.00477 0.00435 149 2S -0.05512 0.11836 -0.12864 0.08566 0.04962 150 2PX -0.06706 -0.28162 -0.01555 -0.15294 0.18521 151 2PY 0.00505 0.13291 0.11400 0.05268 0.01452 152 2PZ 0.14269 0.29822 0.01570 -0.07089 0.04671 153 3S -0.16748 -0.15028 0.51948 -0.12906 0.15081 154 3PX 0.06021 0.47727 0.07331 0.41955 -0.42177 155 3PY 0.07449 0.84729 -0.00221 0.24504 -0.08355 156 3PZ -0.16852 -0.32029 0.10004 0.14256 -0.19853 157 4XX -0.02806 -0.00380 0.00362 -0.00729 0.02139 158 4YY 0.00344 0.00638 -0.00248 0.00328 -0.01076 159 4ZZ -0.02226 0.01780 0.01497 0.02059 0.01215 160 4XY 0.00246 -0.00377 0.01244 -0.00110 -0.01604 161 4XZ -0.04033 0.00114 0.04292 -0.00147 0.02268 162 4YZ 0.01580 -0.00652 0.01187 -0.00576 -0.01342 163 17 C 1S -0.00065 -0.02568 -0.02491 0.00431 -0.00440 164 2S -0.16173 0.00384 -0.08301 -0.05845 -0.08870 165 2PX -0.06420 -0.10567 0.19211 0.18031 -0.15768 166 2PY -0.00502 -0.02634 0.28446 -0.07041 0.05099 167 2PZ -0.13885 -0.00303 0.19742 -0.16049 0.13404 168 3S 0.24101 1.05527 0.05994 0.43043 -0.27508 169 3PX 0.03079 0.33808 -0.21042 -0.16385 0.19168 170 3PY 0.02142 -0.57513 -0.36330 0.17199 -0.18385 171 3PZ 0.20494 0.46082 -0.20878 0.40408 -0.28460 172 4XX 0.00487 -0.00231 0.02853 -0.00793 -0.00986 173 4YY -0.02363 0.00413 -0.04418 -0.00188 -0.01029 174 4ZZ -0.01039 -0.00361 -0.01786 0.01280 -0.00783 175 4XY -0.01862 0.00205 -0.00707 0.01508 0.01934 176 4XZ 0.00918 0.00070 -0.03210 0.01158 -0.06253 177 4YZ -0.00014 0.00828 0.01884 -0.00941 0.01660 178 18 H 1S 0.03381 0.07478 -0.18466 0.13403 -0.19477 179 2S -0.05699 -0.24164 0.04635 0.08502 0.13634 180 19 H 1S 0.13558 0.00791 -0.16585 -0.11302 0.10396 181 2S -0.03059 -0.27224 0.02260 0.05446 -0.03577 182 20 H 1S 0.13559 -0.00783 -0.16585 -0.11304 0.10396 183 2S -0.03036 0.27219 0.02274 0.05467 -0.03573 184 21 H 1S 0.03375 -0.07473 -0.18474 0.13397 -0.19485 185 2S -0.05685 0.24157 0.04638 0.08528 0.13632 186 22 O 1S 0.00512 0.02341 0.00202 0.01143 -0.00205 187 2S -0.03786 -0.04480 0.03292 -0.02859 0.01886 188 2PX -0.03094 -0.04802 -0.03847 -0.05391 0.09937 189 2PY -0.00709 0.02892 -0.01700 0.02916 0.01538 190 2PZ -0.01504 0.06309 -0.05187 0.01024 0.05794 191 3S -0.01976 -0.55819 -0.16362 -0.17924 0.03229 192 3PX 0.00204 0.03094 -0.00449 -0.00224 0.03404 193 3PY 0.03165 0.24122 0.07473 0.09873 -0.02288 194 3PZ 0.00225 -0.01759 -0.02521 -0.03376 0.03168 195 4XX -0.00050 0.00665 0.00817 0.00146 -0.00571 196 4YY -0.01602 -0.00941 0.00767 -0.00046 0.01705 197 4ZZ -0.00402 0.00235 0.01247 -0.00048 0.00459 198 4XY 0.00006 0.01647 -0.00252 0.01013 -0.00100 199 4XZ -0.00370 -0.00645 0.00100 0.00270 -0.00017 200 4YZ -0.01040 -0.01492 -0.00617 0.00513 0.00203 201 23 O 1S 0.00510 -0.02342 0.00201 0.01141 -0.00205 202 2S -0.03781 0.04484 0.03296 -0.02857 0.01889 203 2PX -0.03090 0.04806 -0.03846 -0.05385 0.09938 204 2PY 0.00716 0.02895 0.01699 -0.02917 -0.01537 205 2PZ -0.01511 -0.06312 -0.05191 0.01020 0.05792 206 3S -0.01926 0.55843 -0.16335 -0.17878 0.03231 207 3PX 0.00198 -0.03097 -0.00450 -0.00227 0.03402 208 3PY -0.03142 0.24136 -0.07460 -0.09854 0.02292 209 3PZ 0.00224 0.01764 -0.02520 -0.03376 0.03167 210 4XX -0.00050 -0.00666 0.00816 0.00145 -0.00571 211 4YY -0.01602 0.00942 0.00769 -0.00045 0.01707 212 4ZZ -0.00401 -0.00236 0.01248 -0.00048 0.00460 213 4XY -0.00004 0.01648 0.00253 -0.01012 0.00100 214 4XZ -0.00369 0.00645 0.00100 0.00271 -0.00017 215 4YZ 0.01039 -0.01493 0.00617 -0.00514 -0.00203 86 87 88 89 90 V V V V V Eigenvalues -- 0.60222 0.61792 0.62438 0.64903 0.65694 1 1 C 1S 0.00450 0.00000 -0.01786 0.00001 0.00001 2 2S -0.31244 -0.00005 0.05775 -0.00008 -0.00010 3 2PX -0.23495 0.00003 -0.06839 -0.00011 -0.00010 4 2PY 0.00010 -0.38658 -0.00007 0.24678 0.16998 5 2PZ -0.28270 -0.00009 0.22287 -0.00005 -0.00005 6 3S 1.09498 0.00014 -0.38006 0.00024 0.00046 7 3PX 0.95276 0.00001 0.22990 0.00020 0.00031 8 3PY -0.00013 0.48041 0.00012 -0.70237 -0.30078 9 3PZ 1.19766 0.00023 -0.46598 -0.00004 0.00027 10 4XX -0.02362 0.00000 0.01247 0.00000 -0.00001 11 4YY 0.01333 0.00000 -0.01324 0.00001 0.00002 12 4ZZ -0.01654 0.00000 -0.02266 0.00000 -0.00001 13 4XY -0.00001 -0.00391 0.00001 -0.01882 0.00117 14 4XZ -0.02486 -0.00001 -0.02292 0.00003 0.00001 15 4YZ -0.00001 0.01255 0.00000 -0.03409 0.00142 16 2 H 1S 0.10985 0.00005 -0.00711 -0.00001 0.00005 17 2S 0.18531 -0.00001 0.04041 0.00009 0.00011 18 3 H 1S 0.01076 0.00001 -0.06310 0.00004 0.00004 19 2S 0.41526 0.00008 -0.06722 -0.00005 0.00014 20 4 C 1S -0.02289 -0.03432 -0.00627 0.00442 0.01685 21 2S 0.19873 0.20275 -0.06026 -0.05884 0.06536 22 2PX -0.04325 0.00749 0.28264 0.35661 0.16145 23 2PY -0.26061 -0.09548 0.08455 0.10323 -0.02529 24 2PZ 0.32239 0.28756 0.02495 -0.11262 -0.08709 25 3S -0.94876 0.04406 0.12107 0.54747 -0.31806 26 3PX -0.03123 -0.03966 -0.50786 -0.64165 -0.47845 27 3PY 0.98110 -0.09809 -0.21949 -0.63092 0.21790 28 3PZ -0.47876 0.06104 0.06707 0.17294 -0.00863 29 4XX 0.03095 0.01182 -0.00308 -0.01251 -0.00548 30 4YY -0.07458 -0.01287 -0.01488 0.00958 0.01950 31 4ZZ 0.01466 0.00327 0.00007 0.01398 0.00603 32 4XY 0.01272 0.00982 0.00252 -0.01555 0.00685 33 4XZ -0.04134 -0.04075 -0.01050 0.01708 0.00951 34 4YZ -0.00585 -0.00054 0.03055 0.01487 0.00247 35 5 H 1S -0.24657 -0.11672 -0.13093 0.12562 0.06048 36 2S -0.18147 0.17756 0.12285 0.23240 -0.13798 37 6 C 1S 0.02870 0.06897 0.00525 0.00454 -0.00615 38 2S 0.14273 -0.13875 0.04212 -0.00209 0.01727 39 2PX -0.20492 -0.39589 0.01089 -0.16532 -0.16415 40 2PY -0.10889 0.26053 -0.16008 0.13211 0.03197 41 2PZ 0.15874 0.23878 0.04389 -0.04081 0.01869 42 3S 0.19128 -0.40418 0.05748 -0.41003 0.33555 43 3PX 0.21360 0.80984 0.09189 0.48539 0.31725 44 3PY -0.00739 0.01926 0.31018 0.20671 -0.11698 45 3PZ -0.32509 0.22261 -0.03428 0.26239 -0.33278 46 4XX -0.00424 -0.03582 -0.01499 -0.00608 -0.00463 47 4YY 0.01737 0.05325 0.03183 0.01729 0.00531 48 4ZZ 0.06082 0.02808 -0.00971 -0.01639 0.00261 49 4XY 0.00996 -0.00358 -0.02355 -0.00627 -0.00071 50 4XZ 0.06448 0.04698 -0.00303 -0.02065 -0.00496 51 4YZ -0.04781 0.00286 -0.01936 -0.00130 0.00446 52 7 H 1S 0.07311 0.22745 -0.03398 -0.01212 0.00757 53 2S 0.07466 -0.41499 -0.02345 -0.17637 0.08505 54 8 C 1S -0.02290 0.03432 -0.00626 -0.00444 -0.01686 55 2S 0.19882 -0.20266 -0.06038 0.05896 -0.06519 56 2PX -0.04326 -0.00763 0.28258 -0.35672 -0.16163 57 2PY 0.26071 -0.09544 -0.08465 0.10337 -0.02514 58 2PZ 0.32249 -0.28750 0.02481 0.11236 0.08687 59 3S -0.94905 -0.04419 0.12101 -0.54745 0.31771 60 3PX -0.03117 0.03986 -0.50782 0.64205 0.47890 61 3PY -0.98133 -0.09823 0.21956 -0.63088 0.21754 62 3PZ -0.47888 -0.06109 0.06708 -0.17251 0.00896 63 4XX 0.03095 -0.01181 -0.00307 0.01250 0.00548 64 4YY -0.07458 0.01287 -0.01489 -0.00958 -0.01950 65 4ZZ 0.01466 -0.00327 0.00006 -0.01396 -0.00599 66 4XY -0.01270 0.00982 -0.00252 -0.01554 0.00687 67 4XZ -0.04136 0.04074 -0.01048 -0.01708 -0.00951 68 4YZ 0.00584 -0.00052 -0.03054 0.01489 0.00249 69 9 H 1S -0.24662 0.11672 -0.13092 -0.12558 -0.06046 70 2S -0.18148 -0.17760 0.12283 -0.23225 0.13795 71 10 C 1S 0.02872 -0.06895 0.00522 -0.00454 0.00614 72 2S 0.14267 0.13881 0.04217 0.00211 -0.01715 73 2PX -0.20501 0.39575 0.01113 0.16535 0.16414 74 2PY 0.10877 0.26060 0.16021 0.13210 0.03194 75 2PZ 0.15885 -0.23873 0.04376 0.04082 -0.01880 76 3S 0.19139 0.40399 0.05760 0.40977 -0.33571 77 3PX 0.21378 -0.80977 0.09144 -0.48542 -0.31722 78 3PY 0.00748 0.01925 -0.31022 0.20671 -0.11697 79 3PZ -0.32529 -0.22257 -0.03442 -0.26219 0.33297 80 4XX -0.00426 0.03583 -0.01497 0.00608 0.00463 81 4YY 0.01738 -0.05325 0.03181 -0.01729 -0.00530 82 4ZZ 0.06085 -0.02806 -0.00974 0.01638 -0.00262 83 4XY -0.00997 -0.00356 0.02354 -0.00627 -0.00071 84 4XZ 0.06449 -0.04697 -0.00305 0.02065 0.00497 85 4YZ 0.04781 0.00284 0.01937 -0.00132 0.00445 86 11 H 1S 0.07318 -0.22738 -0.03409 0.01208 -0.00765 87 2S 0.07460 0.41499 -0.02322 0.17627 -0.08514 88 12 C 1S 0.00076 -0.00935 -0.00434 0.00622 -0.01991 89 2S -0.07018 -0.02263 -0.13143 0.06479 0.11299 90 2PX 0.06174 -0.08456 -0.10145 0.02998 -0.12183 91 2PY 0.08416 -0.05283 0.12929 0.21462 0.20616 92 2PZ -0.04689 0.02422 -0.05766 -0.14850 0.04676 93 3S 0.26745 0.58296 0.52419 -0.71457 -0.57912 94 3PX -0.04326 0.22535 0.03574 -0.19884 0.05231 95 3PY -0.27993 0.50786 -0.39620 -0.11244 0.36344 96 3PZ -0.06562 0.29689 0.23718 -0.35096 -0.63409 97 4XX 0.03420 -0.01953 0.00231 0.02766 0.01756 98 4YY 0.00112 0.01506 0.00249 -0.03455 -0.01901 99 4ZZ -0.02805 -0.00385 -0.02764 0.00813 -0.01276 100 4XY 0.03752 -0.00307 -0.00282 0.01804 -0.00454 101 4XZ 0.00446 0.00508 -0.00769 0.00858 -0.04769 102 4YZ -0.01342 -0.00126 0.00875 0.00207 -0.01310 103 13 C 1S 0.00644 -0.00500 -0.00775 0.01623 -0.01543 104 2S -0.10543 0.06289 0.02846 -0.17530 0.14530 105 2PX 0.11785 -0.07405 -0.22168 0.03739 0.13469 106 2PY 0.15937 -0.07454 -0.04052 0.33218 -0.30585 107 2PZ 0.06795 0.07322 0.35366 0.01930 0.01909 108 3S -0.32687 -0.17761 -0.28474 -0.11344 0.50615 109 3PX -0.15137 0.06256 0.50715 -0.69804 -0.68304 110 3PY 0.12573 -0.29311 0.02180 -0.05600 0.44880 111 3PZ -0.00598 -0.09781 -0.48620 -0.38489 -0.43575 112 4XX -0.01888 0.00367 -0.01842 -0.02705 0.02153 113 4YY 0.01326 -0.01351 0.00783 0.05168 -0.04903 114 4ZZ -0.02149 0.00243 -0.00525 -0.02624 0.04177 115 4XY -0.00711 0.00374 0.01941 -0.01235 0.02880 116 4XZ -0.02287 0.00761 -0.01397 -0.01718 0.03374 117 4YZ -0.00854 0.00492 -0.00032 0.00601 0.00276 118 14 C 1S 0.00977 -0.00506 0.01128 0.01807 0.01634 119 2S -0.02502 0.02301 0.06418 0.00319 0.16500 120 2PX 0.01090 -0.12662 0.29920 -0.24000 0.05157 121 2PY 0.07179 -0.03957 0.01480 -0.10568 -0.29897 122 2PZ 0.15633 0.11763 -0.21886 0.25894 -0.35261 123 3S 0.09680 0.38442 -0.08227 -0.33455 -0.28118 124 3PX -0.01724 0.01078 -0.41937 0.23856 -0.17121 125 3PY -0.12471 0.29535 0.00852 -0.72935 0.07396 126 3PZ -0.21106 -0.30506 0.28476 -0.75220 0.37973 127 4XX 0.00864 -0.00084 -0.00673 0.00929 -0.01457 128 4YY 0.00070 0.01389 0.00550 0.01461 0.07397 129 4ZZ 0.00096 -0.00440 0.03068 0.00049 0.00599 130 4XY -0.00591 0.00499 0.01361 -0.00254 0.00676 131 4XZ 0.02299 0.00419 0.03060 0.03176 0.01452 132 4YZ 0.00249 -0.00069 -0.02796 -0.01400 0.01289 133 15 C 1S 0.00979 0.00505 0.01128 -0.01808 -0.01636 134 2S -0.02501 -0.02303 0.06416 -0.00323 -0.16512 135 2PX 0.01093 0.12641 0.29927 0.24007 -0.05143 136 2PY -0.07170 -0.03955 -0.01482 -0.10563 -0.29892 137 2PZ 0.15628 -0.11743 -0.21891 -0.25899 0.35264 138 3S 0.09662 -0.38437 -0.08242 0.33462 0.28148 139 3PX -0.01724 -0.01056 -0.41934 -0.23858 0.17094 140 3PY 0.12477 0.29535 -0.00851 -0.72945 0.07382 141 3PZ -0.21098 0.30479 0.28494 0.75225 -0.37989 142 4XX 0.00863 0.00085 -0.00672 -0.00930 0.01457 143 4YY 0.00072 -0.01390 0.00549 -0.01462 -0.07399 144 4ZZ 0.00096 0.00438 0.03068 -0.00049 -0.00599 145 4XY 0.00591 0.00501 -0.01361 -0.00256 0.00674 146 4XZ 0.02300 -0.00419 0.03059 -0.03177 -0.01453 147 4YZ -0.00249 -0.00071 0.02797 -0.01401 0.01287 148 16 C 1S 0.00642 0.00500 -0.00776 -0.01620 0.01548 149 2S -0.10527 -0.06289 0.02849 0.17521 -0.14548 150 2PX 0.11796 0.07419 -0.22169 -0.03750 -0.13481 151 2PY -0.15935 -0.07461 0.04049 0.33198 -0.30641 152 2PZ 0.06790 -0.07338 0.35354 -0.01932 -0.01904 153 3S -0.32714 0.17757 -0.28471 0.11333 -0.50677 154 3PX -0.15150 -0.06278 0.50726 0.69823 0.68334 155 3PY -0.12594 -0.29311 -0.02180 -0.05554 0.44981 156 3PZ -0.00596 0.09805 -0.48596 0.38504 0.43586 157 4XX -0.01886 -0.00367 -0.01841 0.02705 -0.02158 158 4YY 0.01323 0.01351 0.00783 -0.05164 0.04912 159 4ZZ -0.02147 -0.00243 -0.00525 0.02622 -0.04180 160 4XY 0.00709 0.00375 -0.01942 -0.01232 0.02881 161 4XZ -0.02286 -0.00761 -0.01398 0.01720 -0.03375 162 4YZ 0.00853 0.00492 0.00031 0.00601 0.00275 163 17 C 1S 0.00077 0.00935 -0.00434 -0.00623 0.01991 164 2S -0.07025 0.02266 -0.13148 -0.06471 -0.11287 165 2PX 0.06173 0.08470 -0.10143 -0.03009 0.12171 166 2PY -0.08407 -0.05283 -0.12927 0.21475 0.20619 167 2PZ -0.04700 -0.02431 -0.05767 0.14864 -0.04674 168 3S 0.26721 -0.58307 0.52438 0.71456 0.57941 169 3PX -0.04328 -0.22544 0.03567 0.19904 -0.05193 170 3PY 0.28009 0.50779 0.39615 -0.11265 0.36347 171 3PZ -0.06544 -0.29693 0.23716 0.35091 0.63424 172 4XX 0.03419 0.01953 0.00230 -0.02767 -0.01754 173 4YY 0.00114 -0.01506 0.00250 0.03455 0.01900 174 4ZZ -0.02807 0.00385 -0.02763 -0.00812 0.01277 175 4XY -0.03751 -0.00307 0.00282 0.01805 -0.00452 176 4XZ 0.00447 -0.00507 -0.00768 -0.00856 0.04774 177 4YZ 0.01342 -0.00126 -0.00875 0.00206 -0.01309 178 18 H 1S -0.10089 0.03120 -0.02718 -0.07385 -0.19898 179 2S -0.22104 0.25293 -0.09184 -0.23333 0.06279 180 19 H 1S 0.10474 0.00626 0.14237 0.09959 0.13612 181 2S -0.02306 0.13889 -0.03308 -0.09987 0.07075 182 20 H 1S 0.10480 -0.00630 0.14234 -0.09972 -0.13629 183 2S -0.02309 -0.13886 -0.03315 0.09995 -0.07056 184 21 H 1S -0.10084 -0.03118 -0.02714 0.07385 0.19900 185 2S -0.22102 -0.25295 -0.09191 0.23341 -0.06275 186 22 O 1S -0.01504 -0.00684 0.00194 0.01853 -0.01035 187 2S 0.00154 0.01241 -0.00988 -0.00048 0.03124 188 2PX 0.06024 0.04057 0.00798 -0.05828 -0.16361 189 2PY -0.06278 -0.02606 0.00922 0.13036 -0.12293 190 2PZ -0.00985 -0.02833 0.10085 -0.01405 -0.06205 191 3S 0.26811 0.15288 -0.00320 -0.18948 -0.10523 192 3PX -0.05638 -0.03959 -0.05173 -0.04539 -0.06293 193 3PY -0.15001 -0.05928 0.01382 0.15023 -0.05952 194 3PZ 0.02221 0.01962 0.03434 -0.07774 -0.06987 195 4XX -0.00018 0.00039 -0.00286 -0.01519 0.02694 196 4YY -0.02786 -0.00945 -0.00981 0.07216 -0.05852 197 4ZZ -0.00960 0.00416 0.01037 0.01080 0.01032 198 4XY -0.01076 -0.00516 0.02248 0.01717 -0.01940 199 4XZ 0.00074 0.00200 -0.00260 -0.00194 0.00282 200 4YZ -0.00165 0.00488 -0.01495 -0.00744 0.00225 201 23 O 1S -0.01504 0.00683 0.00194 -0.01854 0.01033 202 2S 0.00152 -0.01241 -0.00989 0.00052 -0.03117 203 2PX 0.06021 -0.04056 0.00798 0.05824 0.16359 204 2PY 0.06285 -0.02605 -0.00921 0.13048 -0.12267 205 2PZ -0.00985 0.02830 0.10089 0.01400 0.06203 206 3S 0.26795 -0.15279 -0.00322 0.18935 0.10498 207 3PX -0.05641 0.03961 -0.05170 0.04534 0.06287 208 3PY 0.14993 -0.05923 -0.01384 0.15026 -0.05941 209 3PZ 0.02219 -0.01964 0.03435 0.07773 0.06986 210 4XX -0.00018 -0.00039 -0.00285 0.01520 -0.02691 211 4YY -0.02789 0.00944 -0.00982 -0.07220 0.05842 212 4ZZ -0.00959 -0.00417 0.01037 -0.01079 -0.01028 213 4XY 0.01077 -0.00515 -0.02247 0.01719 -0.01939 214 4XZ 0.00074 -0.00200 -0.00260 0.00194 -0.00282 215 4YZ 0.00166 0.00488 0.01496 -0.00744 0.00224 91 92 93 94 95 V V V V V Eigenvalues -- 0.66456 0.67571 0.69248 0.72473 0.72857 1 1 C 1S -0.01586 0.00001 0.04148 0.00521 0.00000 2 2S 0.09762 -0.00004 -0.18345 -0.00849 0.00002 3 2PX 0.09660 -0.00004 -0.20646 -0.05817 -0.00013 4 2PY 0.00020 0.03175 -0.00001 -0.00065 0.16758 5 2PZ 0.00748 -0.00001 0.02548 -0.08775 -0.00011 6 3S -0.42674 0.00012 0.75986 0.54904 0.00074 7 3PX -0.29918 0.00009 0.68822 0.36980 0.00071 8 3PY -0.00046 -0.25559 0.00002 0.00180 -0.40950 9 3PZ -0.07752 0.00000 -0.06037 0.61152 0.00097 10 4XX -0.00031 0.00001 0.05820 -0.08428 -0.00015 11 4YY -0.01784 0.00000 0.04670 0.04361 0.00008 12 4ZZ 0.01233 0.00000 -0.07517 0.05390 0.00009 13 4XY -0.00001 -0.02785 0.00000 -0.00001 0.01764 14 4XZ -0.02494 0.00001 0.01282 0.03843 0.00006 15 4YZ -0.00002 -0.01332 0.00001 0.00005 -0.01376 16 2 H 1S -0.07729 0.00002 0.39100 -0.18895 -0.00035 17 2S -0.13922 0.00001 0.13619 0.38326 0.00071 18 3 H 1S -0.05312 0.00001 -0.03120 0.20691 0.00038 19 2S -0.08353 0.00000 0.16186 0.13527 0.00023 20 4 C 1S 0.00387 -0.00932 -0.00261 -0.01303 0.00126 21 2S -0.12797 -0.11202 0.21783 0.18235 0.13115 22 2PX 0.12919 0.14774 -0.36004 0.09049 -0.05911 23 2PY 0.08085 0.10350 -0.17260 -0.28185 0.00815 24 2PZ 0.19696 -0.08514 -0.35547 -0.08996 0.29418 25 3S 0.11092 0.42814 -0.12360 -0.40806 -0.04747 26 3PX -0.27598 -0.21560 0.45152 0.19617 0.08095 27 3PY -0.07538 -0.45220 0.05824 0.58410 0.05947 28 3PZ -0.38327 0.04824 0.98698 0.01764 -0.46326 29 4XX 0.01495 0.00205 -0.02594 -0.00459 -0.00803 30 4YY -0.01012 -0.01986 -0.00188 -0.02554 0.01171 31 4ZZ -0.02511 0.00086 0.07044 0.01687 0.01131 32 4XY 0.00875 -0.00867 -0.02894 0.04705 0.01253 33 4XZ -0.00691 0.00223 0.00924 0.00772 0.00181 34 4YZ 0.01351 0.00408 -0.00479 -0.02207 0.02140 35 5 H 1S -0.04152 -0.02322 0.01610 -0.02457 -0.06022 36 2S -0.03806 0.19076 0.23847 -0.09779 -0.03908 37 6 C 1S 0.00718 -0.00725 -0.00551 -0.00228 0.01881 38 2S -0.11401 -0.00391 0.19687 0.17214 -0.10290 39 2PX -0.03903 0.03141 -0.12806 0.03404 0.38613 40 2PY -0.02599 0.05598 0.00692 -0.01168 0.01061 41 2PZ 0.09185 -0.04079 -0.19229 0.01175 -0.05684 42 3S 0.24640 -0.16677 -0.69738 -0.09072 0.32061 43 3PX 0.01081 0.05524 0.20249 -0.01789 -0.63060 44 3PY 0.00149 0.06988 -0.02838 -0.04914 0.17708 45 3PZ -0.24597 0.11020 0.59189 -0.08415 0.41697 46 4XX 0.00039 -0.00046 0.00775 -0.00297 -0.02168 47 4YY -0.01318 0.00452 0.02828 0.01855 0.00034 48 4ZZ 0.00806 -0.01829 -0.02591 0.00597 0.02263 49 4XY 0.00699 -0.00407 -0.01826 0.02063 -0.00586 50 4XZ 0.00029 -0.01210 -0.01351 0.03598 0.01236 51 4YZ -0.02061 -0.00402 0.02340 -0.02889 -0.01431 52 7 H 1S 0.05189 -0.03696 -0.13399 -0.07595 -0.01839 53 2S 0.10435 -0.01663 -0.14097 0.09855 -0.25694 54 8 C 1S 0.00386 0.00932 -0.00261 -0.01304 -0.00131 55 2S -0.12791 0.11207 0.21778 0.18238 -0.13062 56 2PX 0.12882 -0.14777 -0.35998 0.09044 0.05950 57 2PY -0.08079 0.10356 0.17260 0.28141 0.00906 58 2PZ 0.19709 0.08505 -0.35550 -0.08888 -0.29450 59 3S 0.11062 -0.42820 -0.12332 -0.40713 0.04642 60 3PX -0.27513 0.21574 0.45147 0.19562 -0.08041 61 3PY 0.07514 -0.45226 -0.05826 -0.58285 0.05764 62 3PZ -0.38335 -0.04808 0.98727 0.01568 0.46334 63 4XX 0.01496 -0.00206 -0.02596 -0.00457 0.00803 64 4YY -0.01013 0.01987 -0.00188 -0.02560 -0.01181 65 4ZZ -0.02512 -0.00085 0.07044 0.01692 -0.01125 66 4XY -0.00874 -0.00866 0.02894 -0.04714 0.01237 67 4XZ -0.00692 -0.00223 0.00924 0.00770 -0.00179 68 4YZ -0.01349 0.00408 0.00478 0.02193 0.02147 69 9 H 1S -0.04164 0.02324 0.01614 -0.02503 0.06011 70 2S -0.03807 -0.19074 0.23841 -0.09706 0.03878 71 10 C 1S 0.00719 0.00724 -0.00550 -0.00224 -0.01881 72 2S -0.11403 0.00391 0.19687 0.17156 0.10352 73 2PX -0.03881 -0.03140 -0.12813 0.03535 -0.38605 74 2PY 0.02610 0.05597 -0.00698 0.01151 0.01059 75 2PZ 0.09187 0.04080 -0.19230 0.01163 0.05681 76 3S 0.24630 0.16667 -0.69753 -0.08889 -0.32101 77 3PX 0.01023 -0.05525 0.20269 -0.01984 0.63060 78 3PY -0.00155 0.06991 0.02854 0.04903 0.17734 79 3PZ -0.24586 -0.11015 0.59213 -0.08324 -0.41707 80 4XX 0.00040 0.00046 0.00774 -0.00303 0.02167 81 4YY -0.01320 -0.00452 0.02830 0.01856 -0.00026 82 4ZZ 0.00807 0.01829 -0.02591 0.00598 -0.02262 83 4XY -0.00700 -0.00407 0.01826 -0.02060 -0.00593 84 4XZ 0.00030 0.01210 -0.01350 0.03599 -0.01223 85 4YZ 0.02060 -0.00403 -0.02339 0.02898 -0.01421 86 11 H 1S 0.05190 0.03694 -0.13395 -0.07613 0.01816 87 2S 0.10434 0.01661 -0.14103 0.09814 0.25719 88 12 C 1S 0.00276 -0.00268 0.00865 0.01228 -0.00259 89 2S -0.04913 0.16075 0.11032 0.02009 -0.15824 90 2PX 0.08796 0.35172 0.15336 -0.24292 -0.28100 91 2PY 0.00816 -0.12334 0.08409 0.16318 -0.03421 92 2PZ 0.00933 0.07433 -0.05371 0.35955 0.06386 93 3S -0.46076 -0.06390 -0.15206 0.48212 0.07399 94 3PX -0.30594 -0.63686 -0.25994 0.12939 0.59137 95 3PY 0.03390 0.61330 -0.21681 -0.58988 -0.00387 96 3PZ -0.25507 -0.30277 0.06890 -0.56392 -0.10584 97 4XX -0.01448 -0.00505 -0.00035 -0.00593 -0.03361 98 4YY 0.00965 0.03353 0.03164 0.02088 0.00012 99 4ZZ -0.01379 -0.00214 -0.00777 0.00814 0.00833 100 4XY 0.02637 -0.00828 0.01502 0.01828 -0.00441 101 4XZ -0.03854 -0.00494 0.01403 0.03815 -0.03835 102 4YZ 0.01724 -0.00780 0.02983 0.00999 -0.00082 103 13 C 1S -0.04845 -0.01152 -0.01399 -0.02536 -0.00742 104 2S 0.14737 0.11148 0.07600 0.02136 -0.06396 105 2PX 0.20896 0.15829 -0.02893 -0.18081 0.01365 106 2PY -0.60283 -0.41755 -0.21485 -0.13074 -0.06593 107 2PZ -0.03825 -0.21080 0.14102 -0.16058 0.07298 108 3S 0.65534 1.00247 0.04565 -0.20421 -0.34258 109 3PX -0.46026 -0.20459 0.17783 0.44592 -0.34011 110 3PY 0.96088 0.30837 0.43911 1.01588 0.51799 111 3PZ -0.03212 0.44350 -0.20614 0.61065 0.00408 112 4XX 0.02972 0.04554 0.01847 0.02018 0.00764 113 4YY -0.09022 -0.04751 -0.02677 -0.06419 -0.07789 114 4ZZ 0.03655 0.02675 0.00500 -0.01086 0.01357 115 4XY 0.01878 -0.01192 0.00590 0.01385 0.01418 116 4XZ 0.00319 0.03607 0.00027 -0.01664 -0.01457 117 4YZ -0.01537 -0.01396 -0.01146 -0.01774 0.02574 118 14 C 1S 0.01505 -0.02605 0.00821 -0.00170 0.02476 119 2S 0.07914 0.06429 0.04784 -0.13331 -0.09103 120 2PX -0.12810 -0.31352 -0.01837 0.09016 -0.32892 121 2PY 0.05371 0.02842 0.01945 0.12185 -0.21643 122 2PZ 0.02564 0.17857 0.02223 -0.04845 0.12001 123 3S -0.26266 0.31791 -0.19686 -0.20543 -0.20577 124 3PX 0.31048 0.73027 -0.00762 0.12231 0.67575 125 3PY -0.15238 0.76791 0.00425 -0.24234 -0.21001 126 3PZ 0.09784 -0.23518 0.04272 0.34349 -0.29210 127 4XX 0.00195 -0.00427 -0.00875 -0.04131 0.00245 128 4YY 0.02741 0.00626 0.01018 0.00631 0.03865 129 4ZZ -0.00756 -0.01633 0.00749 -0.00367 -0.03168 130 4XY -0.03051 0.01077 -0.01922 0.00603 0.00098 131 4XZ 0.00545 -0.04126 0.01071 -0.05172 0.01368 132 4YZ -0.02173 0.01046 -0.00807 -0.01908 -0.00131 133 15 C 1S 0.01503 0.02605 0.00821 -0.00161 -0.02476 134 2S 0.07896 -0.06431 0.04787 -0.13342 0.09054 135 2PX -0.12795 0.31358 -0.01839 0.08914 0.32924 136 2PY -0.05408 0.02847 -0.01942 -0.12085 -0.21682 137 2PZ 0.02582 -0.17860 0.02220 -0.04813 -0.12014 138 3S -0.26251 -0.31784 -0.19681 -0.20429 0.20515 139 3PX 0.31041 -0.73049 -0.00759 0.12385 -0.67526 140 3PY 0.15249 0.76781 -0.00445 0.24153 -0.20922 141 3PZ 0.09795 0.23517 0.04276 0.34198 0.29322 142 4XX 0.00195 0.00426 -0.00876 -0.04130 -0.00258 143 4YY 0.02733 -0.00626 0.01020 0.00651 -0.03863 144 4ZZ -0.00756 0.01634 0.00749 -0.00375 0.03166 145 4XY 0.03052 0.01077 0.01922 -0.00604 0.00096 146 4XZ 0.00542 0.04126 0.01071 -0.05162 -0.01385 147 4YZ 0.02174 0.01047 0.00807 0.01908 -0.00126 148 16 C 1S -0.04844 0.01153 -0.01399 -0.02534 0.00733 149 2S 0.14729 -0.11155 0.07606 0.02133 0.06407 150 2PX 0.20874 -0.15830 -0.02896 -0.18059 -0.01424 151 2PY 0.60263 -0.41767 0.21491 0.13059 -0.06555 152 2PZ -0.03822 0.21086 0.14101 -0.16036 -0.07356 153 3S 0.65466 -1.00239 0.04548 -0.20544 0.34147 154 3PX -0.45914 0.20457 0.17801 0.44452 0.34159 155 3PY -0.96070 0.30856 -0.43899 -1.01522 0.51454 156 3PZ -0.03161 -0.44365 -0.20603 0.61040 -0.00185 157 4XX 0.02971 -0.04554 0.01847 0.02023 -0.00758 158 4YY -0.09020 0.04753 -0.02678 -0.06436 0.07766 159 4ZZ 0.03652 -0.02677 0.00502 -0.01082 -0.01360 160 4XY -0.01874 -0.01192 -0.00590 -0.01387 0.01411 161 4XZ 0.00316 -0.03607 0.00027 -0.01664 0.01449 162 4YZ 0.01538 -0.01397 0.01146 0.01763 0.02580 163 17 C 1S 0.00277 0.00267 0.00864 0.01228 0.00264 164 2S -0.04931 -0.16075 0.11039 0.01952 0.15822 165 2PX 0.08801 -0.35172 0.15339 -0.24405 0.28010 166 2PY -0.00791 -0.12335 -0.08408 -0.16242 -0.03482 167 2PZ 0.00936 -0.07430 -0.05384 0.35992 -0.06263 168 3S -0.46006 0.06388 -0.15200 0.48498 -0.07199 169 3PX -0.30580 0.63677 -0.25971 0.13199 -0.59077 170 3PY -0.03332 0.61327 0.21674 0.58698 -0.00164 171 3PZ -0.25432 0.30272 0.06929 -0.56395 0.10388 172 4XX -0.01451 0.00503 -0.00034 -0.00608 0.03360 173 4YY 0.00967 -0.03353 0.03165 0.02099 -0.00006 174 4ZZ -0.01379 0.00215 -0.00778 0.00815 -0.00830 175 4XY -0.02638 -0.00827 -0.01503 -0.01826 -0.00447 176 4XZ -0.03850 0.00496 0.01403 0.03806 0.03846 177 4YZ -0.01725 -0.00780 -0.02983 -0.00999 -0.00084 178 18 H 1S 0.01581 0.06515 0.12346 0.16234 0.01116 179 2S -0.10211 0.04585 -0.10168 -0.52607 0.08451 180 19 H 1S 0.18943 -0.11049 0.15198 -0.11341 0.14295 181 2S -0.20151 0.22763 -0.04613 -0.16358 -0.20074 182 20 H 1S 0.18927 0.11050 0.15199 -0.11281 -0.14336 183 2S -0.20164 -0.22761 -0.04610 -0.16375 0.20016 184 21 H 1S 0.01602 -0.06516 0.12342 0.16247 -0.01060 185 2S -0.10210 -0.04586 -0.10151 -0.52520 -0.08643 186 22 O 1S 0.02531 -0.02025 0.00460 -0.00957 0.01166 187 2S -0.08852 0.04642 -0.05649 0.05125 -0.12004 188 2PX 0.05795 0.00269 0.04840 -0.02241 0.00962 189 2PY 0.25325 -0.13061 0.08599 0.15070 -0.12268 190 2PZ -0.01000 0.10570 0.02794 -0.13100 -0.09694 191 3S 0.24031 0.11269 0.21848 0.53221 -0.26089 192 3PX 0.05621 -0.03554 -0.07526 -0.11279 -0.05184 193 3PY 0.13394 -0.21047 0.01014 -0.28250 0.30098 194 3PZ -0.00406 0.04623 0.01283 0.03108 0.02075 195 4XX -0.03315 0.00793 -0.01514 0.00391 -0.02597 196 4YY 0.10751 -0.06841 0.02251 0.07183 -0.07904 197 4ZZ -0.03520 0.03816 -0.02983 0.00464 -0.02048 198 4XY 0.01358 0.00321 0.01142 0.02156 -0.00865 199 4XZ -0.00387 0.00541 -0.00638 0.00337 -0.00113 200 4YZ -0.01494 0.00582 -0.01525 -0.00181 -0.00046 201 23 O 1S 0.02532 0.02024 0.00459 -0.00954 -0.01169 202 2S -0.08856 -0.04640 -0.05649 0.05081 0.12023 203 2PX 0.05816 -0.00268 0.04839 -0.02239 -0.00966 204 2PY -0.25331 -0.13055 -0.08597 -0.15052 -0.12323 205 2PZ -0.00996 -0.10568 0.02795 -0.13128 0.09649 206 3S 0.24031 -0.11279 0.21855 0.53250 0.26281 207 3PX 0.05632 0.03555 -0.07526 -0.11307 0.05141 208 3PY -0.13403 -0.21047 -0.01011 0.28186 0.30207 209 3PZ -0.00397 -0.04622 0.01284 0.03114 -0.02064 210 4XX -0.03317 -0.00792 -0.01514 0.00382 0.02599 211 4YY 0.10755 0.06839 0.02249 0.07164 0.07930 212 4ZZ -0.03522 -0.03815 -0.02983 0.00454 0.02050 213 4XY -0.01361 0.00321 -0.01141 -0.02157 -0.00873 214 4XZ -0.00388 -0.00541 -0.00638 0.00339 0.00114 215 4YZ 0.01494 0.00582 0.01525 0.00183 -0.00046 96 97 98 99 100 V V V V V Eigenvalues -- 0.74559 0.75001 0.76837 0.79222 0.80416 1 1 C 1S -0.01859 -0.00002 -0.00001 0.00000 -0.00944 2 2S 0.13014 0.00018 0.00006 0.00002 0.08434 3 2PX -0.04177 -0.00017 0.00007 0.00010 0.14467 4 2PY -0.00051 0.36287 0.02819 -0.26298 0.00015 5 2PZ 0.13065 0.00023 -0.00001 -0.00008 -0.23160 6 3S -0.37742 -0.00022 -0.00022 0.00010 0.09796 7 3PX 0.33965 0.00093 -0.00017 -0.00019 -0.15453 8 3PY 0.00180 -1.32004 -0.14913 0.49720 -0.00032 9 3PZ -0.34753 -0.00030 -0.00015 0.00017 0.84309 10 4XX -0.03480 -0.00009 0.00002 0.00000 -0.01950 11 4YY 0.01728 0.00003 0.00000 0.00001 0.05035 12 4ZZ 0.00341 0.00005 -0.00001 -0.00001 -0.02100 13 4XY 0.00008 -0.05316 -0.03401 -0.03142 0.00001 14 4XZ -0.02406 -0.00001 -0.00001 0.00000 -0.00561 15 4YZ 0.00002 -0.01556 -0.00239 -0.00750 0.00002 16 2 H 1S -0.15074 -0.00032 -0.00002 -0.00004 -0.06483 17 2S 0.29939 0.00074 -0.00012 -0.00011 -0.19419 18 3 H 1S 0.12487 0.00035 -0.00003 -0.00004 -0.06222 19 2S -0.13612 -0.00019 -0.00001 0.00010 0.60734 20 4 C 1S 0.00841 -0.00969 0.00441 -0.01898 -0.00287 21 2S -0.24063 -0.21598 -0.03546 -0.00646 0.09913 22 2PX 0.30655 0.12408 0.15348 -0.06526 0.21237 23 2PY 0.08528 0.27198 0.11821 0.08046 -0.10297 24 2PZ -0.34385 0.02781 -0.18500 0.02087 -0.08069 25 3S 0.91104 0.52088 0.56509 0.89015 0.01723 26 3PX -0.54506 -0.66202 -0.25220 0.56543 -0.08809 27 3PY -0.18462 -0.80758 -0.31875 -0.85524 0.35367 28 3PZ 0.81314 -0.31645 0.34337 0.26360 0.01976 29 4XX -0.00251 0.03548 0.01338 0.00648 -0.00180 30 4YY -0.03502 -0.05959 -0.01411 -0.00555 -0.02505 31 4ZZ 0.02956 0.00400 0.01778 -0.00120 0.02856 32 4XY 0.01454 0.03582 -0.01308 -0.02609 0.01498 33 4XZ 0.01083 -0.00643 0.03482 0.01883 0.03208 34 4YZ -0.01047 0.03272 -0.02295 -0.04091 -0.00707 35 5 H 1S -0.04762 -0.19205 0.03836 0.03343 -0.03713 36 2S 0.03528 0.47089 0.10625 0.38976 -0.13032 37 6 C 1S -0.01372 -0.00893 0.00704 0.02268 0.00912 38 2S 0.17322 -0.17348 0.04221 -0.14378 0.22686 39 2PX -0.35891 -0.00966 -0.05119 0.07863 -0.03814 40 2PY 0.15924 0.14867 0.28142 -0.03744 0.00441 41 2PZ -0.11436 0.04430 -0.22629 -0.30245 -0.11871 42 3S -0.86167 0.72099 0.01491 -0.86647 -0.28616 43 3PX 0.62051 0.07532 0.12501 -0.01400 0.11247 44 3PY -0.33872 -0.45738 -0.69025 0.75448 -0.08659 45 3PZ 0.35564 -0.43143 0.51869 1.66297 0.17087 46 4XX 0.03683 0.00030 -0.01041 -0.02080 -0.00564 47 4YY 0.01084 0.02204 0.04345 -0.01776 0.02159 48 4ZZ -0.04376 -0.04231 -0.01498 -0.00601 0.02171 49 4XY 0.02787 -0.00656 0.00705 0.00152 0.03028 50 4XZ -0.00233 -0.01327 -0.02126 -0.01390 0.02350 51 4YZ 0.01129 -0.02189 0.00751 0.00785 -0.00544 52 7 H 1S -0.07394 -0.03879 0.10827 0.10374 0.06263 53 2S 0.03251 0.33490 -0.02461 -0.97167 -0.06961 54 8 C 1S 0.00838 0.00970 -0.00440 0.01898 -0.00288 55 2S -0.24117 0.21548 0.03529 0.00656 0.09905 56 2PX 0.30688 -0.12319 -0.15330 0.06544 0.21235 57 2PY -0.08607 0.27212 0.11802 0.08057 0.10291 58 2PZ -0.34387 -0.02878 0.18475 -0.02096 -0.08076 59 3S 0.91278 -0.51882 -0.56423 -0.89016 0.01865 60 3PX -0.54685 0.66096 0.25190 -0.56553 -0.08754 61 3PY 0.18703 -0.80787 -0.31821 -0.85554 -0.35270 62 3PZ 0.81275 0.31846 -0.34268 -0.26339 0.02039 63 4XX -0.00239 -0.03551 -0.01339 -0.00649 -0.00179 64 4YY -0.03520 0.05947 0.01411 0.00555 -0.02506 65 4ZZ 0.02959 -0.00390 -0.01776 0.00121 0.02858 66 4XY -0.01463 0.03571 -0.01307 -0.02610 -0.01493 67 4XZ 0.01082 0.00646 -0.03480 -0.01879 0.03210 68 4YZ 0.01039 0.03277 -0.02295 -0.04090 0.00713 69 9 H 1S -0.04813 0.19197 -0.03837 -0.03344 -0.03700 70 2S 0.03675 -0.47104 -0.10609 -0.38986 -0.12994 71 10 C 1S -0.01374 0.00888 -0.00705 -0.02268 0.00914 72 2S 0.17277 0.17418 -0.04217 0.14394 0.22678 73 2PX -0.35889 0.00878 0.05093 -0.07864 -0.03817 74 2PY -0.15987 0.14825 0.28134 -0.03750 -0.00438 75 2PZ -0.11447 -0.04453 0.22620 0.30240 -0.11917 76 3S -0.86002 -0.72338 -0.01555 0.86603 -0.28746 77 3PX 0.62070 -0.07371 -0.12446 0.01399 0.11277 78 3PY 0.34037 -0.45644 -0.69007 0.75480 0.08586 79 3PZ 0.35528 0.43207 -0.51835 -1.66282 0.17313 80 4XX 0.03684 -0.00020 0.01043 0.02080 -0.00565 81 4YY 0.01092 -0.02198 -0.04345 0.01777 0.02156 82 4ZZ -0.04389 0.04219 0.01495 0.00602 0.02170 83 4XY -0.02785 -0.00665 0.00704 0.00150 -0.03029 84 4XZ -0.00237 0.01330 0.02125 0.01392 0.02348 85 4YZ -0.01123 -0.02187 0.00746 0.00785 0.00543 86 11 H 1S -0.07395 0.03843 -0.10820 -0.10369 0.06282 87 2S 0.03323 -0.33451 0.02443 0.97172 -0.07087 88 12 C 1S -0.01509 0.00986 0.01680 0.00366 -0.00790 89 2S -0.01956 -0.06939 -0.05206 0.05209 0.19749 90 2PX -0.12829 -0.08988 0.08173 0.36267 -0.03898 91 2PY 0.04320 -0.54446 -0.03374 0.06960 -0.15950 92 2PZ 0.11756 0.16795 0.11368 0.04199 0.13435 93 3S 0.15149 1.86133 -1.43596 0.11999 -0.29723 94 3PX 0.08259 0.23471 -0.85975 -1.41245 -0.02426 95 3PY -0.13585 2.24619 -0.58310 0.28009 0.48404 96 3PZ -0.12231 -0.03650 -0.93751 -0.14234 -0.05658 97 4XX -0.01973 -0.03092 -0.00387 -0.00247 -0.01863 98 4YY 0.00815 0.09112 -0.00485 -0.01143 -0.01500 99 4ZZ -0.00601 -0.01526 -0.01731 0.01002 0.04130 100 4XY -0.03213 0.00034 0.00746 0.01231 0.03588 101 4XZ -0.03383 0.01583 -0.02983 0.02273 0.04512 102 4YZ -0.01488 0.00064 -0.00538 0.00855 0.02589 103 13 C 1S 0.00276 0.02582 -0.02365 0.02094 0.01980 104 2S 0.14673 0.00485 -0.35849 -0.10677 0.02517 105 2PX 0.15738 -0.02249 -0.24229 -0.16267 0.03974 106 2PY 0.15899 0.15852 -0.15003 -0.01923 -0.14388 107 2PZ 0.10327 0.06831 0.24165 0.13403 -0.05133 108 3S -0.74739 0.52827 1.12534 1.76073 1.20708 109 3PX -0.55174 0.02309 0.11889 0.49635 0.12853 110 3PY -0.06605 -1.18976 1.78628 -0.42930 -0.77374 111 3PZ -0.21997 -0.30425 -0.53665 -0.46113 0.11182 112 4XX 0.00068 0.01313 -0.00127 -0.00079 -0.00996 113 4YY -0.01771 0.04654 -0.09088 0.09736 0.14339 114 4ZZ 0.02045 -0.00248 -0.00543 -0.02294 -0.04084 115 4XY -0.00312 -0.00863 0.01425 -0.02366 -0.03311 116 4XZ 0.01008 0.03340 -0.01698 0.03635 0.01147 117 4YZ 0.00721 0.01103 -0.02807 -0.00016 0.01775 118 14 C 1S 0.00605 0.00380 -0.00161 0.02008 0.00080 119 2S 0.00935 0.10235 -0.16078 0.00046 0.24573 120 2PX -0.22330 0.08636 0.00614 -0.05862 0.07704 121 2PY 0.08201 -0.12442 0.23056 -0.40547 -0.19173 122 2PZ 0.12606 -0.11271 -0.12070 -0.13632 0.03569 123 3S 0.51776 0.91506 -1.43237 0.74022 -0.85115 124 3PX 0.19577 -0.42478 0.38992 -0.06644 -0.21176 125 3PY -0.30926 0.90069 -1.47755 1.39412 0.74088 126 3PZ -0.30484 0.03660 0.97390 0.46321 -0.16993 127 4XX 0.02229 -0.00481 -0.01258 -0.02596 0.01467 128 4YY 0.00868 0.03297 -0.05932 0.07503 -0.00758 129 4ZZ -0.02294 0.01799 -0.01312 -0.01158 0.02939 130 4XY 0.00328 -0.00039 0.00400 -0.00971 -0.02273 131 4XZ 0.03139 0.02149 -0.04261 0.01113 0.02648 132 4YZ 0.02893 -0.00194 0.00013 -0.00796 -0.02588 133 15 C 1S 0.00606 -0.00379 0.00161 -0.02007 0.00081 134 2S 0.00955 -0.10257 0.16086 -0.00026 0.24566 135 2PX -0.22311 -0.08682 -0.00629 0.05870 0.07701 136 2PY -0.08178 -0.12486 0.23062 -0.40532 0.19193 137 2PZ 0.12574 0.11298 0.12075 0.13635 0.03562 138 3S 0.51943 -0.91380 1.43268 -0.74074 -0.85096 139 3PX 0.19496 0.42540 -0.38976 0.06610 -0.21175 140 3PY 0.30754 0.90208 -1.47768 1.39360 -0.74146 141 3PZ -0.30436 -0.03690 -0.97418 -0.46340 -0.16951 142 4XX 0.02228 0.00481 0.01260 0.02598 0.01464 143 4YY 0.00874 -0.03293 0.05932 -0.07503 -0.00754 144 4ZZ -0.02290 -0.01807 0.01313 0.01161 0.02938 145 4XY -0.00328 -0.00041 0.00400 -0.00968 0.02274 146 4XZ 0.03143 -0.02149 0.04264 -0.01110 0.02646 147 4YZ -0.02892 -0.00201 0.00012 -0.00794 0.02588 148 16 C 1S 0.00282 -0.02585 0.02366 -0.02092 0.01980 149 2S 0.14655 -0.00442 0.35851 0.10676 0.02503 150 2PX 0.15725 0.02256 0.24249 0.16273 0.03958 151 2PY -0.15929 0.15817 -0.15006 -0.01911 0.14398 152 2PZ 0.10358 -0.06828 -0.24151 -0.13403 -0.05117 153 3S -0.74546 -0.53121 -1.12504 -1.75956 1.20822 154 3PX -0.55171 -0.02369 -0.11968 -0.49644 0.12885 155 3PY 0.06811 -1.19126 1.78697 -0.42869 0.77329 156 3PZ -0.22087 0.30466 0.53608 0.46098 0.11137 157 4XX 0.00072 -0.01309 0.00127 0.00080 -0.00996 158 4YY -0.01763 -0.04672 0.09094 -0.09725 0.14342 159 4ZZ 0.02044 0.00252 0.00543 0.02291 -0.04086 160 4XY 0.00315 -0.00866 0.01426 -0.02361 0.03311 161 4XZ 0.01016 -0.03341 0.01701 -0.03633 0.01149 162 4YZ -0.00723 0.01103 -0.02807 -0.00018 -0.01772 163 17 C 1S -0.01506 -0.00988 -0.01681 -0.00367 -0.00790 164 2S -0.01974 0.06925 0.05223 -0.05191 0.19768 165 2PX -0.12858 0.08923 -0.08167 -0.36261 -0.03864 166 2PY -0.04181 -0.54494 -0.03359 0.06974 0.15917 167 2PZ 0.11819 -0.16715 -0.11371 -0.04188 0.13437 168 3S 0.15541 -1.85983 1.43531 -0.12034 -0.29857 169 3PX 0.08306 -0.23423 0.85954 1.41210 -0.02561 170 3PY 0.13052 2.24772 -0.58358 0.27963 -0.48299 171 3PZ -0.12318 0.03524 0.93771 0.14229 -0.05695 172 4XX -0.01983 0.03086 0.00385 0.00244 -0.01861 173 4YY 0.00838 -0.09107 0.00486 0.01143 -0.01505 174 4ZZ -0.00605 0.01524 0.01732 -0.00998 0.04131 175 4XY 0.03213 0.00041 0.00746 0.01229 -0.03589 176 4XZ -0.03381 -0.01586 0.02983 -0.02269 0.04515 177 4YZ 0.01487 0.00068 -0.00536 0.00852 -0.02589 178 18 H 1S -0.13702 0.05198 -0.05942 0.10611 0.17311 179 2S 0.04326 0.35362 -0.50527 -0.35556 -0.06813 180 19 H 1S 0.07418 0.04072 -0.04830 0.10959 0.15291 181 2S -0.10798 0.23702 -0.64074 0.14906 0.35229 182 20 H 1S 0.07428 -0.04077 0.04843 -0.10945 0.15290 183 2S -0.10764 -0.23758 0.64078 -0.14880 0.35237 184 21 H 1S -0.13692 -0.05208 0.05932 -0.10601 0.17317 185 2S 0.04379 -0.35444 0.50566 0.35560 -0.06876 186 22 O 1S -0.00823 -0.00385 0.01685 -0.01157 0.02386 187 2S 0.04849 -0.07124 -0.15093 0.01872 -0.19526 188 2PX 0.01729 0.04756 0.08052 0.03642 -0.02641 189 2PY 0.04009 0.12925 -0.19826 0.17468 -0.32274 190 2PZ 0.07712 0.03952 -0.01650 -0.13485 -0.00432 191 3S 0.14769 0.77490 -0.53733 0.65120 -0.57039 192 3PX 0.06515 -0.03977 0.06251 -0.02695 0.09476 193 3PY -0.20963 -0.23838 0.42528 -0.48592 0.83597 194 3PZ -0.01295 -0.02313 -0.08780 0.04739 -0.07168 195 4XX 0.00738 -0.01348 -0.03948 -0.01341 -0.05420 196 4YY 0.01725 0.02897 -0.08301 0.06891 -0.11785 197 4ZZ 0.01647 -0.03078 -0.04515 0.01026 -0.05737 198 4XY -0.00966 0.01441 -0.01856 -0.00089 -0.01323 199 4XZ 0.01479 0.02643 0.00138 0.02224 -0.02710 200 4YZ -0.00348 -0.00095 0.02882 -0.00613 0.01366 201 23 O 1S -0.00823 0.00381 -0.01684 0.01159 0.02385 202 2S 0.04824 0.07150 0.15089 -0.01885 -0.19526 203 2PX 0.01745 -0.04756 -0.08047 -0.03646 -0.02646 204 2PY -0.04033 0.12884 -0.19816 0.17494 0.32275 205 2PZ 0.07720 -0.03949 0.01660 0.13487 -0.00444 206 3S 0.14936 -0.77348 0.53693 -0.65175 -0.57031 207 3PX 0.06504 0.03976 -0.06244 0.02710 0.09491 208 3PY 0.21004 -0.23710 0.42501 -0.48660 -0.83587 209 3PZ -0.01302 0.02316 0.08779 -0.04744 -0.07168 210 4XX 0.00733 0.01352 0.03948 0.01337 -0.05423 211 4YY 0.01729 -0.02880 0.08295 -0.06900 -0.11784 212 4ZZ 0.01637 0.03084 0.04514 -0.01030 -0.05737 213 4XY 0.00963 0.01440 -0.01855 -0.00086 0.01325 214 4XZ 0.01486 -0.02637 -0.00139 -0.02226 -0.02709 215 4YZ 0.00348 -0.00095 0.02882 -0.00614 -0.01367 101 102 103 104 105 V V V V V Eigenvalues -- 0.81540 0.82128 0.82602 0.82683 0.83929 1 1 C 1S 0.01584 -0.00001 -0.00903 -0.00001 0.00000 2 2S -0.08641 0.00001 -0.01256 -0.00005 0.00005 3 2PX -0.19664 -0.00004 0.56727 0.00122 0.00000 4 2PY -0.00009 0.21495 -0.00020 0.14790 -0.20111 5 2PZ 0.35867 0.00009 -0.62418 -0.00133 -0.00005 6 3S 1.26404 -0.00027 0.79335 0.00199 -0.00036 7 3PX 0.51230 0.00014 -1.40352 -0.00291 0.00004 8 3PY 0.00020 -1.55321 0.00072 -0.58514 0.85020 9 3PZ -0.73304 -0.00044 1.41733 0.00317 0.00019 10 4XX -0.04122 0.00000 0.04102 0.00010 0.00000 11 4YY 0.00086 -0.00001 0.03421 0.00007 0.00002 12 4ZZ 0.07535 0.00000 -0.05613 -0.00012 -0.00002 13 4XY -0.00001 -0.03775 0.00001 -0.01007 0.00162 14 4XZ 0.06744 0.00000 0.03817 0.00009 -0.00001 15 4YZ -0.00001 -0.06468 0.00002 -0.00970 -0.02502 16 2 H 1S -0.30111 -0.00004 -0.00281 0.00004 0.00004 17 2S 0.59111 0.00006 -1.20110 -0.00263 0.00007 18 3 H 1S 0.14171 0.00002 -0.37693 -0.00081 0.00001 19 2S -0.99796 -0.00018 0.98945 0.00218 0.00021 20 4 C 1S 0.02076 -0.02240 0.00311 0.03726 -0.00770 21 2S -0.00123 0.08298 -0.08959 -0.28512 0.08518 22 2PX -0.04793 0.11190 0.01980 0.20004 -0.17197 23 2PY -0.30560 0.38175 -0.19154 -0.35916 0.32149 24 2PZ 0.04052 0.27452 -0.05993 0.10533 -0.23656 25 3S -0.62211 0.24777 0.03217 1.01989 0.96726 26 3PX 0.01177 -0.68726 0.30183 -0.70396 0.69499 27 3PY 1.33673 -1.63380 0.62023 0.85393 -1.33819 28 3PZ -0.15008 -1.19056 -0.03151 -0.41359 1.56850 29 4XX 0.00490 0.02069 -0.00822 -0.03943 -0.01262 30 4YY 0.02437 -0.00785 -0.00076 0.06444 -0.02963 31 4ZZ -0.03328 -0.00291 -0.00752 -0.03583 0.07941 32 4XY 0.01642 0.00635 0.00305 -0.01948 0.00041 33 4XZ -0.00250 -0.00245 0.00134 -0.00364 0.01116 34 4YZ -0.00068 0.00916 0.01343 -0.05108 -0.04215 35 5 H 1S 0.16793 -0.19247 0.03783 0.28793 -0.18883 36 2S -0.80803 0.77495 -0.35444 -1.21736 1.07524 37 6 C 1S -0.03243 0.00650 0.00116 0.01970 0.00184 38 2S 0.16471 -0.00288 -0.06756 -0.11625 0.02302 39 2PX 0.06438 -0.14348 -0.03367 -0.16418 -0.15011 40 2PY 0.33454 -0.53061 0.03483 -0.32387 -0.10618 41 2PZ 0.41641 0.02155 0.07517 -0.33751 -0.47040 42 3S -0.45981 -1.24973 -0.01669 -0.17198 -1.60828 43 3PX -0.38062 0.45066 0.01955 0.61361 0.76047 44 3PY -0.99898 2.65337 -0.20533 1.32105 0.42856 45 3PZ -1.35000 0.10453 -0.19794 0.95234 2.52883 46 4XX 0.03900 0.01240 0.02610 -0.01215 0.00673 47 4YY -0.01927 -0.08643 -0.01520 -0.05850 -0.01895 48 4ZZ 0.00679 0.03631 -0.01268 0.03300 -0.04825 49 4XY -0.01961 -0.00506 0.03083 0.01071 0.00222 50 4XZ -0.01589 0.01101 0.01918 0.01935 -0.00188 51 4YZ -0.07521 -0.01978 0.00267 0.03987 0.00495 52 7 H 1S -0.28238 0.10164 0.01736 0.27263 0.11941 53 2S 1.46519 -0.89290 0.12943 -1.25648 -1.22456 54 8 C 1S 0.02078 0.02239 0.00329 -0.03724 0.00769 55 2S -0.00140 -0.08303 -0.09088 0.28473 -0.08510 56 2PX -0.04783 -0.11188 0.02060 -0.19997 0.17204 57 2PY 0.30587 0.38157 0.19327 -0.35817 0.32145 58 2PZ 0.04054 -0.27455 -0.05964 -0.10556 0.23652 59 3S -0.62203 -0.24732 0.03675 -1.01998 -0.96703 60 3PX 0.01155 0.68730 0.29910 0.70537 -0.69497 61 3PY -1.33766 -1.63311 -0.62452 0.85064 -1.33773 62 3PZ -0.15045 1.19076 -0.03264 0.41320 -1.56861 63 4XX 0.00490 -0.02069 -0.00840 0.03939 0.01263 64 4YY 0.02439 0.00785 -0.00047 -0.06442 0.02962 65 4ZZ -0.03332 0.00291 -0.00767 0.03577 -0.07939 66 4XY -0.01640 0.00635 -0.00295 -0.01946 0.00042 67 4XZ -0.00250 0.00244 0.00135 0.00365 -0.01114 68 4YZ 0.00068 0.00916 -0.01320 -0.05115 -0.04214 69 9 H 1S 0.16810 0.19237 0.03921 -0.28765 0.18878 70 2S -0.80882 -0.77455 -0.36004 1.21538 -1.07494 71 10 C 1S -0.03243 -0.00649 0.00125 -0.01970 -0.00183 72 2S 0.16463 0.00288 -0.06809 0.11602 -0.02304 73 2PX 0.06446 0.14359 -0.03438 0.16410 0.15006 74 2PY -0.33464 -0.53053 -0.03366 -0.32410 -0.10604 75 2PZ 0.41641 -0.02170 0.07356 0.33790 0.47020 76 3S -0.45905 1.24954 -0.01702 0.17197 1.60845 77 3PX -0.38085 -0.45103 0.02220 -0.61391 -0.76027 78 3PY 0.99945 2.65313 0.20067 1.32215 0.42817 79 3PZ -1.35040 -0.10388 -0.19336 -0.95347 -2.52824 80 4XX 0.03899 -0.01241 0.02605 0.01226 -0.00674 81 4YY -0.01927 0.08644 -0.01543 0.05842 0.01897 82 4ZZ 0.00681 -0.03632 -0.01256 -0.03303 0.04824 83 4XY 0.01963 -0.00509 -0.03087 0.01057 0.00220 84 4XZ -0.01592 -0.01099 0.01925 -0.01928 0.00187 85 4YZ 0.07519 -0.01980 -0.00285 0.03988 0.00494 86 11 H 1S -0.28238 -0.10150 0.01853 -0.27263 -0.11939 87 2S 1.46542 0.89254 0.12409 1.25741 1.22402 88 12 C 1S 0.00176 0.00338 -0.00460 0.01375 -0.02361 89 2S 0.03243 -0.07439 0.29114 -0.01904 0.00849 90 2PX 0.16214 0.08029 0.13810 -0.08206 -0.21759 91 2PY -0.06307 0.23684 -0.10227 -0.28756 -0.12560 92 2PZ 0.02243 0.19390 -0.01329 -0.03123 -0.27033 93 3S -0.33558 -0.35931 -1.14830 0.17733 1.24901 94 3PX -0.31917 -0.59017 -0.61707 0.18040 1.10868 95 3PY 0.29466 -0.58723 0.56678 0.84358 0.90307 96 3PZ -0.01183 -0.68364 -0.09309 -0.10705 1.24329 97 4XX -0.00054 -0.01802 -0.04491 -0.01197 0.01476 98 4YY -0.00921 -0.03157 0.02118 0.03861 0.03060 99 4ZZ 0.01231 0.02254 0.03562 -0.00122 -0.01521 100 4XY 0.00887 0.00613 0.02488 -0.00314 -0.01343 101 4XZ 0.00753 0.00666 -0.00115 -0.01020 -0.01837 102 4YZ -0.00763 0.00228 -0.04768 -0.00589 -0.01385 103 13 C 1S 0.00754 -0.00957 -0.00550 -0.00001 0.00116 104 2S -0.00772 -0.04919 -0.17061 0.04429 0.23461 105 2PX -0.05822 -0.02535 -0.10912 -0.02788 0.09579 106 2PY -0.02272 -0.03956 0.04046 -0.00451 0.07817 107 2PZ 0.11464 0.03457 0.19806 0.00482 -0.03155 108 3S 0.51319 0.00950 0.77376 0.32346 -1.84664 109 3PX 0.05029 -0.09133 -0.15870 -0.14017 -0.15299 110 3PY -0.09252 0.55599 0.33638 0.13061 -0.92625 111 3PZ -0.31938 -0.25062 -0.80534 -0.08752 0.00096 112 4XX 0.01086 0.02513 0.05142 0.00268 0.00682 113 4YY 0.02561 -0.03049 -0.03956 0.01083 -0.05567 114 4ZZ -0.01283 -0.01799 -0.03623 0.00126 0.03170 115 4XY -0.00766 -0.00328 -0.00768 -0.00136 0.02173 116 4XZ 0.02390 -0.01109 0.01509 0.00710 -0.00371 117 4YZ 0.00030 -0.01739 -0.01611 0.01400 0.00723 118 14 C 1S 0.00138 -0.01206 0.00433 0.00346 -0.00943 119 2S 0.19222 0.00740 -0.11646 0.00022 0.12785 120 2PX -0.03773 0.10355 -0.08723 -0.08713 0.11865 121 2PY -0.04312 0.07655 0.12368 0.11575 -0.04808 122 2PZ -0.00513 0.02733 -0.12359 -0.05509 0.17521 123 3S -0.27552 -0.39583 0.54743 -0.38702 0.67593 124 3PX -0.02543 -0.27175 0.09641 0.38628 -0.67507 125 3PY 0.11998 -0.48863 -0.40275 -0.56788 0.32877 126 3PZ 0.00606 -0.02065 0.27130 0.33300 -0.98448 127 4XX -0.00308 -0.01161 -0.03576 0.00577 0.01750 128 4YY 0.01524 -0.01277 0.00089 -0.02548 0.01970 129 4ZZ 0.01184 0.01005 0.01119 0.00540 0.00864 130 4XY -0.01089 0.00466 -0.03225 -0.00121 0.00978 131 4XZ 0.01180 -0.02313 -0.00771 0.00723 0.01272 132 4YZ 0.00957 0.00714 0.00338 -0.00345 0.01321 133 15 C 1S 0.00138 0.01206 0.00434 -0.00344 0.00943 134 2S 0.19227 -0.00737 -0.11643 -0.00067 -0.12793 135 2PX -0.03770 -0.10348 -0.08759 0.08674 -0.11867 136 2PY 0.04320 0.07659 -0.12424 0.11526 -0.04811 137 2PZ -0.00512 -0.02728 -0.12380 0.05456 -0.17522 138 3S -0.27537 0.39559 0.54556 0.38924 -0.67583 139 3PX -0.02555 0.27171 0.09811 -0.38579 0.67506 140 3PY -0.12039 -0.48877 0.40536 -0.56628 0.32885 141 3PZ 0.00600 0.02056 0.27272 -0.33184 0.98446 142 4XX -0.00309 0.01160 -0.03574 -0.00591 -0.01749 143 4YY 0.01525 0.01277 0.00078 0.02548 -0.01971 144 4ZZ 0.01184 -0.01004 0.01121 -0.00535 -0.00866 145 4XY 0.01089 0.00465 0.03224 -0.00107 0.00979 146 4XZ 0.01180 0.02312 -0.00768 -0.00725 -0.01272 147 4YZ -0.00956 0.00715 -0.00337 -0.00347 0.01322 148 16 C 1S 0.00755 0.00957 -0.00550 -0.00001 -0.00116 149 2S -0.00773 0.04924 -0.17042 -0.04502 -0.23454 150 2PX -0.05824 0.02538 -0.10921 0.02740 -0.09579 151 2PY 0.02270 -0.03953 -0.04043 -0.00467 0.07820 152 2PZ 0.11464 -0.03466 0.19814 -0.00397 0.03154 153 3S 0.51380 -0.00961 0.77551 -0.32003 1.84650 154 3PX 0.05028 0.09134 -0.15940 0.13949 0.15313 155 3PY 0.09269 0.55610 -0.33720 0.12927 -0.92622 156 3PZ -0.31944 0.25091 -0.80579 0.08407 -0.00086 157 4XX 0.01085 -0.02513 0.05141 -0.00246 -0.00684 158 4YY 0.02566 0.03052 -0.03949 -0.01098 0.05568 159 4ZZ -0.01283 0.01799 -0.03622 -0.00142 -0.03169 160 4XY 0.00768 -0.00328 0.00771 -0.00133 0.02173 161 4XZ 0.02392 0.01109 0.01514 -0.00703 0.00371 162 4YZ -0.00029 -0.01739 0.01606 0.01406 0.00723 163 17 C 1S 0.00178 -0.00338 -0.00453 -0.01376 0.02361 164 2S 0.03246 0.07422 0.29111 0.02035 -0.00839 165 2PX 0.16226 -0.08033 0.13780 0.08269 0.21747 166 2PY 0.06316 0.23680 0.10348 -0.28710 -0.12556 167 2PZ 0.02253 -0.19381 -0.01328 0.03113 0.27034 168 3S -0.33585 0.35984 -1.14823 -0.18246 -1.24903 169 3PX -0.31947 0.59023 -0.61646 -0.18304 -1.10844 170 3PY -0.29477 -0.58705 -0.56998 0.84107 0.90297 171 3PZ -0.01232 0.68355 -0.09419 0.10666 -1.24330 172 4XX -0.00053 0.01801 -0.04495 0.01179 -0.01475 173 4YY -0.00921 0.03155 0.02134 -0.03851 -0.03059 174 4ZZ 0.01231 -0.02254 0.03560 0.00138 0.01521 175 4XY -0.00887 0.00614 -0.02487 -0.00325 -0.01343 176 4XZ 0.00754 -0.00666 -0.00120 0.01020 0.01837 177 4YZ 0.00763 0.00226 0.04769 -0.00567 -0.01385 178 18 H 1S 0.00343 0.16105 -0.06289 -0.02752 -0.20724 179 2S 0.06177 -0.64873 0.22078 0.25123 0.97179 180 19 H 1S 0.03905 -0.11474 0.10324 0.03961 -0.10013 181 2S 0.09022 0.10933 -0.40693 -0.42158 0.64215 182 20 H 1S 0.03903 0.11469 0.10337 -0.03916 0.10019 183 2S 0.09042 -0.10913 -0.40874 0.41987 -0.64224 184 21 H 1S 0.00349 -0.16097 -0.06299 0.02726 0.20724 185 2S 0.06151 0.64852 0.22142 -0.25021 -0.97183 186 22 O 1S 0.00302 0.00404 -0.00540 0.00151 -0.00002 187 2S -0.01607 0.01319 0.12686 -0.00781 -0.07320 188 2PX -0.05112 -0.04336 -0.11000 0.01639 0.01136 189 2PY -0.05282 -0.09638 0.09495 0.03986 -0.08203 190 2PZ 0.05934 0.02936 0.07499 0.06011 0.02698 191 3S -0.15944 -0.31678 -0.12652 -0.01489 0.18042 192 3PX 0.05126 0.06386 0.06399 -0.00360 -0.04580 193 3PY 0.14963 0.18956 -0.17889 -0.06269 0.19303 194 3PZ -0.01853 -0.08239 0.04224 -0.04198 -0.02470 195 4XX 0.00086 -0.00538 0.05050 0.00613 -0.01060 196 4YY -0.02377 -0.01580 0.03652 0.00234 -0.05551 197 4ZZ -0.00927 0.00746 0.03232 0.00203 -0.02289 198 4XY 0.00015 -0.00687 -0.01069 0.00777 -0.00297 199 4XZ -0.00946 -0.00501 -0.01190 0.00510 -0.00589 200 4YZ -0.00510 0.00589 -0.02152 0.00528 -0.00075 201 23 O 1S 0.00302 -0.00403 -0.00539 -0.00153 0.00002 202 2S -0.01604 -0.01326 0.12686 0.00833 0.07318 203 2PX -0.05110 0.04345 -0.10991 -0.01691 -0.01137 204 2PY 0.05271 -0.09631 -0.09516 0.03947 -0.08202 205 2PZ 0.05934 -0.02943 0.07525 -0.05975 -0.02696 206 3S -0.15926 0.31683 -0.12667 0.01428 -0.18041 207 3PX 0.05124 -0.06395 0.06393 0.00394 0.04579 208 3PY -0.14941 0.18943 0.17924 -0.06199 0.19297 209 3PZ -0.01852 0.08240 0.04206 0.04213 0.02467 210 4XX 0.00087 0.00536 0.05054 -0.00592 0.01059 211 4YY -0.02373 0.01577 0.03655 -0.00220 0.05551 212 4ZZ -0.00926 -0.00749 0.03233 -0.00189 0.02288 213 4XY -0.00015 -0.00687 0.01066 0.00781 -0.00297 214 4XZ -0.00945 0.00501 -0.01189 -0.00516 0.00589 215 4YZ 0.00511 0.00588 0.02149 0.00537 -0.00075 106 107 108 109 110 V V V V V Eigenvalues -- 0.84247 0.86570 0.87301 0.88290 0.89335 1 1 C 1S 0.00000 -0.00017 0.00002 -0.02412 0.01834 2 2S 0.00000 -0.41050 -0.00010 0.13699 -0.64840 3 2PX 0.00003 0.31740 0.00002 -0.29536 0.28369 4 2PY 0.09645 0.00001 -0.00327 -0.00005 0.00003 5 2PZ -0.00002 -0.02939 0.00003 0.30966 0.19869 6 3S 0.00023 1.06385 0.00011 0.26442 1.07154 7 3PX -0.00007 -0.80122 0.00022 0.34957 -0.63241 8 3PY -0.26490 0.00007 -0.47049 -0.00002 -0.00012 9 3PZ 0.00011 -0.07678 -0.00001 -0.70063 -0.52197 10 4XX 0.00000 0.04623 0.00003 -0.06962 0.03754 11 4YY 0.00000 -0.05690 -0.00002 0.04034 -0.12113 12 4ZZ 0.00000 -0.03831 -0.00001 0.04755 -0.00056 13 4XY -0.00112 0.00001 -0.01413 -0.00003 0.00002 14 4XZ 0.00001 -0.01897 -0.00001 0.06596 -0.04670 15 4YZ 0.01471 -0.00001 -0.02075 0.00000 -0.00002 16 2 H 1S -0.00004 0.16438 0.00026 -0.59945 0.39574 17 2S -0.00007 -0.94614 -0.00013 0.85821 -0.98805 18 3 H 1S -0.00003 -0.08736 0.00007 -0.07315 0.25760 19 2S 0.00003 -0.14095 0.00001 -0.62387 -0.74232 20 4 C 1S 0.01516 0.00164 -0.01631 0.01327 -0.00406 21 2S -0.17322 -0.20282 0.02999 -0.18517 -0.13294 22 2PX 0.07298 0.00952 0.18753 -0.03368 0.07036 23 2PY -0.21546 0.00927 0.00331 -0.14252 0.02267 24 2PZ 0.02242 -0.05397 0.13221 0.00700 0.01485 25 3S 0.30126 0.42416 -0.39065 0.66092 0.30158 26 3PX -0.26356 0.02010 -0.36242 0.12504 -0.19198 27 3PY 0.78658 0.06894 -0.17161 0.31148 -0.14767 28 3PZ -0.22275 0.31251 -0.84581 0.36832 -0.01852 29 4XX 0.00167 -0.01219 -0.00776 -0.01223 -0.01270 30 4YY 0.01227 -0.00601 0.00895 0.04432 0.00733 31 4ZZ -0.02721 -0.00228 -0.02117 -0.03021 -0.01604 32 4XY -0.00583 -0.00703 -0.00460 0.03727 -0.02887 33 4XZ 0.00453 -0.03078 -0.01100 0.01546 -0.02740 34 4YZ -0.00183 -0.00136 0.00902 -0.04572 -0.01514 35 5 H 1S 0.14426 -0.03924 0.00510 0.10831 0.02193 36 2S -0.69889 -0.06584 -0.02917 -0.39637 -0.05382 37 6 C 1S 0.00304 -0.00200 -0.00425 0.00946 -0.00579 38 2S -0.10577 -0.05678 0.22959 -0.18284 -0.01326 39 2PX 0.03325 -0.00958 0.10234 -0.05460 0.07807 40 2PY 0.12534 0.07036 -0.15409 -0.11658 0.04197 41 2PZ -0.03001 0.00334 0.26526 -0.26756 0.02094 42 3S 0.88774 -0.32143 -0.50915 0.15249 -0.01944 43 3PX -0.10773 0.05427 -0.29911 0.09647 -0.04072 44 3PY -0.58943 -0.28602 0.77729 -0.00062 -0.05255 45 3PZ -0.16276 0.00371 -1.24269 0.51305 -0.04177 46 4XX -0.01340 0.02690 0.00348 -0.04351 0.00930 47 4YY 0.01587 -0.01562 -0.01724 -0.01224 -0.01049 48 4ZZ 0.00193 -0.01801 0.04586 0.02340 0.00043 49 4XY 0.00379 0.00951 0.00112 0.04996 0.00124 50 4XZ -0.00735 0.02190 0.02167 0.02634 0.01014 51 4YZ 0.00956 0.02715 -0.00604 0.09956 0.00462 52 7 H 1S 0.01233 0.07447 -0.00954 0.38203 -0.03342 53 2S 0.11625 0.05793 0.44901 -0.75198 0.05493 54 8 C 1S -0.01515 0.00164 0.01630 0.01327 -0.00405 55 2S 0.17316 -0.20271 -0.02967 -0.18508 -0.13286 56 2PX -0.07297 0.00960 -0.18756 -0.03375 0.07033 57 2PY -0.21538 -0.00925 0.00336 0.14249 -0.02270 58 2PZ -0.02245 -0.05390 -0.13209 0.00692 0.01480 59 3S -0.30127 0.42351 0.38951 0.66096 0.30142 60 3PX 0.26360 0.01976 0.36224 0.12519 -0.19198 61 3PY 0.78615 -0.06904 -0.17179 -0.31146 0.14775 62 3PZ 0.22278 0.31201 0.84527 0.36875 -0.01822 63 4XX -0.00168 -0.01220 0.00775 -0.01222 -0.01271 64 4YY -0.01227 -0.00599 -0.00894 0.04430 0.00734 65 4ZZ 0.02720 -0.00230 0.02117 -0.03018 -0.01603 66 4XY -0.00583 0.00702 -0.00457 -0.03729 0.02886 67 4XZ -0.00453 -0.03078 0.01100 0.01546 -0.02740 68 4YZ -0.00184 0.00135 0.00900 0.04573 0.01514 69 9 H 1S -0.14424 -0.03924 -0.00508 0.10824 0.02193 70 2S 0.69862 -0.06593 0.02919 -0.39618 -0.05372 71 10 C 1S -0.00304 -0.00200 0.00425 0.00946 -0.00579 72 2S 0.10585 -0.05669 -0.22966 -0.18290 -0.01323 73 2PX -0.03328 -0.00954 -0.10223 -0.05467 0.07805 74 2PY 0.12522 -0.07025 -0.15400 0.11657 -0.04194 75 2PZ 0.03011 0.00349 -0.26519 -0.26767 0.02090 76 3S -0.88799 -0.32151 0.50990 0.15256 -0.01970 77 3PX 0.10776 0.05408 0.29874 0.09663 -0.04061 78 3PY -0.58908 0.28551 0.77691 0.00079 0.05247 79 3PZ 0.16241 0.00291 1.24240 0.51367 -0.04156 80 4XX 0.01341 0.02691 -0.00350 -0.04349 0.00931 81 4YY -0.01587 -0.01563 0.01724 -0.01223 -0.01049 82 4ZZ -0.00193 -0.01799 -0.04584 0.02337 0.00042 83 4XY 0.00380 -0.00950 0.00115 -0.04997 -0.00123 84 4XZ 0.00736 0.02192 -0.02169 0.02634 0.01015 85 4YZ 0.00957 -0.02714 -0.00598 -0.09956 -0.00462 86 11 H 1S -0.01236 0.07447 0.00942 0.38201 -0.03341 87 2S -0.11588 0.05816 -0.44885 -0.75222 0.05482 88 12 C 1S 0.01349 0.00879 -0.00941 0.01176 -0.00026 89 2S -0.07513 -0.39867 0.25171 0.07516 -0.27512 90 2PX 0.01065 0.18998 0.12642 0.28967 0.11425 91 2PY 0.06792 0.16667 -0.21445 0.03161 0.13480 92 2PZ 0.15136 0.26764 -0.55887 0.14047 0.24751 93 3S 0.29104 0.75513 -0.03336 -0.62316 0.44817 94 3PX 0.08322 -0.51004 -0.17533 -0.65224 -0.27994 95 3PY -0.55658 -0.31650 1.04564 0.14958 -0.17769 96 3PZ -0.37087 -0.61992 1.78727 -0.44667 -0.46919 97 4XX -0.00074 -0.03328 0.01198 0.00870 -0.02487 98 4YY -0.01372 -0.02712 0.04136 0.00839 -0.02636 99 4ZZ 0.01296 0.00505 -0.00338 -0.00333 -0.00415 100 4XY -0.00681 0.04074 -0.00471 0.04457 0.02063 101 4XZ 0.02599 0.01815 -0.01178 0.03582 0.00254 102 4YZ -0.00034 0.03715 -0.02130 0.00498 0.05062 103 13 C 1S -0.00297 -0.00107 -0.00235 -0.00559 -0.01131 104 2S 0.13138 -0.05254 -0.13738 -0.29274 -0.26616 105 2PX -0.10801 0.00042 -0.08656 0.07573 0.04227 106 2PY 0.06576 0.01432 0.01491 0.00566 0.09610 107 2PZ -0.00148 0.05768 0.04803 0.10129 -0.03556 108 3S -1.25936 0.05476 -0.13369 0.86179 0.83185 109 3PX 0.22941 -0.08418 0.42012 -0.37625 -0.09862 110 3PY -0.46924 0.03241 -0.38852 0.24641 0.25324 111 3PZ 0.07671 -0.18341 -0.43138 -0.48441 0.11064 112 4XX 0.02127 0.02362 0.03713 0.01556 -0.02554 113 4YY -0.07110 -0.03088 -0.07339 -0.01197 0.02394 114 4ZZ 0.02033 -0.00559 -0.00958 -0.03511 -0.02067 115 4XY -0.02351 0.00250 0.01258 -0.01951 -0.00517 116 4XZ 0.00095 0.00854 -0.00127 -0.00714 -0.02454 117 4YZ -0.03233 -0.00480 -0.01449 -0.03145 0.00473 118 14 C 1S -0.02611 -0.01353 -0.00004 -0.00431 0.00716 119 2S 0.16373 0.47553 -0.16328 -0.23010 -0.30387 120 2PX 0.40088 0.23173 0.09267 0.04849 -0.23741 121 2PY -0.36706 -0.21982 -0.18495 0.04038 0.17949 122 2PZ 0.41112 0.26824 -0.01758 -0.02792 -0.25015 123 3S 0.96575 -0.99833 0.98895 0.44299 0.57285 124 3PX -1.57539 -0.55295 -0.50420 -0.10765 0.51934 125 3PY 1.65455 0.46060 0.70463 -0.13076 -0.29803 126 3PZ -1.63192 -0.58939 -0.00959 0.00082 0.54463 127 4XX -0.00832 0.00032 -0.02960 -0.02406 -0.01704 128 4YY 0.08014 0.03918 0.02982 -0.02113 -0.02517 129 4ZZ -0.01386 0.01826 -0.01248 0.00627 -0.00658 130 4XY 0.01823 0.05386 -0.00335 -0.01474 -0.04046 131 4XZ -0.04228 -0.04091 -0.02356 -0.02647 0.03079 132 4YZ 0.02042 0.06809 0.00812 -0.00853 -0.06419 133 15 C 1S 0.02611 -0.01354 0.00003 -0.00431 0.00716 134 2S -0.16359 0.47550 0.16345 -0.23006 -0.30387 135 2PX -0.40081 0.23175 -0.09246 0.04844 -0.23745 136 2PY -0.36706 0.21998 -0.18480 -0.04044 -0.17950 137 2PZ -0.41110 0.26827 0.01781 -0.02792 -0.25019 138 3S -0.96602 -0.99806 -0.98932 0.44270 0.57278 139 3PX 1.57507 -0.55306 0.50370 -0.10745 0.51965 140 3PY 1.65462 -0.46111 0.70439 0.13110 0.29778 141 3PZ 1.63184 -0.58948 0.00901 0.00078 0.54488 142 4XX 0.00831 0.00032 0.02964 -0.02405 -0.01705 143 4YY -0.08013 0.03919 -0.02982 -0.02114 -0.02516 144 4ZZ 0.01388 0.01825 0.01247 0.00627 -0.00659 145 4XY 0.01825 -0.05387 -0.00339 0.01473 0.04046 146 4XZ 0.04227 -0.04092 0.02354 -0.02646 0.03078 147 4YZ 0.02041 -0.06810 0.00808 0.00853 0.06420 148 16 C 1S 0.00297 -0.00107 0.00236 -0.00559 -0.01131 149 2S -0.13143 -0.05269 0.13763 -0.29280 -0.26623 150 2PX 0.10798 0.00039 0.08665 0.07580 0.04228 151 2PY 0.06577 -0.01433 0.01496 -0.00565 -0.09607 152 2PZ 0.00152 0.05769 -0.04809 0.10132 -0.03562 153 3S 1.25969 0.05536 0.13277 0.86235 0.83244 154 3PX -0.22934 -0.08421 -0.42015 -0.37664 -0.09850 155 3PY -0.46916 -0.03246 -0.38830 -0.24671 -0.25330 156 3PZ -0.07687 -0.18355 0.43155 -0.48452 0.11104 157 4XX -0.02125 0.02363 -0.03713 0.01553 -0.02556 158 4YY 0.07110 -0.03090 0.07339 -0.01195 0.02397 159 4ZZ -0.02034 -0.00559 0.00961 -0.03509 -0.02067 160 4XY -0.02351 -0.00249 0.01257 0.01952 0.00517 161 4XZ -0.00094 0.00854 0.00127 -0.00714 -0.02455 162 4YZ -0.03232 0.00481 -0.01450 0.03145 -0.00473 163 17 C 1S -0.01349 0.00880 0.00940 0.01177 -0.00025 164 2S 0.07513 -0.39877 -0.25167 0.07497 -0.27529 165 2PX -0.01058 0.19011 -0.12650 0.28974 0.11425 166 2PY 0.06795 -0.16657 -0.21444 -0.03169 -0.13477 167 2PZ -0.15133 0.26768 0.55872 0.14077 0.24770 168 3S -0.29125 0.75525 0.03369 -0.62329 0.44864 169 3PX -0.08331 -0.51048 0.17549 -0.65254 -0.27985 170 3PY -0.55674 0.31610 1.04576 -0.14929 0.17767 171 3PZ 0.37082 -0.62022 -1.78702 -0.44782 -0.46978 172 4XX 0.00074 -0.03329 -0.01199 0.00871 -0.02488 173 4YY 0.01371 -0.02712 -0.04134 0.00837 -0.02637 174 4ZZ -0.01294 0.00505 0.00338 -0.00334 -0.00415 175 4XY -0.00682 -0.04075 -0.00468 -0.04458 -0.02063 176 4XZ -0.02599 0.01815 0.01180 0.03582 0.00255 177 4YZ -0.00035 -0.03715 -0.02130 -0.00501 -0.05063 178 18 H 1S 0.10398 0.18056 -0.22620 0.04217 0.23719 179 2S -0.49355 -0.88624 1.41321 -0.29149 -0.65999 180 19 H 1S -0.38469 -0.29948 -0.05103 0.08506 0.30403 181 2S 1.86205 1.18489 0.29372 -0.12008 -0.98375 182 20 H 1S 0.38467 -0.29954 0.05080 0.08508 0.30406 183 2S -1.86185 1.18516 -0.29291 -0.12020 -0.98387 184 21 H 1S -0.10394 0.18061 0.22610 0.04235 0.23729 185 2S 0.49353 -0.88640 -1.41302 -0.29243 -0.66041 186 22 O 1S 0.00619 -0.00237 0.00193 -0.00204 -0.00306 187 2S -0.11056 0.05996 -0.15738 -0.01408 -0.10986 188 2PX -0.01445 0.06582 0.05688 0.02085 0.04443 189 2PY -0.09507 0.06016 -0.08832 0.00112 -0.08332 190 2PZ -0.00969 0.01617 -0.09563 0.02750 -0.02145 191 3S 0.08009 -0.05122 0.38641 0.00699 0.17318 192 3PX 0.04721 -0.03144 0.03628 -0.00057 -0.04379 193 3PY 0.26116 -0.12838 0.16587 -0.02656 0.06348 194 3PZ -0.01266 0.05723 0.02633 0.02796 0.00859 195 4XX -0.02700 0.02838 -0.06294 0.00841 -0.02155 196 4YY -0.05891 0.02471 -0.06182 -0.02008 -0.07198 197 4ZZ -0.02447 0.01118 -0.02967 0.00036 -0.01761 198 4XY -0.01379 0.01646 0.00521 -0.01874 -0.01432 199 4XZ -0.00115 0.00233 0.01484 -0.01099 -0.00925 200 4YZ -0.00423 0.01218 0.01004 -0.01265 0.00962 201 23 O 1S -0.00619 -0.00237 -0.00193 -0.00204 -0.00306 202 2S 0.11056 0.05989 0.15739 -0.01406 -0.10986 203 2PX 0.01444 0.06586 -0.05686 0.02081 0.04442 204 2PY -0.09504 -0.06013 -0.08836 -0.00111 0.08328 205 2PZ 0.00970 0.01615 0.09568 0.02754 -0.02141 206 3S -0.08023 -0.05105 -0.38640 0.00695 0.17328 207 3PX -0.04722 -0.03147 -0.03629 -0.00062 -0.04378 208 3PY 0.26109 0.12834 0.16589 0.02659 -0.06336 209 3PZ 0.01267 0.05722 -0.02639 0.02790 0.00862 210 4XX 0.02701 0.02836 0.06292 0.00842 -0.02154 211 4YY 0.05889 0.02469 0.06185 -0.02007 -0.07197 212 4ZZ 0.02447 0.01116 0.02967 0.00035 -0.01762 213 4XY -0.01379 -0.01646 0.00520 0.01875 0.01432 214 4XZ 0.00114 0.00234 -0.01483 -0.01100 -0.00924 215 4YZ -0.00423 -0.01217 0.01004 0.01265 -0.00961 111 112 113 114 115 V V V V V Eigenvalues -- 0.91568 0.92348 0.92857 0.94900 0.95853 1 1 C 1S -0.00002 -0.01416 0.02257 0.01638 0.00000 2 2S 0.00021 -0.03714 -0.31460 -0.51930 0.00025 3 2PX -0.00005 0.07638 0.26390 0.23146 -0.00005 4 2PY 0.16821 -0.00015 0.00006 0.00009 0.07946 5 2PZ -0.00008 -0.02431 0.15389 0.29453 -0.00008 6 3S -0.00004 0.57744 1.02548 1.34258 -0.00068 7 3PX -0.00006 -0.49195 -0.47990 -0.43513 0.00031 8 3PY -1.16400 0.00095 -0.00031 -0.00041 -0.38526 9 3PZ 0.00044 0.24134 -0.50883 -0.07723 -0.00024 10 4XX -0.00010 -0.09336 0.02428 -0.10305 0.00009 11 4YY 0.00009 0.04686 -0.06044 -0.06254 0.00002 12 4ZZ 0.00003 0.04597 0.02050 0.11041 -0.00008 13 4XY -0.00819 -0.00001 0.00000 0.00002 0.03025 14 4XZ -0.00004 -0.03472 0.03232 -0.02689 0.00003 15 4YZ -0.03595 0.00001 0.00000 -0.00005 -0.02693 16 2 H 1S -0.00042 -0.33515 0.25805 0.12074 0.00013 17 2S 0.00035 -0.00309 -0.62424 -0.41248 0.00006 18 3 H 1S 0.00009 0.14373 0.18934 0.65085 -0.00031 19 2S 0.00022 -0.19115 -0.74988 -1.07146 0.00043 20 4 C 1S -0.02351 0.00399 -0.00166 -0.00196 -0.00375 21 2S -0.35507 0.42448 0.22947 0.06500 -0.30942 22 2PX 0.12019 -0.18222 0.12239 -0.06836 -0.04111 23 2PY 0.01432 0.49359 -0.12938 -0.03309 -0.02502 24 2PZ 0.20022 -0.12571 -0.06076 0.06582 0.00302 25 3S 1.25635 -1.16586 -0.30863 -0.46954 0.86259 26 3PX -0.36393 0.51471 -0.12715 0.16071 -0.06101 27 3PY -0.11153 -0.60199 0.18590 0.11074 0.19929 28 3PZ -0.68249 0.34481 0.04923 -0.43584 0.13398 29 4XX 0.01369 0.08334 -0.02637 0.02495 0.00172 30 4YY -0.06808 -0.07334 0.05139 -0.00865 -0.04288 31 4ZZ -0.00958 0.06234 0.00229 -0.01258 0.01182 32 4XY -0.00011 0.06964 0.00285 0.04246 0.01028 33 4XZ -0.00479 -0.00844 -0.01360 -0.01241 -0.02254 34 4YZ 0.03160 0.01284 -0.00763 -0.03412 0.02840 35 5 H 1S -0.07805 -0.48561 0.08697 -0.11650 -0.07417 36 2S -0.10695 1.23378 -0.17077 0.07558 -0.13147 37 6 C 1S -0.00320 -0.00179 -0.00260 -0.00250 -0.00690 38 2S -0.51691 0.20327 0.06939 -0.42160 -0.23598 39 2PX 0.12455 0.02913 0.17430 -0.15997 -0.08707 40 2PY 0.21121 0.16720 -0.01603 -0.15336 0.05498 41 2PZ -0.07537 0.06513 0.03906 -0.14559 -0.07416 42 3S 2.08199 -0.69455 -0.00048 1.26520 0.90800 43 3PX -0.15196 -0.13104 -0.24177 0.16000 0.25314 44 3PY -0.96414 -0.37211 -0.05032 0.47433 -0.76510 45 3PZ 0.28958 -0.17031 -0.24019 0.14224 0.28886 46 4XX -0.03220 0.03224 -0.01390 -0.00686 0.01067 47 4YY 0.01086 0.01072 0.00901 -0.02686 0.00673 48 4ZZ -0.03963 -0.02596 0.00644 -0.01291 -0.04373 49 4XY -0.00968 0.01926 -0.01463 0.02569 -0.00055 50 4XZ -0.01441 0.00749 0.01482 0.01139 -0.00055 51 4YZ -0.02286 -0.01590 0.00536 -0.00129 -0.00827 52 7 H 1S -0.05534 0.05070 0.01549 0.04863 0.00487 53 2S -0.09927 0.37747 0.16864 -0.59717 -0.04531 54 8 C 1S 0.02351 0.00394 -0.00164 -0.00196 0.00375 55 2S 0.35571 0.42404 0.22950 0.06541 0.30900 56 2PX -0.12067 -0.18201 0.12233 -0.06839 0.04133 57 2PY 0.01331 -0.49361 0.12942 0.03313 -0.02467 58 2PZ -0.20046 -0.12534 -0.06092 0.06587 -0.00312 59 3S -1.25826 -1.16403 -0.30883 -0.47099 -0.86069 60 3PX 0.36507 0.51426 -0.12696 0.16109 0.06048 61 3PY -0.11037 0.60200 -0.18591 -0.11074 0.19895 62 3PZ 0.68320 0.34335 0.04984 -0.43632 -0.13333 63 4XX -0.01351 0.08338 -0.02638 0.02499 -0.00181 64 4YY 0.06787 -0.07348 0.05141 -0.00862 0.04293 65 4ZZ 0.00972 0.06233 0.00231 -0.01261 -0.01183 66 4XY -0.00026 -0.06965 -0.00286 -0.04246 0.01037 67 4XZ 0.00479 -0.00845 -0.01362 -0.01239 0.02254 68 4YZ 0.03157 -0.01291 0.00765 0.03416 0.02838 69 9 H 1S 0.07698 -0.48590 0.08702 -0.11643 0.07454 70 2S 0.10943 1.23372 -0.17075 0.07571 0.13048 71 10 C 1S 0.00320 -0.00179 -0.00260 -0.00249 0.00691 72 2S 0.51747 0.20220 0.06983 -0.42159 0.23664 73 2PX -0.12469 0.02944 0.17416 -0.15985 0.08730 74 2PY 0.21084 -0.16764 0.01625 0.15341 0.05490 75 2PZ 0.07547 0.06499 0.03909 -0.14547 0.07422 76 3S -2.08377 -0.69000 -0.00235 1.26520 -0.90981 77 3PX 0.15207 -0.13156 -0.24148 0.15953 -0.25317 78 3PY -0.96331 0.37413 0.04965 -0.47499 -0.76458 79 3PZ -0.28978 -0.16975 -0.24031 0.14162 -0.28882 80 4XX 0.03227 0.03217 -0.01387 -0.00689 -0.01070 81 4YY -0.01082 0.01074 0.00901 -0.02688 -0.00666 82 4ZZ 0.03958 -0.02602 0.00645 -0.01287 0.04377 83 4XY -0.00971 -0.01923 0.01462 -0.02569 -0.00049 84 4XZ 0.01440 0.00747 0.01484 0.01138 0.00054 85 4YZ -0.02282 0.01595 -0.00538 0.00127 -0.00832 86 11 H 1S 0.05542 0.05057 0.01557 0.04861 -0.00488 87 2S 0.10004 0.37727 0.16872 -0.59711 0.04585 88 12 C 1S -0.00934 0.00610 -0.01079 0.00133 -0.01248 89 2S 0.34890 -0.04839 0.25662 0.21790 0.23795 90 2PX -0.04264 0.21586 -0.00541 0.01297 -0.12502 91 2PY 0.22560 -0.00395 -0.09421 -0.06129 0.24172 92 2PZ -0.23311 0.06934 0.02484 -0.02410 -0.06233 93 3S -1.36905 -0.16265 -0.77405 -0.32697 0.28293 94 3PX 0.22061 -0.53734 -0.28345 0.00438 1.67156 95 3PY -1.40691 0.02633 0.29181 0.09239 -2.65344 96 3PZ 1.13351 -0.34611 -0.14135 0.05256 1.44593 97 4XX 0.02070 -0.00865 -0.00694 0.00120 0.01871 98 4YY -0.01752 -0.01845 0.03385 0.00488 -0.01664 99 4ZZ 0.02849 0.02793 -0.01143 0.02118 0.03491 100 4XY -0.01250 0.00598 0.00492 0.00600 -0.02806 101 4XZ 0.03682 0.01173 0.03235 -0.00739 0.04688 102 4YZ -0.00319 -0.01389 -0.04357 -0.06882 -0.01235 103 13 C 1S 0.01516 -0.00138 0.01334 0.00803 -0.00794 104 2S 0.64092 0.02711 0.31836 0.07690 -0.07837 105 2PX -0.06833 -0.06770 0.23136 -0.12995 -0.24811 106 2PY -0.09367 -0.03351 -0.06097 -0.04757 0.14598 107 2PZ 0.09589 0.07332 0.13143 -0.02471 -0.27935 108 3S -2.57199 0.12824 -1.30718 0.42550 0.44083 109 3PX 0.31307 -0.03825 -1.00355 0.37343 3.06903 110 3PY 0.38703 0.44391 -0.11506 0.09043 -0.50299 111 3PZ -0.41297 -0.33711 -0.91899 0.31767 3.02252 112 4XX 0.02614 0.01978 0.02243 0.02509 0.02654 113 4YY 0.05568 0.00850 0.02086 0.01995 -0.04758 114 4ZZ -0.00854 -0.02764 -0.00608 -0.02179 0.00503 115 4XY -0.00146 -0.02851 -0.05077 0.00034 0.02135 116 4XZ 0.02112 0.00728 0.00697 0.02181 0.01479 117 4YZ 0.00209 -0.02056 -0.03848 0.00177 0.00757 118 14 C 1S -0.00402 -0.00572 -0.02393 0.00683 0.00189 119 2S 0.17966 -0.20100 -0.67679 0.29364 -0.28620 120 2PX 0.11123 0.02328 0.21194 -0.01115 -0.20242 121 2PY 0.28448 0.07402 0.02729 -0.03859 -0.20885 122 2PZ 0.01926 -0.02592 0.17497 0.02947 -0.26799 123 3S -1.26593 0.46945 1.95519 -0.88130 1.67626 124 3PX -0.65075 -0.04258 -0.60394 0.07148 1.66294 125 3PY -1.74560 -0.28649 -0.57172 0.29183 3.87966 126 3PZ -0.25717 0.08640 -0.68941 0.06340 2.31573 127 4XX 0.01036 -0.03252 0.00305 0.00354 -0.05346 128 4YY -0.04445 -0.01214 -0.07337 0.02599 0.04403 129 4ZZ 0.04738 0.00863 -0.01146 -0.00288 -0.02391 130 4XY -0.00066 -0.00848 0.03731 -0.02057 0.00273 131 4XZ 0.02579 -0.02900 -0.05684 0.00303 -0.03898 132 4YZ 0.00888 0.00211 0.02885 0.01852 -0.00033 133 15 C 1S 0.00403 -0.00573 -0.02393 0.00682 -0.00190 134 2S -0.17952 -0.20049 -0.67720 0.29393 0.28552 135 2PX -0.11137 0.02360 0.21175 -0.01097 0.20259 136 2PY 0.28433 -0.07481 -0.02690 0.03823 -0.20887 137 2PZ -0.01948 -0.02574 0.17478 0.02976 0.26803 138 3S 1.26515 0.46612 1.95751 -0.88250 -1.67444 139 3PX 0.65135 -0.04488 -0.60275 0.06949 -1.66382 140 3PY -1.74544 0.29261 0.56825 -0.28693 3.87992 141 3PZ 0.25802 0.08451 -0.68800 0.06060 -2.31612 142 4XX -0.01043 -0.03248 0.00301 0.00360 0.05344 143 4YY 0.04448 -0.01226 -0.07331 0.02593 -0.04410 144 4ZZ -0.04734 0.00875 -0.01152 -0.00284 0.02394 145 4XY -0.00060 0.00847 -0.03730 0.02055 0.00273 146 4XZ -0.02580 -0.02892 -0.05689 0.00308 0.03896 147 4YZ 0.00889 -0.00215 -0.02885 -0.01854 -0.00033 148 16 C 1S -0.01516 -0.00135 0.01332 0.00804 0.00795 149 2S -0.64093 0.02838 0.31767 0.07703 0.07867 150 2PX 0.06794 -0.06762 0.23130 -0.12960 0.24830 151 2PY -0.09360 0.03371 0.06086 0.04756 0.14600 152 2PZ -0.09591 0.07375 0.13126 -0.02428 0.27936 153 3S 2.57293 0.12300 -1.30455 0.42521 -0.44261 154 3PX -0.31196 -0.03974 -1.00236 0.36924 -3.06927 155 3PY 0.38599 -0.44505 0.11554 -0.09056 -0.50308 156 3PZ 0.41323 -0.34010 -0.91758 0.31327 -3.02314 157 4XX -0.02608 0.01982 0.02243 0.02508 -0.02651 158 4YY -0.05565 0.00863 0.02077 0.01996 0.04760 159 4ZZ 0.00847 -0.02766 -0.00608 -0.02178 -0.00504 160 4XY -0.00144 0.02853 0.05075 -0.00031 0.02135 161 4XZ -0.02110 0.00733 0.00696 0.02184 -0.01482 162 4YZ 0.00209 0.02058 0.03849 -0.00173 0.00757 163 17 C 1S 0.00935 0.00609 -0.01079 0.00134 0.01246 164 2S -0.34907 -0.04786 0.25669 0.21785 -0.23815 165 2PX 0.04298 0.21600 -0.00534 0.01324 0.12484 166 2PY 0.22557 0.00348 0.09430 0.06163 0.24169 167 2PZ 0.23307 0.06908 0.02478 -0.02411 0.06223 168 3S 1.36944 -0.16586 -0.77352 -0.32742 -0.28247 169 3PX -0.22129 -0.53851 -0.28306 0.00154 -1.67113 170 3PY -1.40672 -0.02483 -0.29202 -0.09658 -2.65344 171 3PZ -1.13361 -0.34526 -0.14100 0.05087 -1.44553 172 4XX -0.02071 -0.00862 -0.00696 0.00120 -0.01872 173 4YY 0.01747 -0.01849 0.03388 0.00494 0.01664 174 4ZZ -0.02841 0.02796 -0.01142 0.02111 -0.03494 175 4XY -0.01249 -0.00596 -0.00491 -0.00601 -0.02806 176 4XZ -0.03682 0.01178 0.03234 -0.00746 -0.04687 177 4YZ -0.00317 0.01388 0.04357 0.06882 -0.01237 178 18 H 1S -0.03154 -0.00010 -0.28607 -0.13730 0.09196 179 2S 0.43364 -0.26704 0.30604 0.37718 0.22398 180 19 H 1S 0.01100 0.00240 -0.11647 0.00198 -0.08012 181 2S -0.08981 -0.17871 0.16875 0.21297 -0.46274 182 20 H 1S -0.01090 0.00244 -0.11651 0.00202 0.08007 183 2S 0.08928 -0.17873 0.16854 0.21340 0.46255 184 21 H 1S 0.03168 -0.00011 -0.28604 -0.13762 -0.09205 185 2S -0.43403 -0.26687 0.30627 0.37739 -0.22397 186 22 O 1S 0.00566 -0.00584 -0.00033 0.00149 -0.00383 187 2S 0.21161 -0.04154 -0.07133 0.07829 -0.06483 188 2PX 0.03109 0.03624 0.13200 -0.29821 -0.13319 189 2PY 0.01996 -0.04637 -0.02677 -0.02158 -0.13777 190 2PZ -0.07428 -0.00265 0.08859 0.14236 0.06973 191 3S -0.92884 0.29566 0.30826 -0.18641 0.44867 192 3PX 0.05445 -0.08777 -0.03668 0.28588 0.52964 193 3PY 0.01708 0.02388 0.02640 0.11163 0.18358 194 3PZ 0.00723 0.04074 -0.00455 -0.22892 0.29841 195 4XX 0.07899 -0.01194 -0.04510 0.02026 -0.05111 196 4YY 0.03539 -0.01613 0.00608 0.01915 -0.01383 197 4ZZ 0.09049 -0.03031 -0.02593 0.00352 -0.03215 198 4XY -0.01314 -0.01062 -0.02524 0.01008 -0.00759 199 4XZ -0.04547 0.00396 0.02973 -0.00845 0.01514 200 4YZ 0.02236 -0.01628 -0.03579 -0.00518 -0.02667 201 23 O 1S -0.00567 -0.00582 -0.00034 0.00149 0.00383 202 2S -0.21164 -0.04106 -0.07159 0.07834 0.06464 203 2PX -0.03118 0.03626 0.13192 -0.29819 0.13358 204 2PY 0.02006 0.04635 0.02694 0.02152 -0.13772 205 2PZ 0.07417 -0.00284 0.08863 0.14229 -0.06996 206 3S 0.92925 0.29347 0.30940 -0.18671 -0.44814 207 3PX -0.05462 -0.08788 -0.03647 0.28537 -0.53007 208 3PY 0.01697 -0.02400 -0.02656 -0.11163 0.18356 209 3PZ -0.00715 0.04052 -0.00440 -0.22939 -0.29805 210 4XX -0.07898 -0.01176 -0.04523 0.02030 0.05106 211 4YY -0.03543 -0.01604 0.00602 0.01917 0.01380 212 4ZZ -0.09056 -0.03012 -0.02603 0.00353 0.03210 213 4XY -0.01315 0.01063 0.02522 -0.01011 -0.00757 214 4XZ 0.04546 0.00385 0.02978 -0.00847 -0.01510 215 4YZ 0.02237 0.01622 0.03582 0.00514 -0.02666 116 117 118 119 120 V V V V V Eigenvalues -- 0.96806 0.99206 1.01520 1.04642 1.05792 1 1 C 1S 0.00000 -0.01385 0.01880 -0.00001 -0.00001 2 2S -0.00015 -0.41304 0.02938 -0.00017 -0.00013 3 2PX 0.00008 0.20099 -0.00977 0.00009 0.00001 4 2PY -0.15909 -0.00003 0.00005 0.06789 -0.01825 5 2PZ 0.00002 0.21981 0.05612 0.00001 0.00002 6 3S 0.00042 1.64357 -0.53835 0.00065 0.00069 7 3PX -0.00030 -0.15955 -0.07025 -0.00024 0.00009 8 3PY 0.42835 0.00023 -0.00022 -0.03858 0.04881 9 3PZ 0.00018 -0.41443 -0.00960 0.00020 0.00006 10 4XX -0.00005 -0.03295 -0.03505 -0.00004 -0.00001 11 4YY -0.00002 -0.03063 0.01369 -0.00001 0.00001 12 4ZZ 0.00005 0.00256 0.03358 0.00002 -0.00001 13 4XY -0.04315 0.00001 0.00001 -0.04495 0.02835 14 4XZ -0.00001 -0.02966 -0.03369 -0.00002 0.00001 15 4YZ 0.04461 -0.00001 0.00000 0.03137 -0.00883 16 2 H 1S -0.00007 0.04924 0.06239 -0.00006 -0.00002 17 2S -0.00011 -0.41697 0.02495 -0.00021 -0.00004 18 3 H 1S 0.00018 0.20373 0.26263 0.00011 -0.00006 19 2S -0.00024 -0.78317 -0.24140 -0.00013 -0.00005 20 4 C 1S -0.00335 -0.00521 -0.00377 -0.00091 -0.00307 21 2S 0.16300 -0.39084 0.43728 -0.26826 0.02618 22 2PX -0.11068 0.03834 0.16605 -0.07359 0.05822 23 2PY -0.05361 -0.07479 0.09082 -0.02160 -0.09702 24 2PZ 0.14079 -0.10783 0.02722 -0.07835 0.01339 25 3S -1.12902 1.27580 -0.82693 0.45274 0.35137 26 3PX 0.33345 0.09207 -0.27960 0.07492 -0.03813 27 3PY -0.06066 0.55848 -0.38125 0.30030 0.24129 28 3PZ -0.67425 0.74530 -0.48341 0.16514 0.10633 29 4XX 0.04616 -0.00593 0.01700 0.02742 -0.03759 30 4YY 0.01942 -0.03895 -0.00162 -0.03615 0.01850 31 4ZZ -0.06285 -0.00082 0.00611 -0.01743 0.01894 32 4XY 0.01244 -0.01206 -0.00667 0.02555 -0.01444 33 4XZ 0.01466 -0.00783 0.06500 -0.02031 -0.00192 34 4YZ -0.01784 -0.01015 -0.01248 -0.02410 0.02014 35 5 H 1S 0.14071 -0.11606 0.00666 -0.10123 0.01714 36 2S 0.08335 -0.41401 0.33745 -0.17786 -0.24524 37 6 C 1S -0.00239 0.01353 -0.00126 0.00032 -0.00088 38 2S -0.56630 0.37723 0.05171 0.13015 -0.05310 39 2PX 0.09202 -0.00689 0.05976 -0.04851 -0.02651 40 2PY 0.03856 0.10381 -0.02609 -0.03965 -0.00343 41 2PZ 0.07593 -0.08369 -0.00394 -0.04187 -0.01022 42 3S 1.82694 -1.43586 0.49136 -0.31942 0.02836 43 3PX -0.49184 0.03599 -0.09458 -0.00218 0.26763 44 3PY 0.05273 -0.64607 0.28545 -0.23339 0.06314 45 3PZ -0.44065 0.29387 -0.12917 -0.20247 0.47642 46 4XX -0.03029 -0.00916 -0.02966 0.01447 -0.00144 47 4YY -0.01117 0.03749 -0.00734 0.00423 -0.00078 48 4ZZ -0.01683 0.02845 0.03511 0.00072 -0.01060 49 4XY -0.00068 0.00298 0.01428 0.00937 -0.01136 50 4XZ -0.03171 0.00839 -0.02536 0.01383 0.00026 51 4YZ -0.00291 0.05612 -0.05593 0.02422 -0.01584 52 7 H 1S -0.08217 0.16241 -0.07630 0.19009 -0.15503 53 2S -0.08248 0.17642 0.01471 0.10531 -0.18326 54 8 C 1S 0.00335 -0.00522 -0.00376 0.00091 0.00308 55 2S -0.16271 -0.39114 0.43745 0.26809 -0.02630 56 2PX 0.11063 0.03840 0.16600 0.07358 -0.05831 57 2PY -0.05372 0.07484 -0.09093 -0.02158 -0.09695 58 2PZ -0.14074 -0.10785 0.02724 0.07830 -0.01338 59 3S 1.12789 1.27682 -0.82771 -0.45219 -0.35149 60 3PX -0.33327 0.09190 -0.27941 -0.07458 0.03838 61 3PY -0.06058 -0.55864 0.38197 0.30000 0.24061 62 3PZ 0.67393 0.74546 -0.48343 -0.16486 -0.10617 63 4XX -0.04614 -0.00593 0.01702 -0.02741 0.03759 64 4YY -0.01943 -0.03899 -0.00159 0.03611 -0.01852 65 4ZZ 0.06287 -0.00081 0.00609 0.01744 -0.01894 66 4XY 0.01237 0.01204 0.00671 0.02551 -0.01444 67 4XZ -0.01468 -0.00787 0.06502 0.02034 0.00191 68 4YZ -0.01783 0.01014 0.01252 -0.02408 0.02014 69 9 H 1S -0.14085 -0.11614 0.00689 0.10114 -0.01721 70 2S -0.08291 -0.41418 0.33784 0.17775 0.24496 71 10 C 1S 0.00238 0.01353 -0.00125 -0.00031 0.00088 72 2S 0.56596 0.37710 0.05187 -0.12988 0.05300 73 2PX -0.09212 -0.00690 0.05981 0.04851 0.02649 74 2PY 0.03865 -0.10384 0.02609 -0.03969 -0.00347 75 2PZ -0.07598 -0.08374 -0.00388 0.04179 0.01023 76 3S -1.82585 -1.43550 0.49039 0.31865 -0.02841 77 3PX 0.49192 0.03613 -0.09485 0.00222 -0.26770 78 3PY 0.05235 0.64650 -0.28609 -0.23314 0.06347 79 3PZ 0.44066 0.29425 -0.12954 0.20270 -0.47657 80 4XX 0.03029 -0.00914 -0.02966 -0.01448 0.00145 81 4YY 0.01115 0.03750 -0.00736 -0.00420 0.00077 82 4ZZ 0.01681 0.02841 0.03515 -0.00070 0.01060 83 4XY -0.00070 -0.00300 -0.01428 0.00931 -0.01137 84 4XZ 0.03175 0.00841 -0.02539 -0.01382 -0.00025 85 4YZ -0.00288 -0.05611 0.05590 0.02422 -0.01587 86 11 H 1S 0.08216 0.16243 -0.07625 -0.19003 0.15514 87 2S 0.08208 0.17633 0.01482 -0.10527 0.18332 88 12 C 1S -0.01341 -0.00657 0.00596 0.00075 -0.00889 89 2S 0.12311 0.11977 0.43031 0.15398 -0.08065 90 2PX 0.19090 -0.01398 0.02545 0.05629 0.13297 91 2PY -0.08217 -0.12137 -0.20306 -0.02136 0.10817 92 2PZ 0.08289 -0.27071 0.02639 0.13700 0.02990 93 3S 0.38998 -0.15444 -1.38416 0.29124 0.81480 94 3PX -1.57105 0.09448 -0.21038 -0.46604 0.07999 95 3PY 2.09975 0.13644 0.82555 1.09589 0.41088 96 3PZ -0.88175 0.63854 -0.05350 -0.77703 0.21497 97 4XX 0.03610 0.03202 -0.02301 -0.00367 -0.02924 98 4YY 0.03401 0.00598 0.02850 0.02388 0.00052 99 4ZZ -0.05941 -0.01703 0.03300 0.00586 0.02369 100 4XY -0.01266 0.02174 -0.02588 -0.02669 -0.00612 101 4XZ -0.00789 -0.01944 0.02176 0.03767 -0.00534 102 4YZ -0.02884 -0.07797 0.06908 0.00918 0.00041 103 13 C 1S -0.00913 -0.00747 -0.03201 0.00115 -0.00659 104 2S 0.00716 -0.15777 -0.69824 0.11544 -0.03634 105 2PX 0.08686 -0.13653 0.08752 0.17635 0.11064 106 2PY 0.21291 -0.05311 0.02786 0.14621 0.12749 107 2PZ 0.16799 -0.06142 -0.00909 -0.05153 -0.03306 108 3S 0.72312 0.48510 2.33021 -0.31118 0.15302 109 3PX -1.25777 0.84707 -0.19713 -1.22884 -0.19807 110 3PY -0.43880 0.01481 -0.51110 -0.55857 -0.78780 111 3PZ -1.59297 0.32461 -0.00972 -0.37732 0.12310 112 4XX 0.02165 0.04354 -0.01753 0.00465 0.02006 113 4YY -0.05204 -0.03120 -0.09719 -0.01878 -0.03381 114 4ZZ 0.03855 -0.03195 0.03207 0.02379 0.01343 115 4XY 0.00113 0.02035 -0.01304 -0.04046 0.07327 116 4XZ 0.05232 -0.00265 -0.01652 0.03573 0.02307 117 4YZ -0.03201 0.01019 -0.03212 -0.05981 0.03595 118 14 C 1S -0.00913 0.01300 0.00912 -0.01938 0.01192 119 2S 0.12026 0.17248 0.25866 -0.27623 0.51862 120 2PX -0.05652 0.05187 0.04786 -0.05165 -0.02652 121 2PY 0.19353 -0.06142 -0.14276 0.11348 0.07233 122 2PZ -0.01980 -0.02702 0.04755 0.00045 -0.12579 123 3S 0.28787 -0.95518 -1.09071 1.39325 -0.51739 124 3PX -0.24858 0.04241 -0.07578 -0.10034 0.00606 125 3PY -1.09159 0.43100 0.72172 -0.48351 0.37636 126 3PZ -0.34725 0.29203 -0.10352 -0.68597 0.14922 127 4XX 0.00347 -0.03927 0.02805 0.01535 0.02022 128 4YY -0.01339 0.02058 0.01420 -0.01745 0.02439 129 4ZZ 0.03189 0.05560 -0.00326 -0.03905 0.04915 130 4XY 0.02546 -0.05187 -0.00780 0.01180 -0.00208 131 4XZ 0.01944 0.01524 0.00241 -0.00767 0.06717 132 4YZ 0.02436 -0.01087 -0.04193 0.02080 0.01357 133 15 C 1S 0.00913 0.01299 0.00911 0.01938 -0.01192 134 2S -0.12007 0.17240 0.25853 0.27617 -0.51881 135 2PX 0.05649 0.05182 0.04791 0.05167 0.02652 136 2PY 0.19356 0.06141 0.14279 0.11346 0.07230 137 2PZ 0.01984 -0.02713 0.04769 -0.00045 0.12578 138 3S -0.28834 -0.95440 -1.09110 -1.39295 0.51823 139 3PX 0.24874 0.04266 -0.07606 0.10036 -0.00623 140 3PY -1.09169 -0.43190 -0.72050 -0.48325 0.37670 141 3PZ 0.34723 0.29249 -0.10415 0.68600 -0.14931 142 4XX -0.00347 -0.03929 0.02805 -0.01536 -0.02025 143 4YY 0.01341 0.02060 0.01419 0.01745 -0.02441 144 4ZZ -0.03191 0.05560 -0.00329 0.03906 -0.04913 145 4XY 0.02544 0.05186 0.00780 0.01178 -0.00207 146 4XZ -0.01946 0.01524 0.00237 0.00765 -0.06717 147 4YZ 0.02437 0.01087 0.04193 0.02081 0.01353 148 16 C 1S 0.00913 -0.00746 -0.03201 -0.00115 0.00660 149 2S -0.00722 -0.15766 -0.69838 -0.11540 0.03669 150 2PX -0.08693 -0.13655 0.08753 -0.17638 -0.11068 151 2PY 0.21295 0.05304 -0.02775 0.14626 0.12749 152 2PZ -0.16796 -0.06150 -0.00897 0.05154 0.03315 153 3S -0.72243 0.48402 2.33129 0.31115 -0.15423 154 3PX 1.25767 0.84798 -0.19830 1.22868 0.19806 155 3PY -0.43876 -0.01415 0.51033 -0.55860 -0.78791 156 3PZ 1.59303 0.32551 -0.01098 0.37712 -0.12353 157 4XX -0.02168 0.04357 -0.01756 -0.00466 -0.02005 158 4YY 0.05205 -0.03123 -0.09716 0.01880 0.03386 159 4ZZ -0.03852 -0.03196 0.03207 -0.02379 -0.01345 160 4XY 0.00114 -0.02036 0.01309 -0.04045 0.07325 161 4XZ -0.05230 -0.00265 -0.01653 -0.03573 -0.02306 162 4YZ -0.03199 -0.01020 0.03215 -0.05980 0.03591 163 17 C 1S 0.01342 -0.00658 0.00596 -0.00074 0.00889 164 2S -0.12279 0.11971 0.43053 -0.15386 0.08048 165 2PX -0.19081 -0.01401 0.02542 -0.05630 -0.13296 166 2PY -0.08212 0.12118 0.20325 -0.02133 0.10809 167 2PZ -0.08285 -0.27071 0.02640 -0.13708 -0.02995 168 3S -0.39064 -0.15374 -1.38537 -0.29179 -0.81447 169 3PX 1.57070 0.09541 -0.21130 0.46596 -0.07996 170 3PY 2.09966 -0.13537 -0.82681 1.09573 0.41110 171 3PZ 0.88149 0.63952 -0.05459 0.77703 -0.21495 172 4XX -0.03606 0.03198 -0.02296 0.00372 0.02924 173 4YY -0.03399 0.00598 0.02851 -0.02390 -0.00053 174 4ZZ 0.05940 -0.01699 0.03297 -0.00586 -0.02369 175 4XY -0.01264 -0.02173 0.02586 -0.02667 -0.00610 176 4XZ 0.00791 -0.01942 0.02174 -0.03768 0.00532 177 4YZ -0.02885 0.07794 -0.06907 0.00919 0.00044 178 18 H 1S -0.26879 -0.22715 0.09936 0.02965 0.15321 179 2S 0.14478 0.84381 0.28312 -0.25879 -0.04692 180 19 H 1S -0.02799 0.03983 0.10944 -0.04255 0.16258 181 2S -0.10499 0.04854 0.42054 -0.07327 0.05152 182 20 H 1S 0.02799 0.03986 0.10937 0.04246 -0.16260 183 2S 0.10517 0.04838 0.42068 0.07323 -0.05167 184 21 H 1S 0.26875 -0.22686 0.09908 -0.02973 -0.15328 185 2S -0.14454 0.84370 0.28328 0.25912 0.04687 186 22 O 1S -0.00155 0.00218 0.01597 0.00033 -0.00670 187 2S -0.03672 0.03836 0.16616 0.07336 0.03751 188 2PX -0.25113 0.16935 0.13342 -0.00818 0.42992 189 2PY -0.17489 0.03403 0.23346 -0.13484 -0.26901 190 2PZ 0.14126 -0.37023 0.09305 -0.50563 0.01612 191 3S 0.31741 -0.18697 -1.02891 -0.01251 0.34215 192 3PX 0.15566 -0.35072 -0.11655 -0.14983 -0.65205 193 3PY 0.29025 -0.01281 -0.18680 0.25255 0.35161 194 3PZ -0.35652 0.39952 -0.15053 0.65983 -0.02120 195 4XX -0.03150 0.02780 0.08389 0.01644 -0.03445 196 4YY -0.00292 0.02207 0.03711 0.03212 0.02744 197 4ZZ -0.04177 0.00349 0.10969 -0.00648 -0.01655 198 4XY 0.02371 -0.00362 -0.03143 0.02561 -0.03561 199 4XZ 0.00688 -0.01349 -0.06437 -0.00297 0.02404 200 4YZ 0.01231 0.01370 0.00395 0.04533 -0.02758 201 23 O 1S 0.00156 0.00217 0.01597 -0.00033 0.00669 202 2S 0.03681 0.03838 0.16610 -0.07331 -0.03757 203 2PX 0.25099 0.16939 0.13330 0.00816 -0.42995 204 2PY -0.17484 -0.03389 -0.23359 -0.13479 -0.26896 205 2PZ -0.14116 -0.37036 0.09308 0.50559 -0.01636 206 3S -0.31767 -0.18689 -1.02901 0.01250 -0.34174 207 3PX -0.15550 -0.35066 -0.11651 0.14988 0.65211 208 3PY 0.29013 0.01258 0.18701 0.25247 0.35161 209 3PZ 0.35637 0.39978 -0.15071 -0.65977 0.02160 210 4XX 0.03151 0.02779 0.08389 -0.01645 0.03443 211 4YY 0.00294 0.02206 0.03710 -0.03209 -0.02745 212 4ZZ 0.04180 0.00349 0.10969 0.00649 0.01650 213 4XY 0.02371 0.00363 0.03142 0.02561 -0.03563 214 4XZ -0.00690 -0.01349 -0.06436 0.00297 -0.02400 215 4YZ 0.01232 -0.01369 -0.00398 0.04534 -0.02759 121 122 123 124 125 V V V V V Eigenvalues -- 1.06962 1.09271 1.12491 1.14722 1.18132 1 1 C 1S -0.00423 0.00001 -0.01097 0.01439 0.00002 2 2S -0.03180 0.00015 -0.06652 0.48964 0.00025 3 2PX -0.03038 -0.00003 0.02507 -0.06872 0.00003 4 2PY 0.00003 0.01557 -0.00001 -0.00005 0.00903 5 2PZ -0.09498 -0.00003 -0.02389 0.00764 -0.00012 6 3S -0.20255 -0.00084 0.13369 -1.51255 -0.00186 7 3PX -0.19763 -0.00006 -0.04167 0.10429 -0.00070 8 3PY -0.00018 0.12263 0.00001 0.00006 0.34731 9 3PZ 0.24461 -0.00037 0.20080 -0.72613 0.00025 10 4XX -0.00412 0.00005 -0.02033 0.13083 0.00000 11 4YY -0.05969 -0.00005 0.00159 -0.08557 -0.00003 12 4ZZ 0.05210 0.00001 -0.00728 0.02070 0.00004 13 4XY 0.00000 -0.02228 0.00001 0.00003 -0.07233 14 4XZ 0.08278 0.00003 -0.03091 0.08223 -0.00006 15 4YZ 0.00000 -0.00079 -0.00001 -0.00002 0.01840 16 2 H 1S -0.09713 0.00006 -0.03800 0.10036 -0.00005 17 2S 0.01274 0.00005 -0.06562 0.27468 -0.00010 18 3 H 1S -0.01859 -0.00005 0.03955 -0.17209 0.00023 19 2S 0.07604 -0.00001 0.13046 0.10536 0.00028 20 4 C 1S 0.00046 0.01709 -0.00719 0.00032 -0.00183 21 2S 0.18463 0.29718 -0.35482 0.04199 -0.33548 22 2PX -0.00030 0.01067 -0.04045 0.01825 -0.11561 23 2PY 0.08996 0.17692 -0.04695 0.10586 0.18376 24 2PZ 0.07290 0.00069 0.00880 -0.07889 -0.13652 25 3S -1.07449 -2.08167 0.99582 0.33969 -0.57195 26 3PX -0.04043 -0.14157 0.15279 -0.25293 0.40291 27 3PY -0.28941 -0.47021 0.12810 -0.62280 -0.55736 28 3PZ -0.68216 -0.55264 0.23263 0.38947 0.26667 29 4XX -0.04195 0.03200 0.00495 -0.06964 0.04962 30 4YY 0.08125 0.05275 -0.03161 0.06281 -0.00557 31 4ZZ -0.02688 -0.06453 -0.00967 0.04073 -0.06948 32 4XY 0.00660 -0.04126 -0.02265 0.00176 0.02506 33 4XZ -0.04353 0.01264 0.00275 -0.12820 -0.09139 34 4YZ -0.01270 -0.02650 0.00033 0.00928 -0.05271 35 5 H 1S 0.09663 0.26189 -0.00277 0.00695 0.18520 36 2S 0.12072 0.33532 -0.24380 0.30824 0.33176 37 6 C 1S -0.02358 -0.00200 0.01138 -0.00411 0.00028 38 2S -0.72201 -0.13027 0.19534 0.06630 0.16018 39 2PX -0.16923 0.11081 -0.03036 0.07188 0.14229 40 2PY -0.10527 -0.02536 0.00224 0.05833 -0.02724 41 2PZ 0.09329 0.13359 -0.04892 0.06278 0.10211 42 3S 1.95404 0.67515 -0.66696 -0.50492 -0.60844 43 3PX 0.21342 -0.73727 0.08739 -0.01578 -0.87974 44 3PY 0.69124 0.37762 -0.11697 -0.13823 -0.29078 45 3PZ -0.30930 -1.64152 0.34437 0.00846 -1.57858 46 4XX 0.05690 -0.01875 -0.01810 0.05442 0.02590 47 4YY -0.06564 -0.01221 0.02927 -0.00481 0.00542 48 4ZZ -0.06269 0.02621 0.01898 -0.04974 -0.00609 49 4XY -0.02348 0.00302 0.01164 -0.08510 0.02797 50 4XZ 0.02722 -0.01732 -0.01226 0.07157 0.03723 51 4YZ -0.01294 0.04405 0.01601 0.04113 0.09011 52 7 H 1S -0.16794 0.23635 0.01931 -0.02349 0.53208 53 2S -0.40259 0.40889 -0.05748 0.17005 0.64211 54 8 C 1S 0.00046 -0.01710 -0.00720 0.00032 0.00181 55 2S 0.18477 -0.29730 -0.35486 0.04209 0.33502 56 2PX -0.00029 -0.01060 -0.04045 0.01828 0.11562 57 2PY -0.08997 0.17687 0.04691 -0.10589 0.18374 58 2PZ 0.07286 -0.00075 0.00878 -0.07893 0.13661 59 3S -1.07450 2.08251 0.99558 0.33883 0.57413 60 3PX -0.04024 0.14121 0.15276 -0.25304 -0.40312 61 3PY 0.28952 -0.46933 -0.12803 0.62253 -0.55571 62 3PZ -0.68202 0.55295 0.23257 0.38930 -0.26716 63 4XX -0.04196 -0.03205 0.00496 -0.06961 -0.04962 64 4YY 0.08125 -0.05270 -0.03161 0.06281 0.00555 65 4ZZ -0.02687 0.06454 -0.00969 0.04070 0.06945 66 4XY -0.00659 -0.04125 0.02264 -0.00183 0.02507 67 4XZ -0.04351 -0.01274 0.00274 -0.12823 0.09142 68 4YZ 0.01270 -0.02651 -0.00032 -0.00927 -0.05267 69 9 H 1S 0.09660 -0.26176 -0.00277 0.00693 -0.18495 70 2S 0.12084 -0.33508 -0.24373 0.30825 -0.33157 71 10 C 1S -0.02358 0.00200 0.01138 -0.00411 -0.00026 72 2S -0.72190 0.13036 0.19528 0.06624 -0.15965 73 2PX -0.16925 -0.11076 -0.03033 0.07198 -0.14232 74 2PY 0.10525 -0.02535 -0.00224 -0.05835 -0.02703 75 2PZ 0.09329 -0.13354 -0.04890 0.06282 -0.10223 76 3S 1.95352 -0.67553 -0.66664 -0.50405 0.60801 77 3PX 0.21358 0.73731 0.08719 -0.01631 0.88010 78 3PY -0.69134 0.37739 0.11709 0.13870 -0.29194 79 3PZ -0.30910 1.64179 0.34400 0.00757 1.57961 80 4XX 0.05688 0.01878 -0.01809 0.05438 -0.02599 81 4YY -0.06564 0.01222 0.02927 -0.00478 -0.00530 82 4ZZ -0.06267 -0.02624 0.01898 -0.04974 0.00610 83 4XY 0.02351 0.00308 -0.01165 0.08509 0.02806 84 4XZ 0.02721 0.01737 -0.01226 0.07162 -0.03729 85 4YZ 0.01295 0.04405 -0.01602 -0.04114 0.09015 86 11 H 1S -0.16799 -0.23649 0.01940 -0.02330 -0.53244 87 2S -0.40264 -0.40889 -0.05736 0.17038 -0.64258 88 12 C 1S 0.00937 -0.00024 0.00148 -0.02203 -0.00746 89 2S 0.32732 0.02836 -0.13968 -0.15102 0.37005 90 2PX 0.03311 -0.13409 -0.06619 0.05786 -0.05613 91 2PY 0.05656 0.06042 -0.01792 0.15380 0.07281 92 2PZ 0.16300 0.10167 -0.12749 0.15980 0.03716 93 3S 0.06969 -0.29941 0.95842 2.53492 -0.30749 94 3PX -0.01858 0.36566 0.35553 0.29557 0.48960 95 3PY -0.30911 -1.08885 -0.35377 -1.50644 -0.34018 96 3PZ -0.16255 -0.81491 0.31783 -0.17509 0.72367 97 4XX 0.02734 0.06914 0.04151 -0.01991 -0.01844 98 4YY 0.04147 -0.01540 -0.04860 0.03784 0.01882 99 4ZZ -0.03891 -0.05730 0.01503 -0.03298 0.02452 100 4XY -0.04989 -0.01400 0.01761 0.07540 0.00006 101 4XZ 0.01072 -0.00211 0.00441 0.00304 0.05310 102 4YZ -0.01287 -0.03689 -0.04155 -0.15609 0.01754 103 13 C 1S 0.01108 0.01113 -0.00094 -0.00848 0.00193 104 2S 0.16386 0.44227 -0.02901 -0.15593 0.03753 105 2PX -0.18544 -0.06774 -0.20164 -0.09160 -0.08021 106 2PY 0.04137 0.14462 -0.04762 0.02409 -0.07330 107 2PZ 0.09400 -0.05937 -0.21294 -0.27775 0.02355 108 3S 0.13164 0.03695 0.20273 0.07106 -1.16162 109 3PX 0.80827 0.38509 1.29947 1.79724 0.37619 110 3PY -0.06356 0.37509 0.42010 0.01702 -0.73553 111 3PZ 0.12849 0.99606 1.35276 2.41205 -0.10266 112 4XX 0.01054 -0.03371 0.00873 0.08212 0.02291 113 4YY 0.00823 0.05702 0.01496 -0.01680 -0.01228 114 4ZZ 0.00013 0.03637 -0.02381 -0.07748 -0.03293 115 4XY -0.02490 0.02663 -0.05539 0.01457 0.00387 116 4XZ 0.03542 0.07524 -0.01476 -0.01090 -0.00007 117 4YZ -0.01876 -0.01062 -0.06793 -0.02151 0.01601 118 14 C 1S 0.00308 -0.00548 0.00779 0.01723 0.00707 119 2S 0.14699 -0.25100 0.23600 0.07602 0.26148 120 2PX -0.06335 -0.09172 -0.04898 0.11764 0.01868 121 2PY -0.00607 -0.08233 0.11806 -0.14551 0.04051 122 2PZ 0.06748 -0.04444 -0.05863 0.12413 0.10001 123 3S -0.66920 0.94419 -1.24463 -2.44265 -0.04425 124 3PX -0.03620 1.22477 0.42428 0.04952 -1.06232 125 3PY 0.33351 0.94764 0.05075 1.53022 0.41461 126 3PZ -0.02646 1.09439 0.54620 0.07354 -1.18372 127 4XX -0.05751 -0.01191 -0.03308 -0.00550 0.00266 128 4YY 0.00746 0.01173 0.05356 -0.01860 0.01303 129 4ZZ 0.03249 -0.03376 -0.01137 0.03907 0.02638 130 4XY -0.00550 0.03192 -0.00975 -0.10629 -0.03986 131 4XZ -0.01052 -0.01924 -0.03399 0.03363 0.06491 132 4YZ 0.01120 0.03668 -0.03522 -0.03673 -0.02102 133 15 C 1S 0.00309 0.00549 0.00778 0.01722 -0.00708 134 2S 0.14716 0.25124 0.23576 0.07550 -0.26166 135 2PX -0.06335 0.09173 -0.04897 0.11755 -0.01861 136 2PY 0.00602 -0.08227 -0.11805 0.14564 0.04057 137 2PZ 0.06750 0.04447 -0.05862 0.12407 -0.09995 138 3S -0.66965 -0.94558 -1.24384 -2.44031 0.04489 139 3PX -0.03639 -1.22464 0.42433 0.05034 1.06182 140 3PY -0.33305 0.94689 -0.05080 -1.53073 0.41469 141 3PZ -0.02670 -1.09422 0.54623 0.07431 1.18328 142 4XX -0.05751 0.01193 -0.03309 -0.00556 -0.00267 143 4YY 0.00747 -0.01170 0.05355 -0.01857 -0.01310 144 4ZZ 0.03251 0.03373 -0.01139 0.03904 -0.02631 145 4XY 0.00549 0.03192 0.00973 0.10626 -0.03982 146 4XZ -0.01051 0.01927 -0.03401 0.03360 -0.06495 147 4YZ -0.01120 0.03674 0.03521 0.03668 -0.02107 148 16 C 1S 0.01107 -0.01114 -0.00094 -0.00846 -0.00193 149 2S 0.16378 -0.44264 -0.02881 -0.15554 -0.03737 150 2PX -0.18542 0.06775 -0.20168 -0.09156 0.08025 151 2PY -0.04138 0.14464 0.04759 -0.02418 -0.07333 152 2PZ 0.09407 0.05921 -0.21293 -0.27762 -0.02349 153 3S 0.13207 -0.03598 0.20174 0.07000 1.16156 154 3PX 0.80786 -0.38463 1.29976 1.79723 -0.37647 155 3PY 0.06368 0.37488 -0.41986 -0.01682 -0.73494 156 3PZ 0.12788 -0.99504 1.35296 2.41188 0.10199 157 4XX 0.01052 0.03368 0.00872 0.08214 -0.02282 158 4YY 0.00823 -0.05703 0.01498 -0.01678 0.01230 159 4ZZ 0.00013 -0.03634 -0.02381 -0.07749 0.03287 160 4XY 0.02488 0.02662 0.05541 -0.01458 0.00387 161 4XZ 0.03542 -0.07525 -0.01476 -0.01086 0.00004 162 4YZ 0.01876 -0.01060 0.06792 0.02146 0.01600 163 17 C 1S 0.00936 0.00023 0.00147 -0.02203 0.00747 164 2S 0.32726 -0.02840 -0.13979 -0.15117 -0.37006 165 2PX 0.03322 0.13405 -0.06628 0.05783 0.05631 166 2PY -0.05657 0.06041 0.01790 -0.15388 0.07284 167 2PZ 0.16300 -0.10163 -0.12749 0.15974 -0.03716 168 3S 0.06985 0.29983 0.95897 2.53485 0.30707 169 3PX -0.01931 -0.36548 0.35585 0.29558 -0.48985 170 3PY 0.30850 -1.08854 0.35415 1.50722 -0.34063 171 3PZ -0.16277 0.81484 0.31815 -0.17462 -0.72371 172 4XX 0.02735 -0.06907 0.04150 -0.01994 0.01837 173 4YY 0.04147 0.01541 -0.04860 0.03785 -0.01884 174 4ZZ -0.03894 0.05722 0.01503 -0.03299 -0.02443 175 4XY 0.04988 -0.01408 -0.01760 -0.07540 0.00008 176 4XZ 0.01071 0.00212 0.00441 0.00302 -0.05316 177 4YZ 0.01287 -0.03688 0.04156 0.15609 0.01754 178 18 H 1S -0.01256 -0.31831 0.01678 -0.29373 0.13769 179 2S -0.08669 -0.23172 0.08061 -0.43793 0.25253 180 19 H 1S 0.11564 -0.31792 -0.12798 0.29795 0.40538 181 2S 0.17486 -0.43823 -0.09966 0.39332 0.58693 182 20 H 1S 0.11570 0.31800 -0.12807 0.29762 -0.40534 183 2S 0.17494 0.43836 -0.09974 0.39281 -0.58667 184 21 H 1S -0.01259 0.31821 0.01679 -0.29372 -0.13761 185 2S -0.08675 0.23169 0.08060 -0.43799 -0.25258 186 22 O 1S 0.00298 0.01059 -0.00205 -0.00400 -0.00849 187 2S 0.12390 0.03103 0.03773 -0.12002 0.00897 188 2PX 0.31946 0.26723 0.31500 -0.08453 -0.03531 189 2PY -0.15364 0.08265 -0.07648 0.07064 -0.11237 190 2PZ -0.17818 0.01563 0.39463 0.08986 0.12299 191 3S -0.32076 -0.37508 0.08071 0.22543 0.26160 192 3PX -0.55601 -0.33808 -0.69650 -0.16647 0.08417 193 3PY 0.26715 -0.03107 0.12295 -0.16573 0.08216 194 3PZ 0.18956 0.10838 -0.79919 -0.51425 -0.18632 195 4XX 0.01951 0.03271 -0.01182 -0.00397 -0.02427 196 4YY 0.03327 0.02690 0.01828 -0.04999 -0.01326 197 4ZZ 0.03056 0.02816 0.00388 -0.03261 0.00434 198 4XY -0.02302 -0.04495 -0.04977 -0.00671 0.00020 199 4XZ 0.00121 -0.02731 -0.00221 -0.00912 0.00727 200 4YZ -0.00478 0.00986 -0.06203 -0.01540 -0.02012 201 23 O 1S 0.00297 -0.01059 -0.00204 -0.00399 0.00851 202 2S 0.12390 -0.03108 0.03773 -0.12003 -0.00882 203 2PX 0.31940 -0.26731 0.31491 -0.08440 0.03536 204 2PY 0.15370 0.08254 0.07645 -0.07076 -0.11236 205 2PZ -0.17807 -0.01547 0.39459 0.09007 -0.12304 206 3S -0.32063 0.37509 0.08058 0.22520 -0.26226 207 3PX -0.55599 0.33812 -0.69634 -0.16671 -0.08415 208 3PY -0.26722 -0.03091 -0.12297 0.16580 0.08199 209 3PZ 0.18934 -0.10877 -0.79912 -0.51464 0.18648 210 4XX 0.01949 -0.03270 -0.01181 -0.00395 0.02433 211 4YY 0.03327 -0.02694 0.01827 -0.05001 0.01331 212 4ZZ 0.03056 -0.02815 0.00389 -0.03257 -0.00431 213 4XY 0.02302 -0.04496 0.04976 0.00675 0.00021 214 4XZ 0.00122 0.02729 -0.00224 -0.00917 -0.00729 215 4YZ 0.00479 0.00987 0.06203 0.01543 -0.02013 126 127 128 129 130 V V V V V Eigenvalues -- 1.20915 1.22391 1.23322 1.27425 1.28321 1 1 C 1S -0.04748 -0.03932 0.00002 -0.06754 0.00016 2 2S -0.62798 -0.57775 0.00015 -0.91685 0.00222 3 2PX -0.01333 -0.06395 0.00004 -0.07299 0.00025 4 2PY 0.00005 -0.00007 -0.10201 -0.00045 -0.17875 5 2PZ 0.06244 0.25447 -0.00005 -0.19929 0.00042 6 3S 2.59884 3.80551 -0.00103 1.86214 -0.00484 7 3PX 0.54177 1.55203 -0.00042 -0.16251 -0.00001 8 3PY -0.00004 0.00062 0.26213 0.00157 0.73547 9 3PZ -0.53553 -0.08463 -0.00026 0.81294 -0.00188 10 4XX 0.00449 -0.01668 0.00001 -0.09113 0.00022 11 4YY -0.05090 0.10449 -0.00002 -0.05754 0.00012 12 4ZZ -0.05255 -0.12774 0.00003 -0.01678 0.00005 13 4XY 0.00001 -0.00001 0.04155 -0.00010 -0.05112 14 4XZ 0.08226 0.02127 0.00002 -0.01704 0.00001 15 4YZ -0.00002 0.00000 -0.04260 -0.00002 0.00514 16 2 H 1S 0.00075 0.10492 0.00003 -0.32268 0.00072 17 2S -0.12756 0.24013 -0.00009 -0.34853 0.00069 18 3 H 1S -0.36365 -0.36093 0.00007 -0.09431 0.00026 19 2S -0.55342 -0.32644 -0.00012 0.19175 -0.00040 20 4 C 1S 0.00334 0.01823 0.02027 -0.01386 -0.00045 21 2S 0.11070 0.45343 0.37974 -0.47451 -0.08761 22 2PX 0.02705 0.05002 0.04321 -0.08480 -0.02440 23 2PY 0.05785 -0.13200 0.13839 0.10263 0.16254 24 2PZ -0.11808 -0.01401 0.03693 0.06997 -0.03375 25 3S -0.58007 -2.34035 -1.30511 0.76294 0.27409 26 3PX 0.16036 0.10495 -0.19720 0.59112 0.35821 27 3PY 0.39882 2.00274 -1.06889 -0.24806 -1.69113 28 3PZ 0.79308 0.15313 0.02724 0.16427 1.08655 29 4XX -0.04007 -0.02926 -0.02009 -0.03231 -0.02926 30 4YY 0.02496 -0.02416 0.09048 -0.00818 0.06748 31 4ZZ 0.02397 0.05613 -0.02094 -0.00993 -0.01594 32 4XY 0.05854 0.04013 -0.06930 -0.00239 -0.00854 33 4XZ -0.06428 0.03073 0.00177 -0.01911 -0.13497 34 4YZ -0.01186 0.04243 0.01975 -0.03240 -0.00854 35 5 H 1S -0.07104 -0.19187 0.37129 0.04631 0.46237 36 2S 0.09390 -0.45663 0.52864 -0.02361 0.71508 37 6 C 1S -0.00002 -0.01640 -0.00950 0.01663 -0.00490 38 2S -0.05093 -0.49749 -0.32115 0.28793 -0.20593 39 2PX 0.06825 0.02232 -0.03362 0.00071 -0.04518 40 2PY 0.12868 0.13823 -0.01026 -0.04487 0.06399 41 2PZ 0.05671 0.04246 0.06537 -0.01744 0.03904 42 3S -0.58309 0.82605 0.29003 -0.62336 -1.13964 43 3PX -0.06826 -0.29589 0.23869 0.14147 0.50416 44 3PY -0.60270 -0.89001 0.86992 0.32426 0.52553 45 3PZ -0.16729 -1.05637 0.00428 0.65126 0.89540 46 4XX 0.08224 0.05720 0.00947 -0.05544 0.08240 47 4YY -0.03750 -0.09298 -0.01638 0.08863 -0.01446 48 4ZZ -0.02913 -0.00855 -0.03178 -0.00456 -0.09640 49 4XY 0.09877 0.06464 -0.01299 0.04549 0.00387 50 4XZ 0.10580 0.05019 -0.03423 0.05081 0.02008 51 4YZ 0.02060 -0.01078 -0.01065 0.01137 -0.00582 52 7 H 1S 0.10096 0.33552 -0.20978 -0.19579 -0.20398 53 2S 0.24599 0.37283 -0.26580 -0.22665 -0.31876 54 8 C 1S 0.00335 0.01821 -0.02028 -0.01387 0.00052 55 2S 0.11139 0.45322 -0.37982 -0.47423 0.08987 56 2PX 0.02723 0.05004 -0.04314 -0.08467 0.02489 57 2PY -0.05781 0.13229 0.13839 -0.10184 0.16310 58 2PZ -0.11806 -0.01387 -0.03698 0.06998 0.03338 59 3S -0.58146 -2.33817 1.30627 0.76165 -0.27694 60 3PX 0.16010 0.10491 0.19692 0.58974 -0.36102 61 3PY -0.39852 -2.00407 -1.06765 0.23930 -1.69157 62 3PZ 0.79277 0.15236 -0.02725 0.15913 -1.08719 63 4XX -0.04007 -0.02925 0.02011 -0.03219 0.02937 64 4YY 0.02503 -0.02427 -0.09046 -0.00852 -0.06747 65 4ZZ 0.02396 0.05618 0.02092 -0.00986 0.01605 66 4XY -0.05855 -0.04016 -0.06929 0.00228 -0.00862 67 4XZ -0.06422 0.03085 -0.00181 -0.01851 0.13500 68 4YZ 0.01187 -0.04246 0.01978 0.03238 -0.00863 69 9 H 1S -0.07087 -0.19241 -0.37111 0.04387 -0.46236 70 2S 0.09412 -0.45741 -0.52831 -0.02722 -0.71478 71 10 C 1S -0.00002 -0.01639 0.00951 0.01666 0.00484 72 2S -0.05118 -0.49730 0.32134 0.28921 0.20498 73 2PX 0.06822 0.02220 0.03361 0.00104 0.04520 74 2PY -0.12867 -0.13821 -0.01014 0.04518 0.06390 75 2PZ 0.05672 0.04230 -0.06540 -0.01762 -0.03906 76 3S -0.58258 0.82584 -0.29031 -0.61800 1.14184 77 3PX -0.06803 -0.29530 -0.23861 0.13841 -0.50475 78 3PY 0.60175 0.89003 0.86931 -0.32096 0.52665 79 3PZ -0.16682 -1.05488 -0.00363 0.64611 -0.89780 80 4XX 0.08224 0.05718 -0.00948 -0.05583 -0.08216 81 4YY -0.03754 -0.09299 0.01640 0.08871 0.01411 82 4ZZ -0.02912 -0.00850 0.03179 -0.00407 0.09639 83 4XY -0.09875 -0.06459 -0.01293 -0.04553 0.00423 84 4XZ 0.10575 0.05015 0.03423 0.05078 -0.02024 85 4YZ -0.02055 0.01085 -0.01064 -0.01142 -0.00575 86 11 H 1S 0.10060 0.33526 0.20960 -0.19446 0.20481 87 2S 0.24557 0.37236 0.26552 -0.22460 0.31963 88 12 C 1S 0.00705 -0.02541 -0.00014 0.01521 -0.00369 89 2S 0.34199 -0.23018 -0.10857 0.11161 0.06849 90 2PX -0.09571 -0.22211 -0.12532 0.05889 -0.13143 91 2PY 0.10285 -0.14226 -0.11144 -0.06110 -0.06733 92 2PZ -0.03061 -0.01208 0.01534 0.04721 -0.09601 93 3S -0.49664 1.51477 1.33227 0.81345 0.61101 94 3PX -0.13600 0.84448 1.32516 0.71491 0.35686 95 3PY -0.47026 -0.08779 -0.90878 -0.04246 2.62944 96 3PZ -0.20534 0.63612 0.39571 0.33156 0.92723 97 4XX 0.15346 -0.04283 0.02275 0.14510 -0.15240 98 4YY 0.05363 -0.03014 -0.01047 -0.02253 0.01269 99 4ZZ -0.17301 0.03846 0.00087 -0.05175 0.14189 100 4XY -0.04054 -0.07858 0.01116 -0.14501 0.03724 101 4XZ 0.00877 0.05931 0.00754 -0.03822 0.03313 102 4YZ 0.09034 0.02763 -0.02690 0.10438 0.02576 103 13 C 1S -0.01513 0.01478 -0.00452 0.02120 0.00488 104 2S -0.43517 0.43186 -0.09644 0.61771 0.07290 105 2PX 0.00138 -0.09909 -0.22894 -0.07978 0.23071 106 2PY -0.11284 0.07021 -0.09389 0.11049 -0.03248 107 2PZ -0.07279 -0.05512 -0.30210 -0.07034 0.19891 108 3S 1.45371 -2.00726 0.35039 -1.65748 -0.83697 109 3PX 0.21139 0.74946 2.06979 0.67897 -1.72533 110 3PY 1.09781 -0.80346 -0.01553 -1.63441 -0.71191 111 3PZ 0.55738 0.67021 2.42815 0.64600 -2.00167 112 4XX -0.22252 0.05077 -0.01560 -0.07107 0.08972 113 4YY 0.00316 -0.01564 0.03241 0.04774 -0.02104 114 4ZZ 0.17691 -0.02477 -0.02087 0.07271 -0.08190 115 4XY -0.01165 -0.00775 -0.00370 0.03547 -0.03667 116 4XZ -0.02565 0.08078 -0.03596 0.01886 -0.04831 117 4YZ -0.03124 0.00356 -0.08013 -0.10393 0.06424 118 14 C 1S 0.01311 0.00008 0.02433 -0.00955 -0.02155 119 2S 0.21554 -0.03854 0.59547 -0.28736 -0.38738 120 2PX -0.01145 -0.05965 0.04115 0.10083 -0.01715 121 2PY 0.07237 -0.06831 0.07724 -0.19811 -0.03084 122 2PZ 0.02713 -0.07292 -0.00069 0.08557 -0.10157 123 3S -1.06297 0.00184 -3.05283 0.00289 2.01470 124 3PX 0.42697 -0.03207 0.23871 -0.61675 -0.34626 125 3PY 0.00183 0.32628 0.83414 0.95408 -1.39820 126 3PZ 0.44766 -0.06632 0.47648 -0.65740 -0.30002 127 4XX 0.07347 0.00535 0.01082 0.04058 -0.01730 128 4YY 0.04097 0.02085 -0.00229 -0.07147 -0.00648 129 4ZZ -0.11053 -0.02904 0.03801 0.03955 0.00897 130 4XY 0.14087 -0.09774 -0.03429 -0.02903 0.01823 131 4XZ 0.02807 0.06012 0.00800 -0.01517 -0.04415 132 4YZ -0.14909 0.08817 -0.06124 -0.03083 0.03241 133 15 C 1S 0.01312 0.00007 -0.02432 -0.00946 0.02161 134 2S 0.21567 -0.03900 -0.59516 -0.28554 0.38881 135 2PX -0.01147 -0.05963 -0.04129 0.10081 0.01673 136 2PY -0.07244 0.06842 0.07699 0.19794 -0.03178 137 2PZ 0.02707 -0.07290 0.00061 0.08604 0.10119 138 3S -1.06406 0.00284 3.05371 -0.00549 -2.01560 139 3PX 0.42769 -0.03154 -0.23821 -0.61523 0.34949 140 3PY -0.00155 -0.32571 0.83573 -0.96037 -1.39392 141 3PZ 0.44844 -0.06604 -0.47587 -0.65638 0.30339 142 4XX 0.07352 0.00534 -0.01075 0.04067 0.01721 143 4YY 0.04093 0.02086 0.00235 -0.07142 0.00683 144 4ZZ -0.11054 -0.02911 -0.03814 0.03950 -0.00926 145 4XY -0.14089 0.09771 -0.03453 0.02912 0.01810 146 4XZ 0.02804 0.06009 -0.00799 -0.01493 0.04426 147 4YZ 0.14909 -0.08819 -0.06112 0.03094 0.03231 148 16 C 1S -0.01513 0.01477 0.00449 0.02118 -0.00499 149 2S -0.43495 0.43147 0.09557 0.61769 -0.07611 150 2PX 0.00131 -0.09885 0.22914 -0.08081 -0.23034 151 2PY 0.11275 -0.07027 -0.09370 -0.11077 -0.03190 152 2PZ -0.07291 -0.05501 0.30228 -0.07109 -0.19863 153 3S 1.45379 -2.00550 -0.34711 -1.65501 0.84536 154 3PX 0.21204 0.74771 -2.07170 0.68644 1.72279 155 3PY -1.09785 0.80223 -0.01768 1.63178 -0.71994 156 3PZ 0.55835 0.66904 -2.43032 0.65451 1.99927 157 4XX -0.22257 0.05072 0.01540 -0.07147 -0.08937 158 4YY 0.00319 -0.01566 -0.03242 0.04779 0.02077 159 4ZZ 0.17696 -0.02470 0.02103 0.07312 0.08159 160 4XY 0.01160 0.00775 -0.00367 -0.03565 -0.03640 161 4XZ -0.02566 0.08076 0.03588 0.01912 0.04813 162 4YZ 0.03130 -0.00360 -0.08020 0.10415 0.06363 163 17 C 1S 0.00704 -0.02539 0.00017 0.01520 0.00359 164 2S 0.34133 -0.23007 0.10880 0.11108 -0.06930 165 2PX -0.09565 -0.22192 0.12535 0.05957 0.13128 166 2PY -0.10275 0.14213 -0.11143 0.06070 -0.06764 167 2PZ -0.03059 -0.01213 -0.01550 0.04769 0.09570 168 3S -0.49416 1.51162 -1.33582 0.81203 -0.61381 169 3PX -0.13588 0.84262 -1.32622 0.71292 -0.36065 170 3PY 0.46965 0.08868 -0.91002 0.05418 2.62966 171 3PZ -0.20579 0.63479 -0.39625 0.32758 -0.92887 172 4XX 0.15351 -0.04280 -0.02268 0.14576 0.15159 173 4YY 0.05361 -0.03015 0.01049 -0.02259 -0.01260 174 4ZZ -0.17307 0.03842 -0.00095 -0.05237 -0.14154 175 4XY 0.04057 0.07858 0.01103 0.14522 0.03660 176 4XZ 0.00875 0.05925 -0.00755 -0.03836 -0.03299 177 4YZ -0.09032 -0.02763 -0.02700 -0.10425 0.02633 178 18 H 1S -0.18240 0.06574 -0.00975 0.11078 0.41824 179 2S 0.15286 0.10230 0.05254 0.14636 0.62135 180 19 H 1S -0.05940 0.08594 0.21503 0.23123 -0.25619 181 2S -0.11317 -0.03892 0.33419 0.49343 -0.35652 182 20 H 1S -0.05959 0.08571 -0.21541 0.23240 0.25509 183 2S -0.11344 -0.03929 -0.33477 0.49504 0.35421 184 21 H 1S -0.18254 0.06547 0.00975 0.10886 -0.41896 185 2S 0.15250 0.10190 -0.05230 0.14344 -0.62227 186 22 O 1S -0.00635 -0.00659 -0.00898 0.01675 -0.00589 187 2S 0.05410 -0.23017 -0.13464 0.08265 -0.05302 188 2PX -0.07756 0.05780 -0.07894 -0.03534 0.01528 189 2PY -0.09816 0.15478 -0.02190 0.14177 -0.02592 190 2PZ 0.02204 0.04542 -0.23202 0.01336 -0.02292 191 3S 0.20711 0.42856 0.43259 -0.75044 0.30254 192 3PX 0.05514 -0.19990 0.44440 0.02537 -0.26128 193 3PY 0.11891 -0.34312 -0.12173 -0.05097 -0.01946 194 3PZ -0.10811 -0.18404 0.79925 -0.22802 -0.27933 195 4XX -0.04499 -0.04206 -0.01511 0.02240 -0.02685 196 4YY 0.00464 -0.06229 -0.04518 0.02518 -0.04442 197 4ZZ 0.05002 -0.06547 -0.05298 0.05917 0.01720 198 4XY 0.01324 -0.00760 0.03059 0.03198 0.02077 199 4XZ -0.01118 0.02805 0.05021 -0.03988 0.01660 200 4YZ -0.00194 -0.03011 0.08817 -0.07146 -0.03343 201 23 O 1S -0.00634 -0.00657 0.00898 0.01678 0.00581 202 2S 0.05409 -0.23005 0.13474 0.08309 0.05263 203 2PX -0.07763 0.05797 0.07894 -0.03547 -0.01509 204 2PY 0.09810 -0.15487 -0.02171 -0.14183 -0.02523 205 2PZ 0.02180 0.04557 0.23194 0.01355 0.02285 206 3S 0.20704 0.42788 -0.43237 -0.75219 -0.29890 207 3PX 0.05534 -0.20043 -0.44414 0.02663 0.26097 208 3PY -0.11887 0.34307 -0.12204 0.05066 -0.01973 209 3PZ -0.10756 -0.18454 -0.79871 -0.22702 0.28039 210 4XX -0.04496 -0.04203 0.01508 0.02257 0.02671 211 4YY 0.00465 -0.06222 0.04520 0.02543 0.04433 212 4ZZ 0.05000 -0.06545 0.05302 0.05913 -0.01748 213 4XY -0.01324 0.00764 0.03059 -0.03188 0.02100 214 4XZ -0.01117 0.02802 -0.05023 -0.04001 -0.01640 215 4YZ 0.00187 0.03019 0.08807 0.07136 -0.03385 131 132 133 134 135 V V V V V Eigenvalues -- 1.34127 1.35784 1.40075 1.40783 1.41777 1 1 C 1S -0.00002 0.00839 -0.04013 -0.00010 0.02126 2 2S -0.00027 -0.00394 -0.53421 -0.00131 0.22258 3 2PX 0.00001 -0.21370 0.08554 0.00013 0.02205 4 2PY -0.00249 -0.00001 0.00019 -0.08153 -0.00003 5 2PZ -0.00007 0.06688 -0.09916 -0.00025 -0.00670 6 3S 0.00060 -0.63837 1.44423 0.00313 -0.59662 7 3PX -0.00018 0.75266 -0.32175 -0.00069 0.07413 8 3PY 0.32009 0.00073 0.00009 -0.18680 -0.00002 9 3PZ 0.00027 -0.78645 0.30926 0.00063 -0.09786 10 4XX -0.00004 0.05098 -0.05079 -0.00008 -0.01163 11 4YY -0.00001 0.02520 0.00692 -0.00006 0.09648 12 4ZZ 0.00000 -0.08640 -0.01745 -0.00002 -0.05765 13 4XY 0.00888 0.00005 -0.00021 0.04081 0.00010 14 4XZ -0.00003 -0.05454 -0.00437 0.00013 -0.07385 15 4YZ 0.04465 0.00002 0.00060 -0.21422 -0.00024 16 2 H 1S -0.00012 0.23336 -0.22527 -0.00054 0.12692 17 2S -0.00016 0.39448 -0.39102 -0.00085 0.06992 18 3 H 1S -0.00005 -0.10633 -0.07583 -0.00016 0.02511 19 2S 0.00008 -0.19418 -0.08311 -0.00032 0.17292 20 4 C 1S 0.00712 -0.03155 0.03828 -0.00183 -0.00213 21 2S 0.39581 -0.25826 0.43219 -0.21156 -0.11571 22 2PX 0.19080 -0.01852 0.05141 -0.06669 -0.08670 23 2PY 0.01186 0.11365 0.06136 0.03564 -0.04944 24 2PZ -0.13028 0.00587 -0.04397 0.14771 0.01331 25 3S -0.52293 0.86794 -1.35209 2.51150 0.28671 26 3PX -0.07152 -0.13871 -0.11686 0.05356 -0.04097 27 3PY 0.10446 -0.20092 -0.67407 -1.46783 0.06293 28 3PZ 0.40401 0.27990 0.35861 0.94838 0.15978 29 4XX -0.10252 0.06456 0.05696 0.00597 0.12499 30 4YY 0.05990 -0.00018 -0.00433 -0.02563 -0.03549 31 4ZZ 0.04320 -0.10679 -0.01152 0.06167 -0.08131 32 4XY 0.07443 -0.11500 -0.00993 -0.29478 -0.07824 33 4XZ -0.00844 0.14763 0.06151 0.07915 0.15296 34 4YZ -0.04030 0.02346 -0.02277 0.04058 0.04757 35 5 H 1S -0.04971 -0.16167 0.35882 0.14280 0.00947 36 2S 0.08835 0.06773 0.46242 0.34521 -0.08863 37 6 C 1S 0.01821 -0.00045 0.00811 0.05850 -0.00392 38 2S 0.50799 -0.08454 0.16675 1.01750 -0.06659 39 2PX 0.16026 0.04104 0.02563 -0.02303 0.00566 40 2PY 0.03246 0.09543 -0.12168 0.02930 0.02163 41 2PZ -0.01024 0.15520 -0.11267 -0.05740 0.04849 42 3S -1.43091 -0.53160 0.15862 -5.74091 -0.15389 43 3PX -0.36354 -0.01283 0.17754 0.67143 0.00696 44 3PY 0.08713 -0.38823 0.61864 2.04322 -0.16820 45 3PZ -0.08452 -0.11138 0.39491 2.44101 -0.11402 46 4XX -0.03348 -0.02537 -0.00844 -0.11211 -0.07210 47 4YY 0.00642 -0.04744 0.04008 -0.00743 -0.00575 48 4ZZ 0.04583 0.09352 -0.02753 0.13909 0.06575 49 4XY -0.00241 0.21770 0.26948 -0.06214 0.18322 50 4XZ 0.08387 -0.15513 0.00365 -0.11717 -0.20291 51 4YZ 0.02039 0.02985 -0.16193 -0.01234 -0.02989 52 7 H 1S 0.09562 0.02311 -0.14526 -0.23202 0.04501 53 2S 0.26508 0.22611 -0.31330 -0.57904 0.11282 54 8 C 1S -0.00712 -0.03158 0.03829 0.00198 -0.00214 55 2S -0.39608 -0.25880 0.43130 0.21371 -0.11551 56 2PX -0.19091 -0.01847 0.05105 0.06713 -0.08652 57 2PY 0.01175 -0.11353 -0.06152 0.03525 0.04950 58 2PZ 0.13030 0.00605 -0.04336 -0.14795 0.01310 59 3S 0.52330 0.87159 -1.34150 -2.51741 0.28392 60 3PX 0.07190 -0.13900 -0.11644 -0.05399 -0.04112 61 3PY 0.10491 0.20116 0.68037 -1.46422 -0.06486 62 3PZ -0.40366 0.27979 0.36327 -0.94730 0.15850 63 4XX 0.10252 0.06460 0.05685 -0.00590 0.12497 64 4YY -0.05992 -0.00032 -0.00443 0.02571 -0.03546 65 4ZZ -0.04320 -0.10673 -0.01112 -0.06170 -0.08141 66 4XY 0.07444 0.11505 0.01137 -0.29474 0.07762 67 4XZ 0.00842 0.14780 0.06176 -0.07899 0.15282 68 4YZ -0.04027 -0.02337 0.02246 0.04078 -0.04737 69 9 H 1S 0.04982 -0.16195 0.35949 -0.14128 0.00921 70 2S -0.08817 0.06733 0.46394 -0.34284 -0.08917 71 10 C 1S -0.01820 -0.00040 0.00838 -0.05846 -0.00400 72 2S -0.50770 -0.08366 0.17140 -1.01675 -0.06790 73 2PX -0.16025 0.04103 0.02556 0.02314 0.00573 74 2PY 0.03248 -0.09541 0.12157 0.02989 -0.02161 75 2PZ 0.01020 0.15511 -0.11290 0.05690 0.04853 76 3S 1.43026 -0.53576 0.13293 5.74191 -0.14658 77 3PX 0.36363 -0.01230 0.18034 -0.67085 0.00615 78 3PY 0.08693 0.38673 -0.62721 2.04007 0.17076 79 3PZ 0.08508 -0.10922 0.40533 -2.43878 -0.11695 80 4XX 0.03344 -0.02539 -0.00882 0.11212 -0.07183 81 4YY -0.00635 -0.04750 0.03995 0.00759 -0.00580 82 4ZZ -0.04586 0.09362 -0.02691 -0.13924 0.06551 83 4XY -0.00239 -0.21766 -0.26919 -0.06323 -0.18333 84 4XZ -0.08385 -0.15522 0.00314 0.11742 -0.20269 85 4YZ 0.02037 -0.02985 0.16198 -0.01163 0.02984 86 11 H 1S -0.09574 0.02290 -0.14612 0.23116 0.04525 87 2S -0.26522 0.22556 -0.31555 0.57736 0.11348 88 12 C 1S -0.01568 0.02341 -0.02971 0.01834 -0.01348 89 2S -0.65911 0.46098 -0.49591 0.55156 -0.15687 90 2PX 0.02739 -0.11139 0.07657 -0.09872 0.09514 91 2PY 0.01692 0.09450 0.09678 -0.04594 0.11258 92 2PZ -0.08707 0.10500 -0.08438 0.14799 0.13922 93 3S 3.48065 -0.82016 1.28841 -1.23790 1.75037 94 3PX 1.11068 0.17168 -0.31768 -0.35992 0.12908 95 3PY 0.59674 -0.11285 -0.82993 0.45172 -0.88793 96 3PZ 1.27265 -0.32528 -0.04159 -0.72348 -0.02662 97 4XX -0.06929 -0.01053 0.03924 -0.01867 -0.06903 98 4YY 0.00232 0.08989 0.01891 -0.00101 0.02002 99 4ZZ 0.06939 -0.06464 -0.11395 0.02867 0.01515 100 4XY -0.03772 0.03737 -0.03155 -0.03547 -0.06862 101 4XZ -0.02827 -0.00010 0.00662 0.09349 -0.02698 102 4YZ -0.03320 -0.02807 -0.00034 0.00005 -0.10432 103 13 C 1S 0.01947 -0.00396 -0.01024 0.00235 0.00772 104 2S 0.58757 -0.09440 -0.32876 0.19450 0.18210 105 2PX -0.16935 0.06790 0.00456 -0.08518 -0.14854 106 2PY 0.15604 0.01474 -0.08629 0.05722 0.02267 107 2PZ 0.09857 -0.03509 -0.04197 0.09322 -0.01708 108 3S -1.73395 0.77460 0.03986 0.24747 -0.56024 109 3PX 1.39570 -0.33864 0.40788 -0.43457 1.30499 110 3PY -0.69606 -0.00282 1.19608 -0.22044 -0.34994 111 3PZ 0.57458 0.10370 0.68341 -0.76570 0.93401 112 4XX 0.10318 0.08088 0.01729 -0.03519 -0.05275 113 4YY -0.03719 0.04893 -0.00350 -0.02223 -0.06729 114 4ZZ -0.06142 -0.13886 -0.05218 0.05353 0.11580 115 4XY -0.02042 0.14239 0.06064 -0.10567 -0.20299 116 4XZ 0.10900 0.00186 0.08878 0.07316 -0.00472 117 4YZ 0.06305 -0.11593 0.00351 0.03095 0.12232 118 14 C 1S 0.01282 0.00046 0.01132 -0.00620 0.00483 119 2S 0.48749 -0.01896 0.10453 0.03606 -0.05947 120 2PX -0.14715 0.02729 0.04659 -0.02475 0.08346 121 2PY 0.08794 0.03044 0.05798 0.06597 -0.10452 122 2PZ -0.10574 0.06210 -0.00054 -0.01892 0.07166 123 3S -1.27063 -0.08668 -0.76038 0.39494 -1.03698 124 3PX 0.66971 0.00024 0.37456 -0.21092 -0.24072 125 3PY -0.24207 0.00211 -0.05015 -0.28764 0.89778 126 3PZ 1.04998 -0.07813 0.39377 -0.23950 -0.10160 127 4XX -0.05699 -0.17902 -0.02166 0.03095 0.18265 128 4YY 0.01529 -0.03067 0.04058 0.01400 -0.01850 129 4ZZ 0.07725 0.21159 -0.02798 -0.04810 -0.15500 130 4XY 0.00742 -0.03186 -0.16339 0.01683 0.06418 131 4XZ 0.05082 -0.07561 0.10149 0.01637 0.02511 132 4YZ 0.06372 0.00412 0.14163 0.02177 -0.10789 133 15 C 1S -0.01281 0.00046 0.01129 0.00624 0.00484 134 2S -0.48749 -0.01904 0.10470 -0.03549 -0.05944 135 2PX 0.14724 0.02733 0.04645 0.02480 0.08347 136 2PY 0.08801 -0.03044 -0.05829 0.06551 0.10463 137 2PZ 0.10584 0.06216 -0.00063 0.01878 0.07166 138 3S 1.26909 -0.08635 -0.75827 -0.39610 -1.03782 139 3PX -0.66976 0.00009 0.37346 0.21301 -0.24009 140 3PY -0.24310 -0.00295 0.05229 -0.28559 -0.89852 141 3PZ -1.04993 -0.07840 0.39244 0.24132 -0.10085 142 4XX 0.05709 -0.17898 -0.02157 -0.03141 0.18262 143 4YY -0.01532 -0.03065 0.04067 -0.01380 -0.01852 144 4ZZ -0.07732 0.21152 -0.02817 0.04829 -0.15493 145 4XY 0.00739 0.03184 0.16330 0.01774 -0.06411 146 4XZ -0.05083 -0.07559 0.10158 -0.01599 0.02510 147 4YZ 0.06383 -0.00412 -0.14172 0.02085 0.10789 148 16 C 1S -0.01947 -0.00396 -0.01023 -0.00241 0.00772 149 2S -0.58755 -0.09444 -0.32775 -0.19635 0.18188 150 2PX 0.16919 0.06781 0.00421 0.08552 -0.14844 151 2PY 0.15608 -0.01475 0.08599 0.05765 -0.02263 152 2PZ -0.09866 -0.03514 -0.04147 -0.09333 -0.01722 153 3S 1.73425 0.77501 0.04092 -0.24585 -0.56150 154 3PX -1.39412 -0.33837 0.40527 0.43346 1.30622 155 3PY -0.69629 0.00227 -1.19459 -0.22616 0.34967 156 3PZ -0.57334 0.10408 0.67902 0.76667 0.93573 157 4XX -0.10327 0.08080 0.01711 0.03544 -0.05259 158 4YY 0.03719 0.04889 -0.00358 0.02232 -0.06730 159 4ZZ 0.06152 -0.13873 -0.05193 -0.05403 0.11566 160 4XY -0.02036 -0.14237 -0.06020 -0.10633 0.20292 161 4XZ -0.10906 0.00191 0.08911 -0.07273 -0.00482 162 4YZ 0.06302 0.11594 -0.00360 0.03116 -0.12241 163 17 C 1S 0.01568 0.02341 -0.02962 -0.01843 -0.01352 164 2S 0.65895 0.46121 -0.49337 -0.55319 -0.15797 165 2PX -0.02719 -0.11134 0.07620 0.09882 0.09531 166 2PY 0.01672 -0.09456 -0.09651 -0.04614 -0.11267 167 2PZ 0.08711 0.10515 -0.08370 -0.14853 0.13891 168 3S -3.47912 -0.82142 1.28293 1.23959 1.75345 169 3PX -1.11054 0.17083 -0.31968 0.35823 0.12988 170 3PY 0.59776 0.11426 0.82658 0.45350 0.88893 171 3PZ -1.27291 -0.32638 -0.04484 0.72311 -0.02489 172 4XX 0.06938 -0.01041 0.03920 0.01893 -0.06914 173 4YY -0.00234 0.08989 0.01891 0.00109 0.02005 174 4ZZ -0.06943 -0.06476 -0.11383 -0.02919 0.01522 175 4XY -0.03759 -0.03734 0.03167 -0.03542 0.06859 176 4XZ 0.02815 -0.00008 0.00706 -0.09337 -0.02719 177 4YZ -0.03316 0.02805 0.00033 -0.00016 0.10435 178 18 H 1S 0.21532 0.05336 -0.24935 0.00393 -0.07679 179 2S 0.12099 -0.00024 -0.23803 -0.10281 -0.39423 180 19 H 1S -0.17290 0.00044 -0.07869 0.02966 0.18467 181 2S -0.33958 0.07150 -0.16844 0.00148 0.33959 182 20 H 1S 0.17306 0.00061 -0.07863 -0.03035 0.18460 183 2S 0.33990 0.07173 -0.16853 -0.00283 0.33951 184 21 H 1S -0.21549 0.05305 -0.24920 -0.00482 -0.07678 185 2S -0.12140 -0.00078 -0.23840 0.10246 -0.39405 186 22 O 1S 0.00571 0.01033 -0.02359 -0.00363 0.00407 187 2S 0.12382 0.24945 -0.26694 0.00058 0.03558 188 2PX -0.16580 -0.04009 0.02359 -0.02284 -0.02263 189 2PY -0.02695 -0.09527 -0.02681 -0.03550 0.00912 190 2PZ -0.03691 0.00911 -0.01696 0.03987 -0.02112 191 3S -0.22883 -0.62922 1.20052 0.17684 -0.19318 192 3PX 0.51207 0.20047 -0.11502 0.01529 -0.25556 193 3PY 0.13800 0.24819 -0.24267 -0.01317 0.04621 194 3PZ 0.12847 -0.11084 -0.03935 -0.17894 -0.05254 195 4XX 0.03195 0.09569 -0.04802 0.03413 -0.05722 196 4YY 0.01794 0.04534 -0.09942 -0.00928 0.06347 197 4ZZ 0.04898 0.04534 -0.08728 -0.03156 0.02963 198 4XY 0.07711 0.07943 0.03895 0.05664 -0.14571 199 4XZ -0.05777 -0.03777 0.10559 -0.00984 0.04395 200 4YZ 0.01291 -0.08260 -0.02425 -0.04004 0.07379 201 23 O 1S -0.00570 0.01034 -0.02361 0.00353 0.00409 202 2S -0.12359 0.24956 -0.26700 -0.00172 0.03577 203 2PX 0.16576 -0.04005 0.02344 0.02298 -0.02260 204 2PY -0.02685 0.09527 0.02699 -0.03533 -0.00916 205 2PZ 0.03689 0.00918 -0.01678 -0.03990 -0.02120 206 3S 0.22833 -0.62967 1.20165 -0.17155 -0.19406 207 3PX -0.51230 0.20048 -0.11504 -0.01520 -0.25541 208 3PY 0.13769 -0.24827 0.24276 -0.01213 -0.04645 209 3PZ -0.12862 -0.11093 -0.04024 0.17889 -0.05224 210 4XX -0.03195 0.09575 -0.04787 -0.03421 -0.05726 211 4YY -0.01783 0.04537 -0.09947 0.00876 0.06354 212 4ZZ -0.04892 0.04534 -0.08745 0.03115 0.02976 213 4XY 0.07716 -0.07940 -0.03917 0.05618 0.14569 214 4XZ 0.05777 -0.03782 0.10558 0.01023 0.04393 215 4YZ 0.01291 0.08262 0.02443 -0.03979 -0.07378 136 137 138 139 140 V V V V V Eigenvalues -- 1.42120 1.43719 1.45358 1.48632 1.52243 1 1 C 1S 0.00003 0.03744 0.00000 -0.01509 -0.04326 2 2S 0.00036 0.57452 0.00002 -0.25261 -0.65997 3 2PX 0.00006 0.27235 -0.00002 -0.08072 -0.14709 4 2PY -0.04492 0.00002 -0.03513 -0.00004 0.00002 5 2PZ 0.00003 -0.03519 0.00001 0.05131 -0.09558 6 3S -0.00085 -0.98635 -0.00012 0.66906 1.44906 7 3PX 0.00012 -0.66738 0.00008 0.20260 0.23598 8 3PY -0.50109 0.00019 -0.07673 -0.00017 0.00025 9 3PZ -0.00027 0.25606 -0.00009 -0.00356 0.47643 10 4XX 0.00005 -0.05946 0.00003 0.02047 0.03638 11 4YY -0.00003 0.08377 -0.00003 0.01239 -0.12420 12 4ZZ 0.00001 0.03414 0.00001 -0.04181 0.03452 13 4XY -0.29161 0.00009 -0.11889 -0.00010 0.00019 14 4XZ -0.00008 -0.00773 -0.00002 -0.03394 0.10140 15 4YZ 0.26927 -0.00013 0.07984 0.00008 -0.00015 16 2 H 1S 0.00018 0.10247 0.00003 -0.10357 -0.21384 17 2S 0.00011 -0.23971 0.00005 0.05538 -0.04794 18 3 H 1S 0.00004 0.18112 -0.00001 -0.03166 -0.06791 19 2S 0.00006 0.23891 -0.00002 -0.09690 -0.04943 20 4 C 1S -0.01270 0.01407 0.00047 0.01213 -0.00832 21 2S -0.08116 0.15277 -0.12595 0.09356 -0.09599 22 2PX 0.02287 -0.02714 -0.05616 0.02236 -0.02898 23 2PY 0.03949 -0.13163 -0.02241 -0.00967 0.16175 24 2PZ 0.05862 -0.01797 0.04142 0.00481 0.03096 25 3S 0.76823 -0.17866 1.05856 -0.49829 -0.20849 26 3PX -0.10938 -0.08839 0.07988 -0.02219 0.24724 27 3PY -0.64974 0.19634 -0.34408 -0.03866 -0.06659 28 3PZ -0.21235 -0.14374 0.35867 0.03015 -0.04107 29 4XX 0.20845 0.11782 0.08767 -0.04531 -0.07014 30 4YY -0.03381 -0.03365 -0.01870 -0.03758 0.11866 31 4ZZ -0.18332 -0.04551 -0.04813 0.07919 -0.05382 32 4XY 0.07006 0.00192 -0.01864 0.01877 -0.07281 33 4XZ 0.16977 0.05129 0.07645 -0.03271 0.00425 34 4YZ -0.14577 0.03097 -0.04697 0.01841 -0.01394 35 5 H 1S 0.03021 0.04172 0.01073 0.13954 -0.12138 36 2S 0.14987 -0.10399 0.01953 0.03676 0.13826 37 6 C 1S 0.00715 -0.00109 0.01790 0.00064 0.00327 38 2S 0.01804 -0.09024 0.34987 -0.00922 -0.01008 39 2PX -0.09253 -0.11134 -0.04392 0.04681 -0.05012 40 2PY 0.03446 -0.02536 0.01881 -0.04182 0.00032 41 2PZ -0.00058 -0.01584 -0.04862 -0.06891 0.02147 42 3S -0.83623 0.26427 -1.95846 0.19336 0.15992 43 3PX 0.26798 0.02596 0.31557 -0.00266 0.15540 44 3PY 0.80940 -0.03418 0.68441 0.15744 0.27578 45 3PZ 0.56370 -0.20448 1.02958 0.05821 0.23284 46 4XX -0.04730 0.01116 -0.06541 0.05385 -0.05975 47 4YY -0.01501 -0.02131 -0.00052 0.01904 0.05552 48 4ZZ 0.06663 0.02811 0.06928 -0.09509 0.03436 49 4XY 0.05292 -0.11912 0.00199 0.13426 0.09857 50 4XZ -0.15401 -0.16893 -0.08602 0.13734 0.01143 51 4YZ 0.00072 0.01608 -0.00535 -0.13485 0.05470 52 7 H 1S -0.14859 0.10314 -0.12459 0.02128 -0.20977 53 2S -0.30536 0.02852 -0.25918 -0.11490 -0.16568 54 8 C 1S 0.01268 0.01406 -0.00048 0.01214 -0.00833 55 2S 0.08085 0.15281 0.12598 0.09359 -0.09588 56 2PX -0.02297 -0.02711 0.05620 0.02228 -0.02882 57 2PY 0.03962 0.13163 -0.02241 0.00969 -0.16186 58 2PZ -0.05860 -0.01792 -0.04143 0.00473 0.03105 59 3S -0.76715 -0.17860 -1.05843 -0.49958 -0.20726 60 3PX 0.10939 -0.08863 -0.07985 -0.02203 0.24704 61 3PY -0.65027 -0.19626 -0.34404 0.03780 0.06804 62 3PZ 0.21222 -0.14420 -0.35881 0.02995 -0.04091 63 4XX -0.20833 0.11800 -0.08770 -0.04536 -0.07004 64 4YY 0.03382 -0.03368 0.01871 -0.03756 0.11865 65 4ZZ 0.18320 -0.04569 0.04812 0.07922 -0.05392 66 4XY 0.07007 -0.00199 -0.01865 -0.01869 0.07270 67 4XZ -0.16964 0.05149 -0.07644 -0.03276 0.00436 68 4YZ -0.14589 -0.03083 -0.04698 -0.01858 0.01419 69 9 H 1S -0.03043 0.04166 -0.01077 0.13949 -0.12125 70 2S -0.15027 -0.10401 -0.01952 0.03655 0.13874 71 10 C 1S -0.00715 -0.00109 -0.01791 0.00061 0.00329 72 2S -0.01825 -0.09044 -0.34991 -0.00960 -0.00969 73 2PX 0.09243 -0.11144 0.04393 0.04681 -0.05015 74 2PY 0.03439 0.02533 0.01881 0.04186 -0.00035 75 2PZ 0.00072 -0.01582 0.04864 -0.06887 0.02145 76 3S 0.83600 0.26486 1.95849 0.19594 0.15681 77 3PX -0.26819 0.02611 -0.31571 -0.00311 0.15606 78 3PY 0.81001 0.03393 0.68450 -0.15602 -0.27784 79 3PZ -0.56409 -0.20452 -1.02958 0.05680 0.23441 80 4XX 0.04727 0.01108 0.06541 0.05394 -0.05982 81 4YY 0.01497 -0.02128 0.00050 0.01899 0.05547 82 4ZZ -0.06654 0.02816 -0.06927 -0.09511 0.03444 83 4XY 0.05303 0.11909 0.00202 -0.13426 -0.09861 84 4XZ 0.15377 -0.16907 0.08606 0.13733 0.01135 85 4YZ 0.00065 -0.01612 -0.00534 0.13488 -0.05469 86 11 H 1S 0.14879 0.10305 0.12460 0.02153 -0.21011 87 2S 0.30571 0.02837 0.25920 -0.11438 -0.16638 88 12 C 1S -0.03136 -0.02111 -0.00523 -0.00932 0.01826 89 2S -0.35080 -0.33714 0.03087 -0.16291 0.25251 90 2PX -0.00652 0.07057 -0.06521 0.05220 -0.13993 91 2PY 0.03699 -0.03035 -0.00823 -0.02385 -0.11691 92 2PZ -0.02851 0.03235 0.04756 -0.07954 -0.00571 93 3S 2.14140 0.87786 0.35902 0.66476 -1.00777 94 3PX 0.78005 -0.27530 0.22400 0.17894 0.16733 95 3PY -0.61605 -0.20510 0.32556 -0.16568 0.51407 96 3PZ 0.46273 -0.04938 -0.21998 0.30076 0.07554 97 4XX -0.12300 0.12153 -0.05962 -0.17352 0.08424 98 4YY 0.00859 -0.01591 0.01388 -0.00549 0.02812 99 4ZZ 0.10445 -0.15230 0.04947 0.19011 -0.07952 100 4XY -0.03057 0.00456 0.01139 -0.07726 0.38222 101 4XZ -0.05049 0.10121 -0.00335 -0.10493 0.17773 102 4YZ -0.03571 -0.00057 -0.04247 -0.02819 -0.10995 103 13 C 1S 0.01372 -0.00269 0.00882 0.00678 -0.00491 104 2S 0.16888 0.05421 0.10354 0.09463 0.19343 105 2PX -0.08545 -0.02959 0.04717 -0.01529 -0.02103 106 2PY 0.00013 0.01683 0.02310 0.01084 0.01412 107 2PZ -0.12461 -0.02194 -0.02728 -0.03011 0.04506 108 3S -1.91839 -0.93600 -0.67357 -0.54687 -0.98807 109 3PX 0.95073 0.24221 -0.37754 0.34687 -0.53699 110 3PY -0.54399 0.54775 -0.45598 -0.26274 0.18829 111 3PZ 1.02031 0.23230 -0.21518 0.30196 -0.62622 112 4XX 0.10511 -0.14072 0.23219 0.11028 0.04189 113 4YY -0.09000 0.01307 0.07034 -0.01636 -0.01704 114 4ZZ -0.02102 0.09838 -0.30108 -0.08692 -0.03862 115 4XY -0.14841 0.11372 0.22479 0.00425 -0.02470 116 4XZ -0.04223 0.14396 0.05572 0.00094 0.02901 117 4YZ 0.16881 -0.15181 -0.15738 0.07909 0.09167 118 14 C 1S -0.01267 -0.00045 -0.00770 0.00264 -0.00741 119 2S -0.28001 -0.03075 -0.19875 -0.02157 -0.03233 120 2PX 0.06354 -0.05670 -0.02820 -0.07061 -0.05983 121 2PY -0.02859 -0.04273 -0.02238 -0.00962 0.00078 122 2PZ 0.01483 0.04472 0.08256 0.10359 -0.03078 123 3S 1.78848 -0.10396 1.08362 -0.13147 0.83179 124 3PX -0.57914 0.06994 -0.49608 -0.02826 -0.05390 125 3PY 1.58536 0.07212 0.09490 0.15268 -0.42945 126 3PZ -0.52055 0.05851 -0.58331 -0.07024 -0.07737 127 4XX 0.06884 -0.16075 -0.25560 -0.25223 0.00781 128 4YY 0.00898 0.04627 -0.00919 -0.01903 0.01361 129 4ZZ -0.07933 0.09478 0.25988 0.28106 -0.03978 130 4XY -0.02653 0.16933 -0.05692 0.27728 0.12312 131 4XZ 0.01848 0.06837 -0.04202 0.00931 0.03408 132 4YZ 0.00170 -0.14738 0.01502 -0.25147 -0.02971 133 15 C 1S 0.01266 -0.00047 0.00770 0.00264 -0.00741 134 2S 0.27992 -0.03111 0.19876 -0.02153 -0.03242 135 2PX -0.06357 -0.05662 0.02820 -0.07063 -0.05982 136 2PY -0.02850 0.04276 -0.02240 0.00962 -0.00077 137 2PZ -0.01478 0.04473 -0.08256 0.10360 -0.03081 138 3S -1.78865 -0.10177 -1.08358 -0.13179 0.83264 139 3PX 0.57874 0.06933 0.49609 -0.02823 -0.05392 140 3PY 1.58499 -0.07419 0.09504 -0.15233 0.42853 141 3PZ 0.52037 0.05793 0.58331 -0.07022 -0.07739 142 4XX -0.06885 -0.16059 0.25560 -0.25226 0.00798 143 4YY -0.00898 0.04625 0.00917 -0.01910 0.01360 144 4ZZ 0.07934 0.09465 -0.25986 0.28114 -0.03993 145 4XY -0.02677 -0.16935 -0.05688 -0.27728 -0.12318 146 4XZ -0.01846 0.06838 0.04201 0.00925 0.03412 147 4YZ 0.00193 0.14741 0.01501 0.25145 0.02977 148 16 C 1S -0.01371 -0.00267 -0.00882 0.00678 -0.00490 149 2S -0.16857 0.05442 -0.10361 0.09454 0.19353 150 2PX 0.08535 -0.02971 -0.04714 -0.01523 -0.02106 151 2PY 0.00006 -0.01682 0.02310 -0.01084 -0.01409 152 2PZ 0.12458 -0.02210 0.02729 -0.03009 0.04498 153 3S 1.91736 -0.93811 0.67394 -0.54661 -0.98889 154 3PX -0.95008 0.24356 0.37745 0.34649 -0.53616 155 3PY -0.54380 -0.54699 -0.45583 0.26272 -0.18772 156 3PZ -1.02001 0.23365 0.21513 0.30180 -0.62571 157 4XX -0.10524 -0.14075 -0.23218 0.11049 0.04144 158 4YY 0.08997 0.01299 -0.07030 -0.01638 -0.01695 159 4ZZ 0.02118 0.09848 0.30104 -0.08712 -0.03825 160 4XY -0.14845 -0.11364 0.22478 -0.00422 0.02462 161 4XZ 0.04226 0.14387 -0.05575 0.00094 0.02903 162 4YZ 0.16891 0.15171 -0.15741 -0.07915 -0.09148 163 17 C 1S 0.03135 -0.02114 0.00524 -0.00932 0.01827 164 2S 0.35081 -0.33756 -0.03077 -0.16309 0.25261 165 2PX 0.00643 0.07061 0.06516 0.05227 -0.14010 166 2PY 0.03702 0.03030 -0.00822 0.02385 0.11691 167 2PZ 0.02864 0.03232 -0.04755 -0.07955 -0.00574 168 3S -2.14083 0.88010 -0.35934 0.66529 -1.00753 169 3PX -0.77966 -0.27447 -0.22390 0.17873 0.16842 170 3PY -0.61604 0.20614 0.32543 0.16523 -0.51368 171 3PZ -0.46275 -0.04873 0.21992 0.30054 0.07683 172 4XX 0.12315 0.12154 0.05955 -0.17366 0.08450 173 4YY -0.00859 -0.01590 -0.01387 -0.00549 0.02816 174 4ZZ -0.10460 -0.15232 -0.04941 0.19023 -0.07977 175 4XY -0.03062 -0.00452 0.01145 0.07721 -0.38221 176 4XZ 0.05058 0.10117 0.00332 -0.10497 0.17775 177 4YZ -0.03565 0.00058 -0.04245 0.02827 0.10980 178 18 H 1S -0.14470 -0.08527 -0.03255 -0.03387 0.09249 179 2S -0.08691 -0.21918 -0.03532 0.07654 0.28645 180 19 H 1S 0.18908 0.01183 0.04841 0.01367 -0.04263 181 2S 0.34398 -0.05782 0.15075 0.05756 -0.13257 182 20 H 1S -0.18896 0.01204 -0.04843 0.01364 -0.04262 183 2S -0.34382 -0.05741 -0.15075 0.05753 -0.13249 184 21 H 1S 0.14475 -0.08542 0.03258 -0.03390 0.09272 185 2S 0.08679 -0.21931 0.03535 0.07646 0.28691 186 22 O 1S 0.00868 -0.02746 -0.00310 0.00209 -0.01763 187 2S 0.13703 -0.48686 -0.05106 -0.01209 -0.42479 188 2PX 0.06287 0.03704 -0.02715 -0.00523 0.02264 189 2PY -0.03420 0.09038 0.01894 0.02061 0.15054 190 2PZ -0.03043 -0.03912 0.04081 0.02016 0.02742 191 3S -0.40186 1.50107 0.18580 -0.03099 1.14089 192 3PX 0.12202 -0.09826 -0.11889 -0.05394 -0.00765 193 3PY 0.19203 -0.51265 -0.01387 -0.03113 -0.45737 194 3PZ 0.10369 -0.00330 0.00670 -0.05067 0.12678 195 4XX 0.03367 -0.11898 -0.14172 0.04436 -0.06418 196 4YY -0.01012 -0.19509 0.03140 0.01113 -0.11762 197 4ZZ 0.08195 -0.05580 0.06841 -0.04862 -0.11141 198 4XY 0.10225 0.07901 -0.12978 -0.03418 -0.02741 199 4XZ -0.04864 0.05578 0.00942 0.03673 0.02548 200 4YZ -0.08510 -0.09112 0.13642 0.03626 0.10918 201 23 O 1S -0.00869 -0.02746 0.00311 0.00209 -0.01764 202 2S -0.13728 -0.48679 0.05121 -0.01208 -0.42489 203 2PX -0.06286 0.03711 0.02714 -0.00522 0.02263 204 2PY -0.03431 -0.09034 0.01899 -0.02061 -0.15053 205 2PZ 0.03041 -0.03914 -0.04080 0.02014 0.02747 206 3S 0.40243 1.50089 -0.18624 -0.03100 1.14133 207 3PX -0.12216 -0.09818 0.11893 -0.05398 -0.00763 208 3PY 0.19232 0.51250 -0.01402 0.03112 0.45745 209 3PZ -0.10374 -0.00313 -0.00671 -0.05067 0.12685 210 4XX -0.03378 -0.11891 0.14179 0.04430 -0.06405 211 4YY 0.01005 -0.19513 -0.03137 0.01113 -0.11761 212 4ZZ -0.08195 -0.05577 -0.06839 -0.04855 -0.11162 213 4XY 0.10224 -0.07906 -0.12975 0.03414 0.02754 214 4XZ 0.04865 0.05574 -0.00946 0.03673 0.02554 215 4YZ -0.08505 0.09119 0.13641 -0.03624 -0.10928 141 142 143 144 145 V V V V V Eigenvalues -- 1.53988 1.54510 1.62888 1.64045 1.65244 1 1 C 1S 0.00003 -0.08848 0.00002 -0.04242 0.00006 2 2S 0.00047 -1.21885 0.00033 -0.55221 0.00080 3 2PX 0.00008 -0.05364 -0.00003 0.06645 -0.00008 4 2PY 0.02918 0.00003 0.06347 0.00001 0.00219 5 2PZ 0.00004 -0.06403 -0.00006 0.09648 -0.00021 6 3S -0.00120 3.85017 -0.00124 2.27283 -0.00302 7 3PX -0.00037 0.67249 -0.00016 0.12621 -0.00026 8 3PY 0.35475 -0.00003 0.13158 0.00060 0.34472 9 3PZ -0.00006 0.45052 0.00017 0.03067 0.00047 10 4XX -0.00005 -0.17862 0.00007 -0.12554 0.00017 11 4YY 0.00010 0.15678 -0.00018 0.27729 -0.00050 12 4ZZ -0.00001 -0.05405 0.00012 -0.16167 0.00034 13 4XY 0.32268 0.00002 0.02082 0.00040 0.20414 14 4XZ 0.00005 -0.19522 0.00018 -0.28698 0.00059 15 4YZ -0.25887 -0.00005 0.02516 0.00005 0.06576 16 2 H 1S 0.00007 -0.23473 0.00007 -0.17887 0.00023 17 2S 0.00000 -0.21188 0.00008 -0.19481 0.00021 18 3 H 1S 0.00010 -0.35107 0.00006 -0.08853 0.00013 19 2S 0.00014 -0.20410 0.00023 -0.27518 0.00058 20 4 C 1S 0.00601 0.01491 0.00137 0.03920 0.01848 21 2S 0.05868 0.22935 -0.11741 0.42315 0.42074 22 2PX -0.06966 0.05432 -0.14588 0.06179 0.07810 23 2PY -0.04756 0.11760 -0.03575 -0.01711 0.04564 24 2PZ -0.09492 -0.00249 -0.05313 -0.03184 -0.13056 25 3S -1.27358 -1.47447 -0.93499 -1.68436 -1.91076 26 3PX 0.04132 0.32813 0.20840 0.15307 -0.26195 27 3PY 0.93605 0.25209 0.98543 0.04224 0.61591 28 3PZ -0.17057 0.57018 -0.33675 0.41182 0.05411 29 4XX -0.07593 -0.00978 0.14806 0.16697 -0.04816 30 4YY 0.01485 -0.01832 -0.01649 -0.20627 0.08144 31 4ZZ 0.06330 -0.01044 -0.12205 0.07353 -0.08699 32 4XY -0.14081 0.00649 -0.10684 -0.03764 -0.04841 33 4XZ 0.00952 0.09906 0.14923 -0.00440 0.24612 34 4YZ 0.21879 -0.09921 0.08683 0.11278 0.12392 35 5 H 1S -0.06134 0.10391 -0.12933 0.40049 -0.03575 36 2S -0.24231 0.19236 -0.31789 0.22719 0.02783 37 6 C 1S -0.02353 0.00625 -0.01763 0.00228 -0.02550 38 2S -0.43005 0.04895 -0.20759 -0.09539 -0.31109 39 2PX -0.02985 -0.07194 -0.02161 -0.03156 -0.02462 40 2PY -0.03893 -0.00206 -0.03358 -0.03037 -0.01823 41 2PZ 0.04316 0.09895 0.06264 -0.02523 0.03509 42 3S 2.77352 -0.13454 1.96038 0.14467 2.39913 43 3PX -0.36368 0.05187 -0.60112 -0.05674 -0.33454 44 3PY -1.52324 0.02608 -1.17708 -0.05561 -1.21729 45 3PZ -1.33714 0.06943 -1.56279 -0.21618 -1.28598 46 4XX 0.04320 -0.15752 -0.06925 0.14983 -0.09447 47 4YY 0.01754 -0.02569 0.02645 -0.05630 0.01322 48 4ZZ -0.03519 0.19015 0.07396 -0.07915 0.08513 49 4XY -0.00529 -0.30433 0.02105 -0.10671 0.05604 50 4XZ -0.02632 -0.08862 -0.22117 -0.03934 -0.18866 51 4YZ -0.01496 0.17747 0.05206 -0.10511 -0.00612 52 7 H 1S 0.24236 -0.11546 0.30051 0.19893 0.18851 53 2S 0.50163 -0.01064 0.60730 0.01887 0.45615 54 8 C 1S -0.00599 0.01490 -0.00141 0.03916 -0.01860 55 2S -0.05859 0.22936 0.11696 0.42213 -0.42202 56 2PX 0.06967 0.05436 0.14580 0.06173 -0.07835 57 2PY -0.04735 -0.11764 -0.03572 0.01722 0.04557 58 2PZ 0.09492 -0.00250 0.05318 -0.03135 0.13069 59 3S 1.27379 -1.47425 0.93662 -1.67779 1.91534 60 3PX -0.04178 0.32831 -0.20867 0.15379 0.26154 61 3PY 0.93614 -0.25157 0.98517 -0.03922 0.61529 62 3PZ 0.17031 0.57035 0.33613 0.41171 -0.05584 63 4XX 0.07596 -0.00981 -0.14825 0.16702 0.04753 64 4YY -0.01503 -0.01829 0.01671 -0.20648 -0.08065 65 4ZZ -0.06314 -0.01045 0.12200 0.07391 0.08673 66 4XY -0.14089 -0.00655 -0.10693 0.03733 -0.04849 67 4XZ -0.00966 0.09903 -0.14930 -0.00547 -0.24617 68 4YZ 0.21882 0.09929 0.08696 -0.11224 0.12427 69 9 H 1S 0.06159 0.10399 0.12889 0.40077 0.03428 70 2S 0.24210 0.19256 0.31746 0.22747 -0.02874 71 10 C 1S 0.02352 0.00625 0.01763 0.00238 0.02549 72 2S 0.43016 0.04906 0.20775 -0.09418 0.31145 73 2PX 0.02997 -0.07193 0.02165 -0.03143 0.02468 74 2PY -0.03885 0.00201 -0.03360 0.03025 -0.01835 75 2PZ -0.04332 0.09895 -0.06266 -0.02548 -0.03508 76 3S -2.77325 -0.13550 -1.96028 0.13513 -2.39897 77 3PX 0.36376 0.05194 0.60130 -0.05505 0.33488 78 3PY -1.52339 -0.02657 -1.17723 0.05016 -1.21760 79 3PZ 1.33693 0.06981 1.56288 -0.21027 1.28644 80 4XX -0.04312 -0.15761 0.06905 0.15025 0.09384 81 4YY -0.01754 -0.02557 -0.02638 -0.05636 -0.01295 82 4ZZ 0.03505 0.19012 -0.07385 -0.07955 -0.08482 83 4XY -0.00536 0.30430 0.02101 0.10694 0.05574 84 4XZ 0.02649 -0.08854 0.22129 -0.03838 0.18885 85 4YZ -0.01473 -0.17752 0.05199 0.10513 -0.00648 86 11 H 1S -0.24218 -0.11554 -0.30074 0.19791 -0.18926 87 2S -0.50169 -0.01077 -0.60734 0.01661 -0.45624 88 12 C 1S -0.01921 -0.00601 0.01464 -0.01378 0.01016 89 2S -0.29968 -0.00164 0.18306 -0.04785 -0.13499 90 2PX 0.12879 -0.05897 -0.04197 0.01903 0.02177 91 2PY -0.03164 0.07458 0.04702 -0.02641 -0.15775 92 2PZ 0.06401 0.00329 -0.13889 0.06290 -0.08627 93 3S 1.65468 0.49100 -2.44409 0.77227 2.35058 94 3PX -0.22158 0.13946 -0.42775 0.12084 1.50134 95 3PY 0.62807 -0.57676 -0.46416 -0.17519 1.63672 96 3PZ -0.72390 -0.08938 0.08025 0.28130 2.05075 97 4XX -0.12497 -0.13640 -0.04926 0.14662 0.09565 98 4YY -0.00319 0.09880 -0.01426 -0.01655 -0.02796 99 4ZZ 0.11957 -0.01448 0.04101 -0.09922 0.03611 100 4XY 0.00923 -0.08940 0.05675 0.24663 0.00418 101 4XZ -0.02774 0.03213 -0.06143 -0.13411 -0.02972 102 4YZ -0.12015 -0.02065 0.00893 -0.08133 0.09931 103 13 C 1S 0.00939 -0.00187 -0.02799 0.00863 0.03290 104 2S 0.15043 -0.23226 -0.51914 0.26739 0.64945 105 2PX -0.02767 0.00528 0.13953 -0.04825 0.00076 106 2PY 0.02621 -0.07289 -0.00864 0.08803 0.00454 107 2PZ -0.03272 -0.05442 0.08662 -0.04803 0.03244 108 3S -0.82646 0.28099 3.97884 -0.41323 -4.57294 109 3PX -0.30378 0.34258 -0.06132 0.49824 -0.21526 110 3PY -0.78464 0.58326 1.65439 -0.77582 -2.34343 111 3PZ -0.15095 0.63254 0.22080 0.29840 -0.94010 112 4XX 0.25558 0.08375 0.03284 -0.01883 -0.16353 113 4YY -0.05930 -0.02658 0.04329 0.02795 0.04006 114 4ZZ -0.21605 -0.07545 -0.01239 0.01841 0.07636 115 4XY -0.08436 -0.03338 0.04208 0.09050 0.05295 116 4XZ -0.02390 0.05827 -0.09241 -0.16032 -0.03530 117 4YZ 0.12881 0.07220 0.06423 0.01367 -0.07772 118 14 C 1S -0.01627 0.00774 0.05411 0.00258 -0.04446 119 2S -0.34733 0.04277 1.00792 0.01039 -0.71537 120 2PX 0.06354 0.01963 -0.15583 -0.01114 0.04545 121 2PY -0.00263 0.03367 0.03937 0.01133 -0.05150 122 2PZ 0.06399 0.04862 -0.10512 -0.00759 0.01729 123 3S 2.01447 -0.64784 -6.25206 -0.14318 5.22477 124 3PX -0.98207 0.21459 2.46072 -0.15234 -1.95783 125 3PY 0.68055 0.10437 -2.60693 0.24154 1.15122 126 3PZ -1.04929 0.21555 2.56575 -0.13228 -2.09728 127 4XX -0.04930 -0.07053 -0.01712 0.10293 0.04325 128 4YY -0.01223 0.02288 -0.03127 -0.07995 0.01336 129 4ZZ 0.05838 0.03693 0.01336 0.01186 -0.01432 130 4XY -0.04748 0.02604 0.02761 0.02475 -0.01097 131 4XZ -0.03271 0.08015 0.05729 -0.08661 -0.02084 132 4YZ 0.01210 -0.03256 0.02222 -0.00068 -0.02773 133 15 C 1S 0.01628 0.00775 -0.05412 0.00267 0.04445 134 2S 0.34732 0.04305 -1.00797 0.01156 0.71529 135 2PX -0.06350 0.01957 0.15585 -0.01111 -0.04541 136 2PY -0.00263 -0.03368 0.03937 -0.01142 -0.05155 137 2PZ -0.06392 0.04858 0.10515 -0.00754 -0.01724 138 3S -2.01521 -0.64956 6.25224 -0.15290 -5.22427 139 3PX 0.98199 0.21530 -2.46018 -0.14868 1.95828 140 3PY 0.68020 -0.10329 -2.60693 -0.24118 1.15254 141 3PZ 1.04929 0.21632 -2.56555 -0.12828 2.09782 142 4XX 0.04918 -0.07056 0.01696 0.10284 -0.04365 143 4YY 0.01219 0.02287 0.03136 -0.07996 -0.01309 144 4ZZ -0.05819 0.03697 -0.01332 0.01188 0.01431 145 4XY -0.04743 -0.02606 0.02761 -0.02473 -0.01097 146 4XZ 0.03271 0.08015 -0.05712 -0.08660 0.02122 147 4YZ 0.01216 0.03256 0.02219 0.00061 -0.02778 148 16 C 1S -0.00938 -0.00188 0.02798 0.00856 -0.03294 149 2S -0.15060 -0.23238 0.51882 0.26584 -0.65042 150 2PX 0.02770 0.00533 -0.13949 -0.04839 -0.00070 151 2PY 0.02626 0.07290 -0.00852 -0.08800 0.00486 152 2PZ 0.03270 -0.05436 -0.08658 -0.04826 -0.03235 153 3S 0.82691 0.28167 -3.97842 -0.40382 4.57428 154 3PX 0.30454 0.34244 0.06068 0.49936 0.21394 155 3PY -0.78413 -0.58380 1.65351 0.77010 -2.34690 156 3PZ 0.15171 0.63234 -0.22107 0.30166 0.93912 157 4XX -0.25554 0.08376 -0.03281 -0.01836 0.16350 158 4YY 0.05928 -0.02657 -0.04331 0.02775 -0.04012 159 4ZZ 0.21603 -0.07546 0.01234 0.01822 -0.07636 160 4XY -0.08439 0.03336 0.04217 -0.09030 0.05316 161 4XZ 0.02386 0.05828 0.09262 -0.16006 0.03588 162 4YZ 0.12883 -0.07218 0.06419 -0.01383 -0.07769 163 17 C 1S 0.01917 -0.00600 -0.01463 -0.01385 -0.01011 164 2S 0.29895 -0.00155 -0.18303 -0.04802 0.13516 165 2PX -0.12853 -0.05898 0.04200 0.01896 -0.02172 166 2PY -0.03173 -0.07458 0.04704 0.02595 -0.15783 167 2PZ -0.06408 0.00320 0.13877 0.06325 0.08601 168 3S -1.65285 0.49007 2.44340 0.76907 -2.35350 169 3PX 0.22156 0.13941 0.42748 0.11699 -1.50209 170 3PY 0.62865 0.57668 -0.46433 0.17981 1.63596 171 3PZ 0.72400 -0.08894 -0.08038 0.27525 -2.05198 172 4XX 0.12477 -0.13642 0.04898 0.14638 -0.09597 173 4YY 0.00310 0.09880 0.01431 -0.01641 0.02800 174 4ZZ -0.11930 -0.01444 -0.04083 -0.09945 -0.03585 175 4XY 0.00985 0.08936 0.05716 -0.24654 0.00477 176 4XZ 0.02749 0.03209 0.06157 -0.13392 0.03012 177 4YZ -0.12024 0.02060 0.00877 0.08164 0.09896 178 18 H 1S -0.23797 -0.08117 0.11429 -0.00426 0.42605 179 2S -0.33130 -0.11523 0.22505 0.11057 0.86967 180 19 H 1S 0.17112 -0.02828 -0.43219 0.09532 0.18372 181 2S 0.39378 -0.05002 -1.03424 0.11943 0.61045 182 20 H 1S -0.17110 -0.02845 0.43206 0.09522 -0.18406 183 2S -0.39362 -0.05040 1.03405 0.11865 -0.61097 184 21 H 1S 0.23786 -0.08099 -0.11430 -0.00578 -0.42611 185 2S 0.33098 -0.11501 -0.22514 0.10766 -0.87018 186 22 O 1S -0.00581 -0.00806 -0.01016 0.01636 -0.00370 187 2S -0.07348 0.01028 -0.28188 0.20817 0.15485 188 2PX 0.04459 -0.05237 -0.02773 0.03905 -0.06169 189 2PY 0.00331 -0.04207 0.09719 -0.01512 -0.13534 190 2PZ -0.03427 0.02932 -0.07475 0.01732 0.04157 191 3S 0.35550 0.27179 0.53648 -0.79466 0.08144 192 3PX -0.07620 -0.00817 0.03096 -0.06675 0.00287 193 3PY -0.04284 -0.00077 -0.39655 0.19204 0.26767 194 3PZ 0.01426 -0.10728 0.13446 -0.08408 -0.16232 195 4XX -0.09950 0.01894 -0.04144 0.05465 0.07151 196 4YY -0.06465 0.01723 -0.07841 0.06675 0.05060 197 4ZZ 0.09927 -0.06453 -0.05088 0.04639 -0.05643 198 4XY 0.09063 -0.03837 0.01872 0.04675 -0.09241 199 4XZ -0.01743 0.09136 0.07628 -0.13475 0.06648 200 4YZ -0.06998 -0.00432 -0.03190 0.04770 0.00799 201 23 O 1S 0.00583 -0.00806 0.01014 0.01640 0.00362 202 2S 0.07390 0.01035 0.28163 0.20815 -0.15583 203 2PX -0.04461 -0.05240 0.02770 0.03927 0.06165 204 2PY 0.00344 0.04206 0.09717 0.01480 -0.13541 205 2PZ 0.03426 0.02931 0.07475 0.01728 -0.04160 206 3S -0.35672 0.27151 -0.53553 -0.79609 -0.07772 207 3PX 0.07618 -0.00814 -0.03089 -0.06668 -0.00284 208 3PY -0.04329 0.00074 -0.39632 -0.19181 0.26859 209 3PZ -0.01440 -0.10730 -0.13440 -0.08366 0.16260 210 4XX 0.09957 0.01894 0.04139 0.05455 -0.07174 211 4YY 0.06480 0.01727 0.07833 0.06673 -0.05094 212 4ZZ -0.09919 -0.06452 0.05078 0.04660 0.05624 213 4XY 0.09064 0.03838 0.01877 -0.04702 -0.09236 214 4XZ 0.01747 0.09138 -0.07609 -0.13509 -0.06599 215 4YZ -0.06989 0.00432 -0.03187 -0.04778 0.00810 146 147 148 149 150 V V V V V Eigenvalues -- 1.70180 1.77130 1.77521 1.79455 1.83237 1 1 C 1S 0.02271 -0.00263 0.00000 -0.00759 0.00000 2 2S 0.25693 0.03854 0.00004 -0.51733 -0.00007 3 2PX 0.04741 -0.03809 -0.00006 -0.11449 0.00001 4 2PY 0.00000 -0.00001 -0.01405 0.00003 -0.03362 5 2PZ -0.00728 0.05712 0.00006 -0.09265 -0.00003 6 3S -0.49679 -0.42725 -0.00057 1.21748 0.00031 7 3PX -0.23553 0.05703 0.00014 -0.08100 0.00002 8 3PY -0.00008 -0.00048 0.20919 -0.00003 -0.01106 9 3PZ 0.10479 -0.55533 -0.00078 1.00420 0.00018 10 4XX 0.01643 -0.04376 -0.00011 0.16562 0.00002 11 4YY -0.03249 0.03033 0.00003 -0.00332 -0.00002 12 4ZZ 0.03326 0.02587 0.00009 -0.14196 0.00001 13 4XY -0.00005 -0.00003 0.01416 0.00000 0.02849 14 4XZ 0.07386 -0.20909 -0.00030 0.18649 0.00008 15 4YZ 0.00000 -0.00049 0.23155 0.00004 -0.00004 16 2 H 1S 0.03626 0.02407 0.00009 -0.25998 -0.00002 17 2S -0.04309 0.16980 0.00026 -0.24463 -0.00006 18 3 H 1S 0.09627 -0.12367 -0.00021 0.26741 0.00001 19 2S 0.05893 -0.17724 -0.00025 0.18838 0.00003 20 4 C 1S -0.00895 -0.00844 0.03159 0.00766 -0.00500 21 2S -0.13071 -0.11411 0.26989 -0.08431 -0.07910 22 2PX -0.04271 -0.02974 0.05325 -0.02318 -0.00203 23 2PY -0.06134 0.00972 -0.02932 0.05159 0.01842 24 2PZ 0.00752 0.00669 0.00773 -0.01131 0.00529 25 3S 0.48987 0.57378 -0.66769 -0.65564 0.37015 26 3PX 0.08204 0.07515 -0.18252 0.21684 0.03446 27 3PY 0.32344 -0.41443 0.47544 0.40560 -0.21175 28 3PZ -0.10521 0.19205 0.00089 -0.28392 0.17653 29 4XX -0.02696 0.09131 -0.08722 -0.20782 -0.01603 30 4YY 0.02679 -0.06120 0.05765 0.01802 -0.02178 31 4ZZ 0.00385 -0.01243 0.03777 0.16604 0.02297 32 4XY 0.01234 0.06504 0.14754 -0.17391 0.03657 33 4XZ -0.00236 -0.06201 0.02254 0.07700 0.03034 34 4YZ 0.02954 -0.10384 0.02578 0.29172 -0.01896 35 5 H 1S -0.12952 0.05125 -0.04322 0.00033 0.01573 36 2S -0.19691 0.13859 -0.09657 -0.09009 0.07403 37 6 C 1S -0.00294 0.00373 0.00803 -0.00128 0.00324 38 2S 0.00048 0.07149 0.21897 -0.17651 0.08468 39 2PX 0.01556 0.02829 -0.01718 -0.03643 0.01642 40 2PY 0.04811 -0.05258 -0.04842 0.12518 0.00638 41 2PZ -0.00242 0.04434 -0.06878 -0.05499 0.00608 42 3S -0.10756 -0.30922 -0.34692 0.25146 -0.52425 43 3PX -0.06754 0.02648 0.07235 -0.11510 0.02576 44 3PY -0.23396 0.12472 0.26282 -0.29671 0.07593 45 3PZ -0.08203 0.23080 0.17562 -0.31384 0.24820 46 4XX -0.06421 0.06909 -0.02496 -0.16983 -0.04721 47 4YY 0.02541 -0.06666 0.03760 0.19924 -0.00678 48 4ZZ 0.02129 0.01731 -0.00285 -0.08845 0.02897 49 4XY 0.00009 0.04720 -0.01926 -0.14298 0.00235 50 4XZ -0.03903 0.06701 0.05225 -0.02851 -0.00279 51 4YZ 0.03222 0.05933 -0.03778 -0.21901 -0.01014 52 7 H 1S 0.05450 -0.10030 -0.05063 0.26706 -0.00771 53 2S 0.07770 -0.04609 -0.04217 0.09212 -0.03474 54 8 C 1S -0.00895 -0.00829 -0.03162 0.00765 0.00501 55 2S -0.13067 -0.11283 -0.27017 -0.08441 0.07923 56 2PX -0.04272 -0.02954 -0.05332 -0.02315 0.00203 57 2PY 0.06132 -0.00959 -0.02941 -0.05162 0.01841 58 2PZ 0.00747 0.00669 -0.00774 -0.01131 -0.00531 59 3S 0.48925 0.56997 0.66917 -0.65488 -0.37071 60 3PX 0.08202 0.07432 0.18264 0.21695 -0.03451 61 3PY -0.32379 0.41193 0.47658 -0.40502 -0.21199 62 3PZ -0.10522 0.19184 -0.00037 -0.28371 -0.17658 63 4XX -0.02694 0.09100 0.08736 -0.20790 0.01595 64 4YY 0.02682 -0.06095 -0.05771 0.01808 0.02185 65 4ZZ 0.00379 -0.01232 -0.03782 0.16604 -0.02298 66 4XY -0.01230 -0.06558 0.14733 0.17379 0.03661 67 4XZ -0.00223 -0.06196 -0.02264 0.07711 -0.03029 68 4YZ -0.02961 0.10372 0.02612 -0.29173 -0.01902 69 9 H 1S -0.12956 0.05106 0.04322 0.00035 -0.01579 70 2S -0.19696 0.13806 0.09704 -0.08989 -0.07403 71 10 C 1S -0.00295 0.00375 -0.00803 -0.00127 -0.00324 72 2S 0.00030 0.07218 -0.21885 -0.17636 -0.08472 73 2PX 0.01555 0.02820 0.01727 -0.03640 -0.01646 74 2PY -0.04809 0.05276 -0.04831 -0.12517 0.00634 75 2PZ -0.00239 0.04404 0.06894 -0.05498 -0.00611 76 3S -0.10632 -0.30910 0.34629 0.25029 0.52442 77 3PX -0.06776 0.02661 -0.07232 -0.11499 -0.02573 78 3PY 0.23465 -0.12531 0.26247 0.29635 0.07603 79 3PZ -0.08272 0.23087 -0.17501 -0.31329 -0.24833 80 4XX -0.06427 0.06904 0.02507 -0.16991 0.04712 81 4YY 0.02542 -0.06652 -0.03778 0.19925 0.00683 82 4ZZ 0.02133 0.01728 0.00296 -0.08840 -0.02894 83 4XY -0.00013 -0.04711 -0.01940 0.14289 0.00238 84 4XZ -0.03916 0.06723 -0.05198 -0.02853 0.00271 85 4YZ -0.03223 -0.05920 -0.03804 0.21908 -0.01010 86 11 H 1S 0.05463 -0.10047 0.05023 0.26703 0.00775 87 2S 0.07794 -0.04612 0.04205 0.09199 0.03476 88 12 C 1S -0.00832 0.01536 0.02833 0.00804 0.00147 89 2S 0.11201 0.17846 0.55147 0.01673 -0.07736 90 2PX 0.14790 -0.02490 0.08800 -0.01933 -0.06904 91 2PY -0.17928 0.01190 0.07701 0.02668 -0.01564 92 2PZ 0.10979 -0.00633 0.14014 0.02806 0.00284 93 3S 0.45222 -0.54951 -0.64245 -0.37454 0.14055 94 3PX -0.05429 0.01000 0.17456 -0.08061 0.26007 95 3PY 0.05430 0.10910 -0.13727 0.10886 0.12867 96 3PZ -0.09664 -0.03794 -0.21276 -0.07778 0.25311 97 4XX -0.10045 -0.09974 -0.01448 -0.12396 0.16973 98 4YY 0.12324 -0.00114 0.02939 0.07743 -0.02753 99 4ZZ -0.04179 0.11604 0.01492 0.00691 -0.12975 100 4XY 0.01923 0.06107 -0.04572 -0.01297 0.00892 101 4XZ -0.12861 0.00686 0.01091 0.02360 0.03363 102 4YZ 0.14114 -0.08215 0.00829 -0.15169 0.06656 103 13 C 1S 0.00580 -0.00433 0.02333 0.00270 0.00609 104 2S -0.04508 -0.03650 0.51317 -0.18977 0.17533 105 2PX -0.21222 -0.00303 -0.07287 0.06930 0.02729 106 2PY -0.04493 -0.01778 0.17616 -0.01059 0.00572 107 2PZ -0.19467 0.01023 -0.00221 -0.01104 0.04950 108 3S 0.30270 0.06674 0.27081 0.59231 -0.83786 109 3PX 0.87337 -0.22430 0.16178 -0.16752 -0.24593 110 3PY -0.29813 0.13379 -2.77554 0.07940 -0.05916 111 3PZ 0.75850 -0.12073 -0.29404 -0.18772 -0.38085 112 4XX -0.08583 -0.11084 -0.06036 -0.01570 -0.02382 113 4YY 0.02035 -0.01120 0.06289 -0.02773 0.03629 114 4ZZ 0.05060 0.11458 -0.06868 0.06466 -0.02191 115 4XY 0.18919 -0.04169 -0.03129 0.01024 -0.04798 116 4XZ 0.06696 0.04219 -0.02895 0.06081 -0.07862 117 4YZ 0.22401 0.01737 0.07017 -0.06699 -0.07680 118 14 C 1S 0.00896 -0.00155 -0.00864 0.00024 -0.00599 119 2S -0.22567 -0.06063 -0.15938 -0.01817 0.10266 120 2PX 0.09791 0.02689 0.01570 -0.00108 -0.02857 121 2PY 0.15488 -0.00265 0.11059 -0.00340 -0.01345 122 2PZ 0.08438 0.01642 0.03109 -0.00455 -0.10202 123 3S -0.42604 0.15457 2.00401 0.00931 0.00249 124 3PX -0.16495 0.01504 -0.91351 0.02592 -0.11120 125 3PY 0.21155 -0.06548 0.78017 -0.01968 -0.50813 126 3PZ -0.10180 -0.07070 -0.99020 0.04036 0.02511 127 4XX 0.06428 -0.15938 -0.02773 0.00321 0.17476 128 4YY -0.12047 0.00205 -0.01114 0.04794 0.01939 129 4ZZ 0.06241 0.15838 0.04747 -0.07162 -0.18231 130 4XY 0.14776 -0.08573 0.01939 0.01401 -0.00550 131 4XZ 0.20796 0.00779 -0.01716 0.01311 -0.00930 132 4YZ 0.20732 0.07012 -0.01401 0.02161 -0.02541 133 15 C 1S 0.00895 -0.00158 0.00864 0.00023 0.00599 134 2S -0.22568 -0.06121 0.15923 -0.01821 -0.10260 135 2PX 0.09791 0.02696 -0.01564 -0.00109 0.02855 136 2PY -0.15484 0.00224 0.11062 0.00336 -0.01343 137 2PZ 0.08436 0.01652 -0.03104 -0.00455 0.10202 138 3S -0.42579 0.16174 -2.00337 0.01007 -0.00275 139 3PX -0.16498 0.01169 0.91357 0.02555 0.11144 140 3PY -0.21146 0.06289 0.78067 0.01970 -0.50818 141 3PZ -0.10186 -0.07436 0.99001 0.03997 -0.02504 142 4XX 0.06431 -0.15948 0.02710 0.00322 -0.17495 143 4YY -0.12050 0.00203 0.01120 0.04794 -0.01935 144 4ZZ 0.06242 0.15853 -0.04690 -0.07162 0.18243 145 4XY -0.14773 0.08563 0.01977 -0.01401 -0.00543 146 4XZ 0.20798 0.00771 0.01714 0.01310 0.00923 147 4YZ -0.20728 -0.07006 -0.01423 -0.02162 -0.02540 148 16 C 1S 0.00580 -0.00425 -0.02335 0.00271 -0.00610 149 2S -0.04511 -0.03474 -0.51332 -0.18959 -0.17532 150 2PX -0.21218 -0.00326 0.07289 0.06931 -0.02731 151 2PY 0.04494 0.01716 0.17621 0.01055 0.00568 152 2PZ -0.19465 0.01024 0.00229 -0.01100 -0.04949 153 3S 0.30208 0.06831 -0.27082 0.59205 0.83787 154 3PX 0.87323 -0.22413 -0.16255 -0.16770 0.24597 155 3PY 0.29814 -0.12395 -2.77654 -0.07858 -0.05943 156 3PZ 0.75829 -0.12211 0.29348 -0.18812 0.38111 157 4XX -0.08584 -0.11105 0.05999 -0.01572 0.02381 158 4YY 0.02033 -0.01096 -0.06298 -0.02773 -0.03631 159 4ZZ 0.05064 0.11432 0.06914 0.06464 0.02196 160 4XY -0.18919 0.04183 -0.03109 -0.01023 -0.04792 161 4XZ 0.06700 0.04210 0.02904 0.06080 0.07857 162 4YZ -0.22394 -0.01760 0.07016 0.06700 -0.07680 163 17 C 1S -0.00831 0.01548 -0.02827 0.00804 -0.00148 164 2S 0.11199 0.18071 -0.55093 0.01674 0.07722 165 2PX 0.14784 -0.02464 -0.08806 -0.01932 0.06904 166 2PY 0.17932 -0.01218 0.07686 -0.02668 -0.01566 167 2PZ 0.10970 -0.00581 -0.14018 0.02810 -0.00287 168 3S 0.45201 -0.55318 0.64042 -0.37400 -0.14008 169 3PX -0.05402 0.01060 -0.17464 -0.08058 -0.26022 170 3PY -0.05439 -0.10860 -0.13748 -0.10941 0.12893 171 3PZ -0.09597 -0.03908 0.21254 -0.07775 -0.25328 172 4XX -0.10043 -0.09980 0.01421 -0.12393 -0.16975 173 4YY 0.12321 -0.00102 -0.02946 0.07745 0.02756 174 4ZZ -0.04175 0.11607 -0.01449 0.00687 0.12973 175 4XY -0.01925 -0.06086 -0.04595 0.01295 0.00886 176 4XZ -0.12860 0.00695 -0.01093 0.02360 -0.03360 177 4YZ -0.14117 0.08209 0.00869 0.15171 0.06637 178 18 H 1S -0.05966 0.05918 0.03917 0.11909 0.05729 179 2S -0.05564 0.07716 -0.06456 -0.05214 0.10350 180 19 H 1S 0.15885 -0.02159 0.15710 0.01969 -0.04969 181 2S 0.06274 -0.00299 0.34089 -0.03155 -0.08024 182 20 H 1S 0.15883 -0.02101 -0.15723 0.01973 0.04967 183 2S 0.06273 -0.00176 -0.34096 -0.03147 0.08021 184 21 H 1S -0.05950 0.05935 -0.03893 0.11912 -0.05751 185 2S -0.05533 0.07697 0.06469 -0.05210 -0.10367 186 22 O 1S 0.00763 -0.00236 -0.05479 0.00075 0.00343 187 2S 0.14742 -0.06717 -1.00710 0.13740 0.10654 188 2PX 0.12472 0.00021 0.02313 -0.02361 0.01258 189 2PY -0.01688 0.01945 0.08091 -0.07154 -0.04659 190 2PZ 0.13416 0.01682 -0.02451 -0.02269 0.04140 191 3S -0.53925 0.18407 3.58290 -0.28702 -0.31176 192 3PX -0.27274 0.02176 -0.18094 0.06726 -0.03973 193 3PY 0.16756 -0.06376 -0.97770 0.13596 0.12484 194 3PZ -0.30808 0.00375 0.09116 0.04707 -0.11212 195 4XX 0.03940 -0.48729 -0.11557 -0.15011 -0.47530 196 4YY 0.03410 -0.02255 -0.36448 0.01403 0.01648 197 4ZZ 0.01504 0.47299 -0.12020 0.19989 0.52371 198 4XY 0.12965 0.06450 -0.01973 0.07676 0.14167 199 4XZ 0.02336 0.06465 0.25414 0.02473 0.17005 200 4YZ 0.11750 0.08931 -0.11320 -0.06626 0.09255 201 23 O 1S 0.00764 -0.00256 0.05477 0.00074 -0.00343 202 2S 0.14757 -0.07086 1.00669 0.13718 -0.10657 203 2PX 0.12471 0.00032 -0.02317 -0.02361 -0.01262 204 2PY 0.01693 -0.01975 0.08085 0.07152 -0.04658 205 2PZ 0.13419 0.01675 0.02456 -0.02268 -0.04139 206 3S -0.53969 0.19715 -3.58152 -0.28619 0.31203 207 3PX -0.27273 0.02100 0.18116 0.06721 0.03975 208 3PY -0.16773 0.06736 -0.97725 -0.13575 0.12490 209 3PZ -0.30816 0.00402 -0.09110 0.04704 0.11209 210 4XX 0.03948 -0.48779 0.11363 -0.15017 0.47509 211 4YY 0.03415 -0.02389 0.36434 0.01393 -0.01644 212 4ZZ 0.01501 0.47263 0.12203 0.19992 -0.52358 213 4XY -0.12964 -0.06451 -0.01999 -0.07679 0.14176 214 4XZ 0.02336 0.06560 -0.25391 0.02483 -0.17013 215 4YZ -0.11754 -0.08892 -0.11356 0.06627 0.09246 151 152 153 154 155 V V V V V Eigenvalues -- 1.84514 1.84711 1.85948 1.89009 1.90250 1 1 C 1S -0.00316 0.00003 0.00000 0.02015 0.01138 2 2S -0.16217 0.00139 0.00004 -0.14753 0.08683 3 2PX 0.07319 -0.00050 -0.00002 -0.09928 0.04960 4 2PY -0.00157 -0.22894 0.10724 -0.00017 0.00020 5 2PZ -0.09281 0.00070 0.00002 -0.07964 0.00580 6 3S 1.12086 -0.00881 -0.00036 -0.48421 0.21260 7 3PX 0.23890 -0.00183 -0.00020 -0.12410 0.39697 8 3PY 0.00222 0.28599 0.00419 -0.00004 0.00004 9 3PZ 0.49282 -0.00387 0.00000 -0.09391 -0.29016 10 4XX -0.04784 0.00029 0.00006 -0.08359 -0.22793 11 4YY -0.00958 0.00009 -0.00003 0.10783 0.14275 12 4ZZ 0.04731 -0.00032 -0.00003 -0.00728 0.08674 13 4XY 0.00131 0.18847 -0.06684 0.00010 -0.00018 14 4XZ 0.29667 -0.00227 -0.00006 -0.04476 0.08289 15 4YZ 0.00258 0.34040 -0.03812 0.00007 -0.00009 16 2 H 1S 0.09078 -0.00060 -0.00007 0.06597 0.28633 17 2S -0.19904 0.00153 0.00000 0.01979 0.05328 18 3 H 1S -0.02755 0.00019 0.00006 0.05513 -0.16287 19 2S 0.11951 -0.00090 0.00002 -0.08224 -0.06310 20 4 C 1S 0.02197 0.01644 0.00264 -0.02336 0.01711 21 2S 0.27351 -0.21016 0.06559 -0.21867 0.20592 22 2PX 0.04066 0.02536 -0.03468 -0.01697 0.03434 23 2PY 0.01745 0.08657 -0.06779 -0.03820 0.03718 24 2PZ -0.07374 0.08351 -0.04039 0.13306 -0.09730 25 3S -1.23468 0.07588 -0.34380 0.85395 -0.89553 26 3PX -0.26419 0.00576 0.07062 0.20462 -0.37283 27 3PY 0.57488 -0.14500 0.64016 -0.28511 0.25524 28 3PZ 0.07496 -0.04390 -0.10762 -0.06452 0.15763 29 4XX -0.14553 -0.02411 0.02219 0.05231 -0.16547 30 4YY 0.12563 0.07934 -0.03025 0.00875 0.12154 31 4ZZ -0.02218 -0.01627 0.01249 -0.02036 0.00278 32 4XY 0.03472 0.16317 -0.01165 0.09136 0.13717 33 4XZ 0.14528 0.07161 -0.01579 -0.02319 0.18212 34 4YZ 0.01792 0.23836 -0.05749 0.13307 -0.16021 35 5 H 1S -0.08228 0.07827 -0.09981 0.01411 -0.07156 36 2S -0.07474 0.00016 -0.20914 0.05411 0.00404 37 6 C 1S -0.00970 -0.00699 -0.00300 0.00681 -0.02177 38 2S -0.13436 0.14785 -0.05426 -0.07753 -0.22730 39 2PX -0.05497 -0.04418 0.03597 -0.01543 0.02869 40 2PY 0.06295 -0.11701 0.03418 0.05204 0.02302 41 2PZ -0.02972 -0.09596 0.00970 0.04371 0.09559 42 3S 0.45428 -0.20360 0.77279 -0.25690 0.61122 43 3PX 0.05341 0.04028 -0.22523 0.05082 0.00877 44 3PY -0.14335 0.09059 -0.50350 -0.07102 0.06091 45 3PZ -0.32671 0.11505 -0.36044 0.21446 -0.30791 46 4XX -0.16591 0.00697 -0.02662 0.03986 -0.25851 47 4YY 0.04078 0.09432 -0.02282 0.15515 0.01289 48 4ZZ 0.10628 -0.07384 0.04138 -0.17585 0.18415 49 4XY -0.04639 0.02621 -0.00927 0.02371 0.06815 50 4XZ -0.09658 -0.07416 0.01911 -0.04116 0.13317 51 4YZ -0.04661 -0.07088 0.02634 0.13543 0.04664 52 7 H 1S 0.04298 0.09035 0.04909 -0.05874 -0.19389 53 2S 0.06649 -0.06749 0.15658 -0.00460 0.06781 54 8 C 1S 0.02169 -0.01677 -0.00265 -0.02335 0.01710 55 2S 0.27607 0.20610 -0.06579 -0.21804 0.20528 56 2PX 0.04031 -0.02596 0.03465 -0.01699 0.03440 57 2PY -0.01627 0.08683 -0.06778 0.03834 -0.03733 58 2PZ -0.07489 -0.08246 0.04043 0.13294 -0.09717 59 3S -1.23321 -0.05719 0.34460 0.85207 -0.89330 60 3PX -0.26409 -0.00198 -0.07047 0.20449 -0.37274 61 3PY -0.57521 -0.13634 0.64054 0.28378 -0.25342 62 3PZ 0.07635 0.04286 0.10753 -0.06480 0.15831 63 4XX -0.14523 0.02618 -0.02208 0.05237 -0.16545 64 4YY 0.12436 -0.08121 0.03013 0.00878 0.12146 65 4ZZ -0.02183 0.01666 -0.01247 -0.02048 0.00289 66 4XY -0.03242 0.16365 -0.01161 -0.09118 -0.13738 67 4XZ 0.14425 -0.07373 0.01568 -0.02324 0.18215 68 4YZ -0.01434 0.23867 -0.05754 -0.13291 0.16007 69 9 H 1S -0.08322 -0.07707 0.09989 0.01389 -0.07120 70 2S -0.07426 0.00095 0.20918 0.05383 0.00447 71 10 C 1S -0.00957 0.00713 0.00301 0.00680 -0.02175 72 2S -0.13613 -0.14585 0.05442 -0.07784 -0.22684 73 2PX -0.05428 0.04506 -0.03596 -0.01543 0.02865 74 2PY -0.06467 -0.11604 0.03421 -0.05213 -0.02288 75 2PZ -0.02825 0.09645 -0.00974 0.04372 0.09555 76 3S 0.45366 0.19676 -0.77320 -0.25462 0.60767 77 3PX 0.05325 -0.04114 0.22525 0.05061 0.00937 78 3PY 0.14354 0.08850 -0.50351 0.07174 -0.06230 79 3PZ -0.32682 -0.11023 0.36060 0.21348 -0.30631 80 4XX -0.16612 -0.00453 0.02678 0.03992 -0.25857 81 4YY 0.03938 -0.09497 0.02279 0.15510 0.01297 82 4ZZ 0.10742 0.07233 -0.04150 -0.17585 0.18411 83 4XY 0.04675 0.02551 -0.00923 -0.02371 -0.06822 84 4XZ -0.09553 0.07569 -0.01912 -0.04108 0.13308 85 4YZ 0.04559 -0.07159 0.02641 -0.13550 -0.04651 86 11 H 1S 0.04156 -0.09102 -0.04898 -0.05880 -0.19394 87 2S 0.06710 0.06656 -0.15660 -0.00431 0.06731 88 12 C 1S -0.04226 0.02010 0.01182 0.03120 -0.01829 89 2S -0.45017 0.08817 -0.17167 0.44525 -0.29167 90 2PX 0.07460 -0.12826 -0.06258 0.02007 0.09251 91 2PY 0.00223 0.04778 0.07262 0.00393 0.06784 92 2PZ -0.03246 -0.07310 -0.09503 0.08682 0.01095 93 3S 1.82738 -1.18816 -0.74394 -1.57520 1.12384 94 3PX -0.05814 -0.52729 -0.11662 -0.39916 -0.14515 95 3PY -0.73487 0.55836 -0.31328 0.01248 -0.49778 96 3PZ 0.00384 -0.51542 -0.18476 -0.66077 0.35314 97 4XX 0.08601 0.00321 0.01551 -0.15188 -0.00488 98 4YY -0.02143 -0.02508 -0.03411 0.16055 -0.13242 99 4ZZ -0.04440 -0.02718 0.03335 -0.03930 0.20499 100 4XY 0.03315 -0.02476 0.03078 -0.09396 0.02825 101 4XZ 0.00061 0.19840 0.10790 -0.24357 -0.18135 102 4YZ 0.25730 -0.04889 -0.05320 -0.03118 -0.23097 103 13 C 1S 0.00392 -0.01547 0.01200 -0.00936 0.01572 104 2S 0.24628 -0.33996 0.24019 -0.03981 0.08239 105 2PX -0.06984 0.06924 0.07435 0.01046 0.02459 106 2PY 0.07616 -0.05212 0.04525 0.01706 0.00953 107 2PZ 0.01193 0.05169 0.08813 0.05933 -0.02724 108 3S -0.97859 1.81448 -1.34816 -0.74576 -0.80231 109 3PX 0.50541 -0.83056 -1.05746 -0.83092 0.60126 110 3PY 0.24238 0.07364 0.28371 2.45105 0.15830 111 3PZ 0.78847 -0.79317 -0.94402 -0.42472 0.13249 112 4XX -0.00616 0.03133 0.11711 0.11199 0.00631 113 4YY -0.01201 0.00278 -0.03405 -0.14079 -0.01746 114 4ZZ 0.02882 -0.02649 -0.08160 0.08195 0.03712 115 4XY -0.03395 -0.17111 -0.18843 0.09203 0.13181 116 4XZ -0.21079 0.16020 -0.16274 -0.08438 -0.07296 117 4YZ 0.07225 -0.13075 -0.22986 -0.02085 -0.09244 118 14 C 1S 0.00186 -0.00445 -0.01769 -0.00209 0.00398 119 2S 0.14244 0.16778 0.13107 0.00001 0.06721 120 2PX -0.04375 -0.04897 -0.15136 0.07934 -0.05769 121 2PY -0.00439 -0.00074 -0.06677 0.09809 0.00633 122 2PZ -0.00535 -0.05477 -0.13107 0.07324 -0.01922 123 3S -0.48178 -0.03339 0.46424 0.51306 -0.22554 124 3PX 0.24693 0.09369 -0.27468 0.35224 -0.02282 125 3PY 0.12502 -0.06452 -0.78987 -0.99111 0.04479 126 3PZ 0.10423 0.08137 -0.48674 0.34378 0.08934 127 4XX -0.21355 -0.00387 -0.03584 0.03400 0.16072 128 4YY -0.00271 0.04443 0.03687 0.01953 0.00501 129 4ZZ 0.21601 -0.05536 0.03476 -0.03381 -0.16776 130 4XY -0.13072 -0.01078 -0.09418 -0.16883 0.13135 131 4XZ -0.10710 -0.04354 -0.21503 0.11951 -0.04685 132 4YZ -0.04171 0.01593 -0.02093 -0.12305 0.00705 133 15 C 1S 0.00193 0.00442 0.01769 -0.00209 0.00397 134 2S 0.13978 -0.16994 -0.13118 -0.00014 0.06697 135 2PX -0.04298 0.04958 0.15138 0.07939 -0.05764 136 2PY 0.00433 -0.00079 -0.06675 -0.09810 -0.00638 137 2PZ -0.00453 0.05482 0.13106 0.07328 -0.01916 138 3S -0.48020 0.04040 -0.46410 0.51392 -0.22342 139 3PX 0.24498 -0.09763 0.27463 0.35182 -0.02343 140 3PY -0.12606 -0.06306 -0.78992 0.99056 -0.04604 141 3PZ 0.10257 -0.08314 0.48659 0.34350 0.08875 142 4XX -0.21337 0.00716 0.03582 0.03395 0.16075 143 4YY -0.00335 -0.04443 -0.03691 0.01956 0.00498 144 4ZZ 0.21671 0.05209 -0.03470 -0.03378 -0.16776 145 4XY 0.13047 -0.01292 -0.09423 0.16881 -0.13134 146 4XZ -0.10640 0.04507 0.21501 0.11951 -0.04672 147 4YZ 0.04194 0.01517 -0.02102 0.12308 -0.00709 148 16 C 1S 0.00417 0.01543 -0.01200 -0.00936 0.01573 149 2S 0.25184 0.33615 -0.24031 -0.03977 0.08255 150 2PX -0.07093 -0.06816 -0.07437 0.01047 0.02457 151 2PY -0.07706 -0.05093 0.04528 -0.01707 -0.00954 152 2PZ 0.01113 -0.05193 -0.08815 0.05930 -0.02726 153 3S -1.00719 -1.79922 1.34859 -0.74571 -0.80271 154 3PX 0.51826 0.82322 1.05714 -0.83037 0.60183 155 3PY -0.24003 0.07847 0.28422 -2.45024 -0.15605 156 3PZ 0.80024 0.78138 0.94396 -0.42457 0.13263 157 4XX -0.00675 -0.03121 -0.11703 0.11197 0.00623 158 4YY -0.01202 -0.00260 0.03399 -0.14077 -0.01741 159 4ZZ 0.02927 0.02604 0.08159 0.08194 0.03707 160 4XY 0.03129 -0.17163 -0.18838 -0.09203 -0.13185 161 4XZ -0.21323 -0.15694 0.16289 -0.08438 -0.07282 162 4YZ -0.07427 -0.12967 -0.22990 0.02078 0.09232 163 17 C 1S -0.04256 -0.01946 -0.01180 0.03121 -0.01831 164 2S -0.45146 -0.08150 0.17178 0.44541 -0.29198 165 2PX 0.07660 0.12715 0.06251 0.02010 0.09256 166 2PY -0.00144 0.04781 0.07267 -0.00393 -0.06780 167 2PZ -0.03127 0.07358 0.09503 0.08682 0.01099 168 3S 1.84632 1.16109 0.74332 -1.57550 1.12694 169 3PX -0.05018 0.52812 0.11681 -0.39873 -0.14467 170 3PY 0.74281 0.54727 -0.31359 -0.01233 0.49628 171 3PZ 0.01218 0.51566 0.18473 -0.66037 0.35395 172 4XX 0.08609 -0.00443 -0.01550 -0.15188 -0.00479 173 4YY -0.02110 0.02527 0.03422 0.16057 -0.13238 174 4ZZ -0.04397 0.02798 -0.03348 -0.03930 0.20494 175 4XY -0.03350 -0.02431 0.03083 0.09397 -0.02830 176 4XZ -0.00253 -0.19838 -0.10781 -0.24358 -0.18141 177 4YZ -0.25802 -0.04487 -0.05320 0.03107 0.23102 178 18 H 1S -0.39382 -0.00560 -0.07288 0.13018 0.02451 179 2S -0.28442 0.00457 -0.12333 -0.12183 -0.12761 180 19 H 1S -0.04581 0.03604 0.03585 -0.42935 0.09868 181 2S -0.02991 -0.01154 -0.00236 -0.27709 -0.01953 182 20 H 1S -0.04633 -0.03505 -0.03572 -0.42929 0.09875 183 2S -0.02963 0.01213 0.00242 -0.27694 -0.01924 184 21 H 1S -0.39357 0.01162 0.07302 0.13030 0.02467 185 2S -0.28440 -0.00022 0.12347 -0.12166 -0.12744 186 22 O 1S -0.01007 -0.00901 0.01219 -0.04690 -0.00442 187 2S -0.12909 -0.18709 0.20545 -0.76892 -0.08275 188 2PX -0.02968 0.09210 0.11505 0.02024 0.06618 189 2PY 0.01150 0.01849 -0.01423 -0.03266 -0.03943 190 2PZ 0.03877 0.07872 0.11902 0.01415 -0.04487 191 3S 0.61621 0.67518 -0.86013 3.11670 0.39051 192 3PX -0.05495 -0.26752 -0.26932 -0.08936 -0.19581 193 3PY -0.18643 -0.23583 0.27245 -0.80554 -0.08742 194 3PZ -0.13622 -0.19752 -0.32407 0.13450 0.07061 195 4XX -0.17598 -0.00815 0.26954 -0.07791 -0.00761 196 4YY 0.02538 -0.04953 0.03187 -0.25616 -0.08241 197 4ZZ 0.05802 -0.04357 -0.18198 -0.08658 0.06526 198 4XY -0.07330 0.08071 0.17874 -0.06310 0.15664 199 4XZ -0.17357 -0.27294 0.30811 -0.14705 -0.11031 200 4YZ 0.15226 0.15059 0.09134 0.01884 -0.08125 201 23 O 1S -0.00994 0.00919 -0.01218 -0.04691 -0.00445 202 2S -0.12640 0.18937 -0.20531 -0.76919 -0.08321 203 2PX -0.03113 -0.09163 -0.11509 0.02022 0.06614 204 2PY -0.01122 0.01867 -0.01422 0.03265 0.03947 205 2PZ 0.03755 -0.07930 -0.11900 0.01412 -0.04492 206 3S 0.60661 -0.68582 0.85958 3.11777 0.39254 207 3PX -0.05082 0.26833 0.26941 -0.08942 -0.19578 208 3PY 0.18295 -0.23897 0.27232 0.80580 0.08786 209 3PZ -0.13317 0.19948 0.32403 0.13460 0.07078 210 4XX -0.17614 0.01081 -0.26951 -0.07801 -0.00758 211 4YY 0.02609 0.04922 -0.03179 -0.25623 -0.08258 212 4ZZ 0.05894 0.04283 0.18196 -0.08655 0.06516 213 4XY 0.07451 0.07947 0.17881 0.06318 -0.15652 214 4XZ -0.16920 0.27556 -0.30808 -0.14704 -0.11043 215 4YZ -0.14997 0.15290 0.09128 -0.01881 0.08128 156 157 158 159 160 V V V V V Eigenvalues -- 1.91037 1.91977 1.92512 1.94244 1.98302 1 1 C 1S 0.01102 0.01711 -0.00004 -0.01871 -0.00008 2 2S 0.14403 0.04675 -0.00021 0.21375 -0.00151 3 2PX -0.01584 -0.01951 -0.00003 0.07099 -0.00009 4 2PY -0.00007 0.00104 0.41000 0.00017 -0.03799 5 2PZ -0.00284 -0.02641 0.00005 0.06603 -0.00013 6 3S -0.87770 -0.46346 0.00103 0.01141 0.00602 7 3PX -0.16885 -0.04738 -0.00008 -0.23209 0.00046 8 3PY -0.00005 0.00084 0.34411 0.00014 -0.08896 9 3PZ -0.48579 -0.05698 0.00058 -0.20063 0.00043 10 4XX -0.06045 -0.09282 0.00022 0.11221 0.00063 11 4YY -0.00085 0.13240 -0.00026 -0.31779 -0.00121 12 4ZZ 0.05302 -0.05499 0.00006 0.20849 0.00096 13 4XY 0.00006 -0.00070 -0.26265 -0.00002 -0.10403 14 4XZ -0.11947 0.08336 -0.00022 -0.11730 -0.00068 15 4YZ -0.00002 -0.00032 -0.12549 -0.00006 -0.20778 16 2 H 1S 0.08130 0.13722 -0.00036 -0.16426 -0.00111 17 2S 0.05095 -0.01153 -0.00001 -0.00327 -0.00016 18 3 H 1S -0.04779 0.10878 -0.00014 -0.18046 -0.00112 19 2S -0.08985 -0.04252 0.00026 -0.04021 -0.00064 20 4 C 1S -0.01804 -0.00873 0.04255 -0.00643 -0.03356 21 2S -0.27872 -0.12479 0.92353 -0.30542 -0.18915 22 2PX -0.04083 0.02591 -0.05660 -0.14780 -0.04524 23 2PY 0.00454 0.02580 -0.22167 0.02646 -0.09118 24 2PZ -0.05692 0.01054 -0.18092 -0.25775 -0.07610 25 3S 0.99303 0.35080 -3.12431 0.40682 0.77455 26 3PX 0.09978 -0.00051 -0.18679 0.22756 0.26650 27 3PY -0.42665 -0.06691 2.21690 0.08491 -0.32869 28 3PZ 0.18847 -0.04702 -0.36087 0.20425 0.32266 29 4XX -0.00637 -0.05278 0.00358 -0.09049 0.04232 30 4YY -0.07546 0.01685 0.09477 -0.09359 -0.22817 31 4ZZ 0.07747 0.03142 -0.11174 0.14509 0.14427 32 4XY 0.04546 0.02090 -0.21350 -0.10066 0.02740 33 4XZ -0.03476 0.07791 -0.06880 -0.02862 0.09544 34 4YZ -0.01742 0.07301 -0.11974 -0.22021 -0.07027 35 5 H 1S 0.03707 -0.02950 -0.31900 -0.09129 0.12078 36 2S 0.08919 -0.00041 -0.46650 -0.04971 0.06245 37 6 C 1S 0.00258 -0.00122 -0.01796 -0.00279 0.00175 38 2S 0.00398 -0.08397 -0.46830 -0.11807 -0.14136 39 2PX 0.04160 0.00031 -0.03357 -0.02602 0.01024 40 2PY 0.00516 0.03560 0.08180 -0.11783 -0.05291 41 2PZ 0.05843 0.04874 0.00047 0.03489 0.14650 42 3S -0.50649 -0.07996 3.62151 -0.05591 -0.32405 43 3PX -0.04665 -0.02912 -0.28750 -0.03370 -0.02407 44 3PY -0.09752 -0.14772 -1.34511 0.01489 -0.11439 45 3PZ 0.10010 -0.07962 -1.55958 -0.22994 0.04789 46 4XX -0.06870 0.00505 0.05696 -0.03908 -0.03206 47 4YY 0.03029 0.00844 -0.04184 -0.21233 -0.01009 48 4ZZ 0.01155 -0.01104 0.06016 0.26741 0.01114 49 4XY -0.00441 -0.03644 -0.03179 -0.06721 0.05338 50 4XZ 0.02801 0.02693 -0.01127 -0.02342 0.02488 51 4YZ -0.06517 0.01716 0.11229 -0.34319 -0.11111 52 7 H 1S 0.03576 0.02331 0.00245 0.21918 0.04066 53 2S 0.09132 0.09447 0.45713 0.00965 0.06395 54 8 C 1S -0.01803 -0.00894 -0.04252 -0.00647 0.03360 55 2S -0.27850 -0.12945 -0.92291 -0.30625 0.19166 56 2PX -0.04085 0.02622 0.05659 -0.14777 0.04483 57 2PY -0.00445 -0.02690 -0.22148 -0.02662 -0.09019 58 2PZ -0.05699 0.01143 0.18120 -0.25767 0.07640 59 3S 0.99201 0.36659 3.12306 0.40933 -0.78078 60 3PX 0.09975 0.00045 0.18695 0.22776 -0.26606 61 3PY 0.42573 0.07804 2.21662 -0.08299 -0.33175 62 3PZ 0.18827 -0.04511 0.36056 0.20461 -0.32172 63 4XX -0.00636 -0.05277 -0.00304 -0.09055 -0.04166 64 4YY -0.07546 0.01636 -0.09491 -0.09373 0.22833 65 4ZZ 0.07746 0.03198 0.11144 0.14530 -0.14500 66 4XY -0.04540 -0.02201 -0.21342 0.10051 0.02702 67 4XZ -0.03479 0.07828 0.06822 -0.02853 -0.09678 68 4YZ 0.01743 -0.07366 -0.11968 0.22013 -0.07017 69 9 H 1S 0.03696 -0.02787 0.31922 -0.09096 -0.12058 70 2S 0.08893 0.00192 0.46644 -0.04930 -0.06280 71 10 C 1S 0.00257 -0.00114 0.01799 -0.00278 -0.00175 72 2S 0.00379 -0.08157 0.46909 -0.11796 0.14108 73 2PX 0.04161 0.00048 0.03358 -0.02601 -0.01065 74 2PY -0.00517 -0.03518 0.08191 0.11793 -0.05337 75 2PZ 0.05845 0.04872 -0.00080 0.03502 -0.14720 76 3S -0.50492 -0.09821 -3.62129 -0.05825 0.32564 77 3PX -0.04692 -0.02771 0.28770 -0.03347 0.02515 78 3PY 0.09818 0.14106 -1.34593 -0.01574 -0.11398 79 3PZ 0.09938 -0.07176 1.56027 -0.22899 -0.04767 80 4XX -0.06870 0.00474 -0.05665 -0.03918 0.03158 81 4YY 0.03027 0.00868 0.04190 -0.21232 0.01132 82 4ZZ 0.01158 -0.01135 -0.06050 0.26746 -0.01191 83 4XY 0.00439 0.03626 -0.03197 0.06722 0.05291 84 4XZ 0.02801 0.02696 0.01120 -0.02346 -0.02678 85 4YZ 0.06515 -0.01655 0.11202 0.34328 -0.11138 86 11 H 1S 0.03580 0.02332 -0.00270 0.21919 -0.04065 87 2S 0.09157 0.09221 -0.45763 0.00935 -0.06448 88 12 C 1S 0.02670 0.01800 0.04818 0.00880 -0.03829 89 2S 0.09053 0.40761 0.24983 0.20678 -0.60782 90 2PX -0.08461 0.02409 -0.03098 -0.00001 0.03296 91 2PY 0.03441 0.04712 0.01895 -0.07169 -0.06258 92 2PZ -0.02885 0.04370 -0.10126 0.05637 -0.08317 93 3S -0.57546 -0.89886 -1.04514 -0.67387 3.62544 94 3PX 0.00788 -0.21852 0.44405 -0.17162 0.60897 95 3PY -0.11225 0.12515 0.50329 0.18721 1.35589 96 3PZ -0.29908 -0.29219 0.49355 -0.24750 1.08593 97 4XX 0.08223 0.14814 0.03166 -0.09432 0.01625 98 4YY 0.10468 -0.14885 -0.03036 0.13792 -0.02392 99 4ZZ -0.16966 0.02445 0.02758 -0.10777 0.05752 100 4XY -0.06800 0.06106 -0.09226 0.02379 0.16695 101 4XZ -0.04482 -0.16965 0.04800 -0.09739 0.21977 102 4YZ 0.00805 0.06730 0.05239 0.01486 0.02599 103 13 C 1S 0.01156 -0.01556 0.00003 -0.00652 -0.00401 104 2S -0.19553 -0.13497 -0.03667 0.15487 0.10018 105 2PX -0.05205 -0.02059 0.04326 -0.03689 0.08091 106 2PY 0.00894 0.02694 0.05500 0.05372 -0.10839 107 2PZ -0.02637 0.02021 0.00330 0.04262 -0.02423 108 3S -0.18279 0.95137 0.62449 -0.42754 -0.45018 109 3PX -0.26640 -0.11305 -0.40160 -0.24801 0.43437 110 3PY 1.27778 0.45924 -1.78976 0.77775 -2.30502 111 3PZ 0.30667 0.08594 -0.62276 -0.31628 -0.07214 112 4XX 0.18801 0.04893 -0.00633 -0.00267 -0.18980 113 4YY -0.29595 -0.04790 -0.00616 -0.03376 0.41325 114 4ZZ 0.20350 0.08232 0.00045 0.03428 -0.30038 115 4XY -0.01360 0.01258 -0.11374 0.05726 -0.09163 116 4XZ 0.07531 -0.09848 0.08799 -0.02655 0.07452 117 4YZ -0.02107 0.01066 -0.07664 -0.00749 0.07759 118 14 C 1S 0.01946 0.01383 -0.01257 0.00023 -0.01466 119 2S -0.02953 0.21542 -0.11517 0.01797 -0.17100 120 2PX -0.02155 0.03247 0.00802 0.05264 -0.03051 121 2PY 0.00951 0.02933 0.00975 0.05949 -0.11445 122 2PZ -0.05145 0.01837 -0.03247 0.03035 -0.03350 123 3S -0.50660 -0.65838 2.07204 0.31808 2.24542 124 3PX 0.12298 0.13762 -0.72354 0.07742 -0.43145 125 3PY 0.07131 0.13902 0.98485 -0.43671 1.15945 126 3PZ 0.05035 0.13563 -0.72979 0.14794 -0.26438 127 4XX -0.12450 0.05349 0.01190 0.10016 0.12610 128 4YY 0.10359 -0.11437 0.02182 -0.06214 -0.03390 129 4ZZ 0.02137 0.09740 -0.01687 -0.00158 -0.07919 130 4XY 0.17111 -0.09864 0.02294 -0.11025 -0.12674 131 4XZ -0.37774 -0.12712 -0.08660 0.06268 0.23005 132 4YZ 0.28158 -0.05354 -0.01604 -0.12370 -0.02946 133 15 C 1S 0.01945 0.01388 0.01249 0.00024 0.01479 134 2S -0.02951 0.21582 0.11385 0.01806 0.17359 135 2PX -0.02159 0.03246 -0.00812 0.05266 0.02977 136 2PY -0.00949 -0.02929 0.00985 -0.05947 -0.11424 137 2PZ -0.05149 0.01855 0.03241 0.03040 0.03308 138 3S -0.50605 -0.66705 -2.06806 0.31601 -2.25538 139 3PX 0.12279 0.14066 0.72270 0.07812 0.43283 140 3PY -0.07132 -0.13488 0.98613 0.43755 1.15584 141 3PZ 0.05009 0.13872 0.72896 0.14871 0.26746 142 4XX -0.12447 0.05344 -0.01231 0.10012 -0.12442 143 4YY 0.10356 -0.11445 -0.02119 -0.06214 0.03416 144 4ZZ 0.02138 0.09745 0.01648 -0.00155 0.07683 145 4XY -0.17112 0.09877 0.02240 0.11029 -0.12763 146 4XZ -0.37778 -0.12667 0.08732 0.06277 -0.23265 147 4YZ -0.28162 0.05344 -0.01647 0.12369 -0.02910 148 16 C 1S 0.01156 -0.01555 0.00005 -0.00652 0.00392 149 2S -0.19552 -0.13457 0.03692 0.15477 -0.09872 150 2PX -0.05202 -0.02082 -0.04310 -0.03691 -0.08161 151 2PY -0.00896 -0.02670 0.05530 -0.05364 -0.10975 152 2PZ -0.02634 0.02017 -0.00338 0.04261 0.02312 153 3S -0.18265 0.94742 -0.62876 -0.42779 0.44975 154 3PX -0.26676 -0.11070 0.40120 -0.24749 -0.42648 155 3PY -1.27756 -0.46687 -1.78839 -0.77953 -2.30937 156 3PZ 0.30619 0.08898 0.62182 -0.31555 0.07685 157 4XX 0.18804 0.04889 0.00623 -0.00264 0.19061 158 4YY -0.29595 -0.04785 0.00628 -0.03375 -0.41367 159 4ZZ 0.20347 0.08232 -0.00084 0.03428 0.30032 160 4XY 0.01376 -0.01314 -0.11360 -0.05737 -0.09242 161 4XZ 0.07530 -0.09886 -0.08733 -0.02663 -0.07546 162 4YZ 0.02116 -0.01107 -0.07664 0.00739 0.07834 163 17 C 1S 0.02671 0.01775 -0.04821 0.00875 0.03809 164 2S 0.09058 0.40617 -0.25138 0.20651 0.60643 165 2PX -0.08464 0.02426 0.03085 0.00000 -0.03335 166 2PY -0.03448 -0.04702 0.01906 0.07170 -0.06190 167 2PZ -0.02890 0.04421 0.10103 0.05644 0.08226 168 3S -0.57614 -0.89201 1.04736 -0.67290 -3.61714 169 3PX 0.00778 -0.22036 -0.44300 -0.17191 -0.60982 170 3PY 0.11226 -0.12329 0.50346 -0.18673 1.35982 171 3PZ -0.29917 -0.29407 -0.49244 -0.24786 -1.08643 172 4XX 0.08224 0.14804 -0.03214 -0.09436 -0.02066 173 4YY 0.10469 -0.14870 0.03104 0.13796 0.02531 174 4ZZ -0.16969 0.02430 -0.02784 -0.10780 -0.05489 175 4XY 0.06800 -0.06149 -0.09182 -0.02389 0.16537 176 4XZ -0.04473 -0.16991 -0.04723 -0.09743 -0.21889 177 4YZ -0.00805 -0.06704 0.05294 -0.01483 0.02299 178 18 H 1S 0.07424 0.04464 0.25779 0.06913 -0.10025 179 2S -0.00268 0.02099 0.37822 -0.00480 0.27646 180 19 H 1S 0.41789 0.01130 0.17346 -0.24113 -0.13916 181 2S -0.04601 0.07577 0.33076 -0.09709 0.17671 182 20 H 1S 0.41793 0.01051 -0.17353 -0.24130 0.14128 183 2S -0.04594 0.07436 -0.33121 -0.09740 -0.17686 184 21 H 1S 0.07424 0.04343 -0.25759 0.06890 0.09549 185 2S -0.00267 0.01926 -0.37820 -0.00512 -0.27677 186 22 O 1S -0.02619 0.00114 -0.03114 -0.01607 -0.03125 187 2S -0.32335 -0.09773 -0.55498 -0.28426 -0.27988 188 2PX -0.06265 -0.00261 0.05438 0.01554 -0.04446 189 2PY -0.15580 -0.00749 0.04871 0.00462 -0.26817 190 2PZ 0.03745 0.02311 0.04699 -0.00210 0.03508 191 3S 1.58165 0.24330 2.17681 1.10367 1.97169 192 3PX 0.02609 0.00094 -0.24955 -0.05607 -0.02485 193 3PY -0.37766 -0.05357 -0.57364 -0.30321 -0.37612 194 3PZ -0.02623 -0.03536 -0.09837 0.07683 0.02949 195 4XX 0.03694 0.05815 -0.14899 -0.01935 0.07079 196 4YY -0.12588 -0.05310 -0.16775 -0.08604 -0.10849 197 4ZZ -0.04965 -0.00348 0.00112 -0.04573 -0.05904 198 4XY -0.10287 0.02573 0.02541 -0.04488 -0.06430 199 4XZ -0.03383 0.57389 -0.25850 0.02532 -0.01589 200 4YZ 0.08948 -0.00158 0.10620 -0.03996 0.07214 201 23 O 1S -0.02620 0.00129 0.03112 -0.01604 0.03117 202 2S -0.32344 -0.09516 0.55521 -0.28377 0.27899 203 2PX -0.06261 -0.00290 -0.05442 0.01549 0.04481 204 2PY 0.15579 0.00776 0.04868 -0.00458 -0.26761 205 2PZ 0.03750 0.02287 -0.04705 -0.00216 -0.03567 206 3S 1.58198 0.23337 -2.17704 1.10174 -1.96713 207 3PX 0.02589 0.00220 0.24975 -0.05586 0.02298 208 3PY 0.37774 0.05089 -0.57363 0.30272 -0.37529 209 3PZ -0.02636 -0.03485 0.09855 0.07697 -0.02891 210 4XX 0.03695 0.05890 0.14869 -0.01923 -0.07111 211 4YY -0.12590 -0.05233 0.16793 -0.08588 0.10765 212 4ZZ -0.04968 -0.00353 -0.00114 -0.04574 0.05983 213 4XY 0.10281 -0.02556 0.02564 0.04493 -0.06566 214 4XZ -0.03385 0.57515 0.25556 0.02553 0.01703 215 4YZ -0.08954 0.00217 0.10608 0.04007 0.07403 161 162 163 164 165 V V V V V Eigenvalues -- 1.98585 2.02453 2.04217 2.05220 2.08270 1 1 C 1S -0.01648 -0.00001 -0.01123 -0.06778 0.00001 2 2S -0.27821 -0.00017 0.04401 -0.72059 0.00019 3 2PX -0.01202 -0.00004 0.03747 -0.05021 0.00004 4 2PY 0.00029 -0.16670 -0.00003 -0.00001 0.02066 5 2PZ -0.01955 -0.00004 0.04922 -0.04353 0.00003 6 3S 1.15656 0.00038 0.41016 2.90451 -0.00050 7 3PX 0.08380 0.00045 -0.03926 0.79490 -0.00032 8 3PY 0.00057 -0.08559 -0.00007 -0.00008 -0.15605 9 3PZ 0.11228 -0.00016 -0.01562 0.65414 -0.00010 10 4XX 0.10755 0.00007 0.02831 0.16193 -0.00009 11 4YY -0.21528 -0.00008 -0.07081 -0.32284 0.00010 12 4ZZ 0.17340 0.00002 0.03831 0.17151 -0.00002 13 4XY 0.00057 0.00554 0.00005 0.00014 0.08665 14 4XZ -0.12371 0.00015 -0.12696 0.07771 -0.00011 15 4YZ 0.00113 -0.27068 -0.00009 -0.00004 0.03002 16 2 H 1S -0.20641 0.00007 -0.10460 -0.24974 -0.00001 17 2S -0.03625 0.00009 -0.01678 -0.00944 -0.00005 18 3 H 1S -0.20002 -0.00013 -0.07171 -0.32349 0.00006 19 2S -0.10850 -0.00005 -0.02981 0.07968 -0.00001 20 4 C 1S 0.00521 -0.04548 0.00295 0.01093 -0.01042 21 2S 0.24048 -0.39303 0.10334 0.31398 -0.15153 22 2PX -0.03228 -0.03851 -0.01757 0.01490 0.03232 23 2PY -0.08849 -0.02489 -0.04120 -0.03857 0.07040 24 2PZ 0.02916 -0.05114 -0.02254 0.00345 0.08037 25 3S -0.60747 1.50529 -0.30587 -1.31345 0.74132 26 3PX 0.04753 0.35814 0.06061 0.10981 0.01681 27 3PY 0.30149 -1.16225 0.22133 0.79241 -0.01039 28 3PZ 0.08066 0.58950 0.02436 0.20413 -0.18731 29 4XX 0.06159 0.10069 -0.02679 0.00753 -0.04033 30 4YY 0.01335 -0.35097 -0.02935 0.02704 0.27072 31 4ZZ -0.06681 0.20115 0.05475 -0.06168 -0.19300 32 4XY 0.01766 0.10884 -0.08115 -0.07842 -0.07453 33 4XZ -0.12355 0.12243 -0.07215 -0.13034 -0.12739 34 4YZ -0.00209 -0.03870 0.01155 0.01973 0.00266 35 5 H 1S 0.01843 0.33760 0.00716 -0.04715 -0.26287 36 2S -0.03891 0.30799 -0.06465 -0.11632 -0.02053 37 6 C 1S -0.00046 0.01119 -0.00726 0.00884 0.00408 38 2S -0.01560 -0.06822 -0.05102 0.17343 0.11878 39 2PX -0.03931 0.02209 0.02728 -0.05978 -0.02184 40 2PY 0.04012 -0.06858 0.02844 -0.00648 0.11886 41 2PZ -0.06589 0.17360 0.02528 -0.13309 -0.10346 42 3S 0.15041 -1.43185 0.10832 -0.02811 -0.31216 43 3PX 0.08983 0.02185 -0.05782 0.08167 0.12050 44 3PY -0.03665 0.28117 -0.11478 -0.12734 -0.00166 45 3PZ 0.01419 0.45572 -0.17152 -0.06465 0.35842 46 4XX -0.02999 -0.00931 -0.08945 0.07645 0.06412 47 4YY 0.09852 -0.02413 0.01162 -0.05925 -0.03008 48 4ZZ -0.06673 -0.00316 0.04684 0.01405 -0.00961 49 4XY 0.03928 0.10929 0.02572 -0.04230 0.00615 50 4XZ -0.17205 0.00234 -0.04379 -0.31069 -0.03833 51 4YZ 0.03015 -0.17957 0.01703 -0.05559 0.16493 52 7 H 1S 0.00117 0.09819 0.00585 0.15485 -0.10464 53 2S -0.04383 -0.09582 0.08223 -0.00818 -0.03385 54 8 C 1S 0.00481 0.04549 0.00297 0.01095 0.01043 55 2S 0.23811 0.39300 0.10363 0.31431 0.15150 56 2PX -0.03277 0.03851 -0.01754 0.01489 -0.03238 57 2PY 0.08940 -0.02491 0.04122 0.03871 0.07042 58 2PZ 0.02836 0.05106 -0.02255 0.00336 -0.08035 59 3S -0.59798 -1.50560 -0.30701 -1.31457 -0.74112 60 3PX 0.05053 -0.35836 0.06049 0.10994 -0.01664 61 3PY -0.29691 -1.16247 -0.22189 -0.79284 -0.01007 62 3PZ 0.08436 -0.58923 0.02404 0.20404 0.18718 63 4XX 0.06199 -0.10070 -0.02683 0.00755 0.04033 64 4YY 0.01069 0.35105 -0.02931 0.02682 -0.27079 65 4ZZ -0.06509 -0.20122 0.05475 -0.06150 0.19308 66 4XY -0.01807 0.10865 0.08122 0.07847 -0.07437 67 4XZ -0.12235 -0.12238 -0.07216 -0.13030 0.12740 68 4YZ 0.00290 -0.03859 -0.01167 -0.01988 0.00257 69 9 H 1S 0.01994 -0.33766 0.00714 -0.04696 0.26297 70 2S -0.03797 -0.30799 -0.06478 -0.11643 0.02061 71 10 C 1S -0.00044 -0.01120 -0.00727 0.00883 -0.00409 72 2S -0.01717 0.06819 -0.05104 0.17339 -0.11901 73 2PX -0.03915 -0.02210 0.02729 -0.05976 0.02183 74 2PY -0.03949 -0.06864 -0.02841 0.00661 0.11881 75 2PZ -0.06417 -0.17368 0.02522 -0.13306 0.10358 76 3S 0.14590 1.43162 0.10942 -0.02740 0.31240 77 3PX 0.08959 -0.02178 -0.05799 0.08145 -0.12056 78 3PY 0.03750 0.28145 0.11508 0.12761 -0.00170 79 3PZ 0.01505 -0.45581 -0.17202 -0.06519 -0.35845 80 4XX -0.03038 0.00913 -0.08944 0.07641 -0.06420 81 4YY 0.09839 0.02428 0.01163 -0.05920 0.03017 82 4ZZ -0.06662 0.00316 0.04682 0.01403 0.00960 83 4XY -0.03991 0.10934 -0.02569 0.04242 0.00607 84 4XZ -0.17170 -0.00252 -0.04380 -0.31073 0.03853 85 4YZ -0.02884 -0.17935 -0.01703 0.05567 0.16482 86 11 H 1S 0.00161 -0.09796 0.00590 0.15502 0.10446 87 2S -0.04322 0.09586 0.08234 -0.00805 0.03387 88 12 C 1S -0.01758 -0.01560 0.00085 -0.00198 -0.01220 89 2S -0.10537 -0.27746 0.22792 0.38494 -0.20720 90 2PX -0.03413 -0.01405 0.01418 -0.05299 0.01772 91 2PY -0.05499 0.11829 0.05222 0.23981 0.13070 92 2PZ -0.08005 -0.06123 0.06311 0.05533 -0.06521 93 3S 0.69853 1.70679 0.24306 0.03436 0.41934 94 3PX -0.07328 -0.13201 0.01382 0.12537 -0.49394 95 3PY -0.35965 0.99994 -0.19518 -0.66593 -0.07082 96 3PZ -0.03165 0.84319 -0.04309 -0.01606 0.06838 97 4XX -0.37973 -0.12881 0.01175 0.15983 -0.22556 98 4YY 0.11089 0.04832 -0.13239 -0.37003 0.10274 99 4ZZ 0.23567 0.10196 0.11219 0.23236 0.14047 100 4XY 0.12454 -0.17252 0.03868 -0.16920 -0.05969 101 4XZ 0.07615 -0.23667 -0.09139 -0.07996 -0.00927 102 4YZ 0.26199 -0.06540 0.00987 -0.13470 -0.12926 103 13 C 1S -0.00804 0.01540 -0.00648 0.01440 -0.00528 104 2S 0.12497 0.11386 0.13405 -0.18109 -0.11373 105 2PX -0.06166 0.03911 0.03747 0.03446 0.04114 106 2PY 0.11505 0.14948 0.14298 -0.19780 -0.01375 107 2PZ -0.09431 -0.00681 0.05919 -0.02292 -0.06961 108 3S -0.04622 -0.39962 0.15221 -0.64516 0.17001 109 3PX 0.65908 0.01152 0.42853 0.02843 0.28600 110 3PY 0.37311 -1.02577 -0.36911 0.89753 0.22387 111 3PZ 0.42021 -0.58199 0.42316 0.27473 -0.29673 112 4XX 0.06859 0.06194 -0.08836 0.00203 0.04379 113 4YY -0.03650 -0.25983 -0.07501 0.05050 -0.00872 114 4ZZ -0.00366 0.18496 0.15420 -0.01284 -0.06760 115 4XY 0.07126 0.04145 0.00018 -0.03208 0.03548 116 4XZ -0.07966 0.06181 0.04845 -0.08479 0.20840 117 4YZ -0.06230 -0.08934 0.00108 0.00052 0.01183 118 14 C 1S 0.01143 -0.00201 -0.01533 0.00407 0.00037 119 2S 0.22099 0.03666 -0.40612 0.07396 -0.12272 120 2PX -0.06443 -0.00276 0.10748 -0.03239 0.06276 121 2PY -0.01874 0.08701 -0.22316 0.07849 0.06697 122 2PZ -0.03685 -0.00643 0.10158 -0.03393 0.06072 123 3S -0.87321 0.84661 -0.17123 -0.13191 0.05827 124 3PX 0.13472 -0.54296 -0.08774 0.11677 -0.31849 125 3PY 0.31481 0.20564 0.67796 -0.28548 -0.06338 126 3PZ 0.26598 -0.41273 -0.09206 0.07711 0.15834 127 4XX 0.13679 0.12089 -0.33438 0.03660 0.32515 128 4YY 0.02863 0.04430 0.44937 -0.10004 0.03573 129 4ZZ -0.20193 -0.16368 -0.24681 0.11036 -0.34774 130 4XY 0.07584 0.04424 -0.15418 0.09936 -0.06165 131 4XZ -0.22538 -0.09730 0.01100 0.02500 0.13061 132 4YZ -0.02962 0.08197 -0.11422 0.14732 0.12871 133 15 C 1S 0.01128 0.00201 -0.01533 0.00407 -0.00036 134 2S 0.21915 -0.03654 -0.40617 0.07406 0.12276 135 2PX -0.06474 0.00271 0.10749 -0.03242 -0.06276 136 2PY 0.02007 0.08696 0.22316 -0.07853 0.06698 137 2PZ -0.03719 0.00642 0.10161 -0.03398 -0.06071 138 3S -0.85033 -0.84700 -0.17171 -0.13118 -0.05870 139 3PX 0.13080 0.54305 -0.08758 0.11632 0.31854 140 3PY -0.32682 0.20571 -0.67778 0.28530 -0.06357 141 3PZ 0.26410 0.41281 -0.09191 0.07661 -0.15822 142 4XX 0.13833 -0.12089 -0.33438 0.03661 -0.32511 143 4YY 0.02820 -0.04438 0.44941 -0.10005 -0.03572 144 4ZZ -0.20291 0.16377 -0.24684 0.11037 0.34766 145 4XY -0.07435 0.04420 0.15405 -0.09941 -0.06165 146 4XZ -0.22255 0.09729 0.01102 0.02478 -0.13068 147 4YZ 0.02994 0.08194 0.11422 -0.14731 0.12878 148 16 C 1S -0.00811 -0.01539 -0.00648 0.01442 0.00528 149 2S 0.12574 -0.11396 0.13403 -0.18080 0.11390 150 2PX -0.06071 -0.03910 0.03745 0.03444 -0.04118 151 2PY -0.11366 0.14958 -0.14294 0.19762 -0.01382 152 2PZ -0.09464 0.00679 0.05916 -0.02288 0.06961 153 3S -0.05022 0.39934 0.15200 -0.64564 -0.17022 154 3PX 0.66415 -0.01113 0.42868 0.02831 -0.28552 155 3PY -0.34934 -1.02608 0.36847 -0.89656 0.22380 156 3PZ 0.41976 0.58247 0.42338 0.27429 0.29714 157 4XX 0.06638 -0.06195 -0.08839 0.00209 -0.04383 158 4YY -0.03166 0.25991 -0.07501 0.05027 0.00875 159 4ZZ -0.00712 -0.18503 0.15424 -0.01268 0.06758 160 4XY -0.07025 0.04140 -0.00023 0.03206 0.03542 161 4XZ -0.07879 -0.06190 0.04847 -0.08491 -0.20845 162 4YZ 0.06135 -0.08937 -0.00110 -0.00043 0.01177 163 17 C 1S -0.01801 0.01558 0.00086 -0.00196 0.01218 164 2S -0.11202 0.27764 0.22805 0.38510 0.20711 165 2PX -0.03379 0.01401 0.01418 -0.05296 -0.01765 166 2PY 0.05574 0.11816 -0.05221 -0.23978 0.13077 167 2PZ -0.08097 0.06129 0.06313 0.05535 0.06522 168 3S 0.73739 -1.70611 0.24228 0.03414 -0.41862 169 3PX -0.06713 0.13210 0.01380 0.12544 0.49387 170 3PY 0.34546 1.00054 0.19571 0.66553 -0.07054 171 3PZ -0.02009 -0.84318 -0.04320 -0.01563 -0.06848 172 4XX -0.37967 0.12897 0.01169 0.15980 0.22544 173 4YY 0.11057 -0.04856 -0.13237 -0.37006 -0.10265 174 4ZZ 0.23645 -0.10187 0.11223 0.23241 -0.14044 175 4XY -0.12641 -0.17250 -0.03861 0.16934 -0.05971 176 4XZ 0.07869 0.23672 -0.09140 -0.08015 0.00945 177 4YZ -0.26231 -0.06528 -0.00988 0.13468 -0.12940 178 18 H 1S -0.41554 0.19690 -0.04298 0.02520 -0.07909 179 2S -0.01784 0.15393 -0.03781 -0.05933 -0.09007 180 19 H 1S 0.18647 0.17662 0.00172 0.03838 -0.01539 181 2S -0.01376 0.14926 0.16423 -0.09441 0.01280 182 20 H 1S 0.18462 -0.17660 0.00170 0.03859 0.01540 183 2S -0.01216 -0.14928 0.16419 -0.09426 -0.01278 184 21 H 1S -0.41684 -0.19699 -0.04297 0.02545 0.07882 185 2S -0.01497 -0.15405 -0.03783 -0.05917 0.09001 186 22 O 1S -0.00612 -0.00746 0.00083 -0.00920 0.00222 187 2S -0.07471 -0.39196 0.15261 -0.30720 -0.02887 188 2PX 0.02587 0.02219 0.03008 0.00784 -0.04477 189 2PY -0.04427 0.21155 -0.07013 0.07159 0.03724 190 2PZ -0.04792 0.02821 0.05949 0.00753 0.05578 191 3S 0.37847 1.02256 -0.41519 1.08943 -0.01861 192 3PX -0.15991 -0.03385 -0.10347 -0.05849 0.13797 193 3PY -0.07011 -0.31328 0.12228 -0.29608 -0.05577 194 3PZ 0.04513 -0.12015 -0.16435 -0.01926 -0.16131 195 4XX -0.03461 -0.05698 0.14259 -0.00141 0.01648 196 4YY -0.06929 -0.07205 0.04308 -0.12003 0.05038 197 4ZZ 0.07147 -0.08258 -0.12864 -0.00499 -0.06757 198 4XY 0.11532 -0.06590 0.22931 0.04700 -0.14063 199 4XZ 0.09544 -0.00942 0.03652 -0.07319 0.23969 200 4YZ -0.15614 0.18716 0.22800 0.07273 0.19925 201 23 O 1S -0.00645 0.00746 0.00084 -0.00921 -0.00222 202 2S -0.07730 0.39184 0.15280 -0.30748 0.02882 203 2PX 0.02529 -0.02219 0.03004 0.00787 0.04479 204 2PY 0.04744 0.21150 0.07014 -0.07174 0.03723 205 2PZ -0.04751 -0.02820 0.05948 0.00753 -0.05577 206 3S 0.39872 -1.02223 -0.41595 1.09024 0.01878 207 3PX -0.15998 0.03381 -0.10335 -0.05859 -0.13809 208 3PY 0.07387 -0.31318 -0.12248 0.29628 -0.05573 209 3PZ 0.04544 0.12007 -0.16434 -0.01930 0.16124 210 4XX -0.03374 0.05699 0.14259 -0.00150 -0.01648 211 4YY -0.07033 0.07200 0.04312 -0.12011 -0.05042 212 4ZZ 0.07088 0.08257 -0.12859 -0.00500 0.06756 213 4XY -0.11451 -0.06594 -0.22928 -0.04697 -0.14069 214 4XZ 0.09542 0.00938 0.03661 -0.07339 -0.23968 215 4YZ 0.15530 0.18711 -0.22798 -0.07277 0.19920 166 167 168 169 170 V V V V V Eigenvalues -- 2.09849 2.10498 2.11475 2.13659 2.20186 1 1 C 1S -0.03573 0.00002 -0.03412 -0.00003 0.03509 2 2S -0.15753 0.00048 -0.57318 -0.00021 -0.25925 3 2PX 0.10132 0.00011 -0.04633 0.00002 -0.23847 4 2PY 0.00001 -0.07976 0.00000 0.01431 -0.00167 5 2PZ 0.04414 0.00007 -0.06589 0.00002 -0.14669 6 3S 1.14916 -0.00121 1.96743 0.00126 -2.04860 7 3PX -0.49448 -0.00075 0.83074 0.00032 0.18791 8 3PY -0.00003 -0.20005 -0.00002 0.04196 -0.00283 9 3PZ 1.32577 -0.00011 0.79535 0.00035 -0.84467 10 4XX 0.20192 -0.00015 0.14087 0.00007 -0.10866 11 4YY 0.24820 0.00031 -0.14261 -0.00013 0.27177 12 4ZZ -0.49886 -0.00021 0.03491 0.00007 -0.09711 13 4XY -0.00017 0.49411 0.00036 -0.10584 0.00065 14 4XZ 0.12137 -0.00012 0.43442 0.00004 0.22083 15 4YZ 0.00015 -0.35487 -0.00017 0.21735 -0.00143 16 2 H 1S -0.40327 -0.00008 -0.00813 -0.00008 0.38290 17 2S -0.32742 -0.00012 0.01621 -0.00002 0.25879 18 3 H 1S 0.55012 0.00026 -0.07820 -0.00009 0.06810 19 2S 0.24440 0.00001 0.13216 0.00003 -0.11460 20 4 C 1S 0.01283 -0.03010 0.01575 0.01124 -0.02423 21 2S 0.00863 -0.50952 0.29989 -0.01909 -1.02153 22 2PX -0.00106 -0.01447 0.09872 -0.00419 -0.06602 23 2PY 0.07046 0.18676 0.01174 0.02805 0.23603 24 2PZ 0.09362 0.05284 0.07431 -0.02587 -0.03961 25 3S -0.45095 1.81573 -1.06560 -0.26939 2.47021 26 3PX 0.39645 -0.02396 -0.13189 -0.04751 0.09127 27 3PY 0.25424 -1.03208 0.73221 0.16970 -1.60141 28 3PZ -0.11795 0.61226 -0.07317 -0.13351 0.51988 29 4XX -0.14928 -0.05710 0.09134 -0.15737 0.20092 30 4YY 0.04097 0.22617 0.08910 0.02661 -0.03099 31 4ZZ 0.09191 -0.14549 -0.22874 0.12752 -0.00926 32 4XY -0.27979 0.21326 0.13975 -0.02289 0.26566 33 4XZ 0.04301 0.08307 0.04523 -0.04872 0.12825 34 4YZ 0.09800 -0.35389 -0.10948 0.05462 -0.02895 35 5 H 1S -0.07266 -0.16339 -0.11874 -0.02118 0.14520 36 2S -0.02769 0.34029 -0.15081 -0.05393 0.40401 37 6 C 1S 0.01311 0.01380 0.01441 -0.00306 0.02628 38 2S 0.34409 0.05622 0.51176 0.08236 0.13792 39 2PX -0.01629 -0.01704 -0.03218 0.05159 -0.00941 40 2PY -0.25083 0.15743 -0.10171 -0.02650 -0.12012 41 2PZ 0.01070 0.07364 -0.22074 -0.00201 0.02529 42 3S -0.02927 -1.91343 -0.05931 0.15570 -1.29611 43 3PX 0.04771 0.38216 0.03496 -0.11450 0.14646 44 3PY 0.44798 0.59731 0.17040 -0.10620 0.24963 45 3PZ 0.22045 0.97945 0.16865 -0.23435 0.68294 46 4XX 0.24855 -0.11675 0.23304 -0.14522 0.20143 47 4YY -0.39176 -0.09902 -0.18166 0.02703 -0.08724 48 4ZZ 0.20487 0.16652 -0.05122 0.08574 -0.02947 49 4XY 0.03434 0.21007 -0.06793 -0.21676 -0.11185 50 4XZ 0.08789 0.01361 -0.14187 0.02273 -0.01646 51 4YZ 0.17889 0.16955 -0.03911 0.00969 -0.25425 52 7 H 1S -0.20626 -0.27373 0.10309 0.03462 0.18558 53 2S -0.11584 -0.20741 -0.13911 0.11670 -0.22141 54 8 C 1S 0.01282 0.03009 0.01576 -0.01122 -0.02338 55 2S 0.00831 0.50924 0.30016 0.01960 -1.01098 56 2PX -0.00106 0.01433 0.09872 0.00425 -0.06639 57 2PY -0.07062 0.18671 -0.01146 0.02809 -0.23644 58 2PZ 0.09369 -0.05286 0.07433 0.02589 -0.04407 59 3S -0.44971 -1.81469 -1.06598 0.26756 2.40624 60 3PX 0.39638 0.02449 -0.13145 0.04744 0.08203 61 3PY -0.25362 -1.03125 -0.73268 0.16871 1.57422 62 3PZ -0.11770 -0.61256 -0.07358 0.13349 0.51205 63 4XX -0.14946 0.05682 0.09160 0.15740 0.19439 64 4YY 0.04141 -0.22613 0.08865 -0.02658 -0.03009 65 4ZZ 0.09170 0.14576 -0.22851 -0.12763 -0.00590 66 4XY 0.27967 0.21373 -0.13944 -0.02276 -0.26531 67 4XZ 0.04302 -0.08296 0.04493 0.04869 0.13545 68 4YZ -0.09779 -0.35416 0.10901 0.05470 0.03158 69 9 H 1S -0.07296 0.16338 -0.11840 0.02111 0.14369 70 2S -0.02747 -0.34005 -0.15110 0.05375 0.39956 71 10 C 1S 0.01312 -0.01382 0.01441 0.00305 0.02555 72 2S 0.34427 -0.05671 0.51205 -0.08226 0.12308 73 2PX -0.01637 0.01705 -0.03219 -0.05161 -0.00858 74 2PY 0.25068 0.15744 0.10198 -0.02652 0.12016 75 2PZ 0.01067 -0.07332 -0.22088 0.00188 0.02934 76 3S -0.03077 1.91370 -0.05930 -0.15515 -1.21396 77 3PX 0.04819 -0.38230 0.03487 0.11452 0.13474 78 3PY -0.44857 0.59725 -0.17036 -0.10618 -0.22292 79 3PZ 0.22125 -0.97956 0.16849 0.23411 0.64137 80 4XX 0.24847 0.11646 0.23316 0.14528 0.19896 81 4YY -0.39180 0.09905 -0.18147 -0.02714 -0.08822 82 4ZZ 0.20497 -0.16625 -0.05148 -0.08573 -0.02586 83 4XY -0.03428 0.20996 0.06840 -0.21673 0.11129 84 4XZ 0.08790 -0.01326 -0.14203 -0.02283 -0.01127 85 4YZ -0.17916 0.16934 0.03927 0.00967 0.25655 86 11 H 1S -0.20652 0.27337 0.10345 -0.03462 0.18660 87 2S -0.11605 0.20755 -0.13914 -0.11670 -0.20984 88 12 C 1S -0.00500 -0.00189 0.00290 0.00660 0.01434 89 2S -0.07720 0.06139 -0.36460 0.40015 0.44315 90 2PX 0.05154 0.01230 -0.03350 0.13723 0.01747 91 2PY 0.02913 -0.03727 -0.17318 -0.12407 0.12851 92 2PZ -0.02679 0.04080 -0.07963 0.13194 0.04144 93 3S 0.23238 0.30303 0.04882 -0.82940 0.06809 94 3PX -0.27410 0.03885 0.19458 -0.32946 0.22704 95 3PY -0.31992 0.33506 0.67813 -0.46170 -0.72362 96 3PZ -0.18580 -0.05730 0.58632 -0.50705 -0.39188 97 4XX -0.10264 0.05441 0.02418 -0.10961 -0.11238 98 4YY 0.00498 -0.03776 0.16801 -0.09345 -0.06625 99 4ZZ 0.10773 -0.02007 -0.15573 0.14065 0.13852 100 4XY -0.03132 0.07576 0.04180 0.17950 -0.03958 101 4XZ -0.03129 0.03340 -0.26516 -0.10355 0.24483 102 4YZ 0.08906 -0.02545 -0.11328 -0.07620 0.05715 103 13 C 1S 0.00338 0.00407 0.00211 0.00206 -0.01257 104 2S 0.04097 0.01239 0.10440 0.35592 -0.10545 105 2PX -0.05169 0.04265 0.01221 -0.02920 0.05143 106 2PY -0.01989 0.05872 0.13395 0.15651 -0.06309 107 2PZ -0.02908 0.02308 0.00042 -0.01985 -0.00328 108 3S -0.55316 0.49144 0.17873 0.33799 0.17918 109 3PX 0.18781 -0.05824 -0.04388 0.37711 0.54528 110 3PY 1.05440 -0.59999 -1.04773 -0.20474 0.67535 111 3PZ 0.14449 0.00502 -0.22400 0.03347 0.78660 112 4XX 0.01279 0.04245 0.15675 0.07499 0.03678 113 4YY -0.04888 -0.00193 -0.12429 0.02925 0.07097 114 4ZZ 0.06291 -0.01571 -0.01776 -0.11396 -0.12297 115 4XY 0.02275 -0.01714 0.03787 0.07318 -0.00065 116 4XZ -0.01743 -0.10655 0.07516 -0.35497 0.04566 117 4YZ -0.02459 -0.01232 0.01363 -0.03259 0.05566 118 14 C 1S 0.00400 0.00252 0.00186 0.00846 0.01040 119 2S -0.00024 0.11703 -0.14640 0.22822 -0.09868 120 2PX 0.00735 -0.04356 0.01414 -0.07903 0.07629 121 2PY 0.01534 -0.01799 -0.09504 -0.15295 0.01512 122 2PZ -0.01036 -0.05051 0.02044 -0.10706 0.05455 123 3S -0.20740 0.04182 0.23552 -0.67121 -0.76218 124 3PX 0.09969 0.09282 -0.16717 0.11851 0.08525 125 3PY -0.12985 0.17170 0.27455 -0.02184 0.30550 126 3PZ 0.18656 0.06427 -0.14797 0.48698 0.20503 127 4XX 0.02915 -0.00499 -0.03665 0.31160 0.07081 128 4YY 0.04182 -0.01374 0.14548 -0.12947 0.06217 129 4ZZ -0.06981 0.00988 -0.11514 -0.21829 -0.10675 130 4XY 0.04213 -0.00015 0.01218 -0.09060 -0.01641 131 4XZ -0.06752 -0.07103 -0.05418 -0.08199 -0.06341 132 4YZ 0.03886 -0.01921 -0.06891 -0.04492 -0.03891 133 15 C 1S 0.00400 -0.00252 0.00185 -0.00846 0.01074 134 2S -0.00017 -0.11676 -0.14670 -0.22816 -0.09439 135 2PX 0.00735 0.04351 0.01411 0.07902 0.07748 136 2PY -0.01531 -0.01815 0.09511 -0.15293 -0.01797 137 2PZ -0.01039 0.05045 0.02042 0.10701 0.05566 138 3S -0.20794 -0.04188 0.23899 0.67131 -0.82835 139 3PX 0.09997 -0.09259 -0.16832 -0.11852 0.10790 140 3PY 0.12991 0.17234 -0.27593 -0.02186 -0.28245 141 3PZ 0.18680 -0.06401 -0.14927 -0.48706 0.22652 142 4XX 0.02911 0.00510 -0.03672 -0.31165 0.06989 143 4YY 0.04179 0.01350 0.14544 0.12942 0.06432 144 4ZZ -0.06975 -0.00973 -0.11499 0.21839 -0.10852 145 4XY -0.04217 -0.00018 -0.01216 -0.09066 0.01329 146 4XZ -0.06754 0.07108 -0.05424 0.08195 -0.06312 147 4YZ -0.03880 -0.01932 0.06891 -0.04499 0.03916 148 16 C 1S 0.00338 -0.00407 0.00214 -0.00206 -0.01296 149 2S 0.04087 -0.01251 0.10501 -0.35582 -0.11803 150 2PX -0.05168 -0.04272 0.01214 0.02917 0.05253 151 2PY 0.01989 0.05888 -0.13406 0.15653 0.06664 152 2PZ -0.02908 -0.02310 0.00043 0.01985 -0.00401 153 3S -0.55228 -0.49180 0.17563 -0.33858 0.22267 154 3PX 0.18784 0.05808 -0.04357 -0.37703 0.54072 155 3PY -1.05467 -0.60177 1.05047 -0.20442 -0.73635 156 3PZ 0.14462 -0.00511 -0.22416 -0.03342 0.79870 157 4XX 0.01276 -0.04260 0.15664 -0.07515 0.03953 158 4YY -0.04881 0.00205 -0.12429 -0.02923 0.06950 159 4ZZ 0.06291 0.01573 -0.01774 0.11408 -0.12149 160 4XY -0.02272 -0.01709 -0.03784 0.07321 0.00119 161 4XZ -0.01752 0.10647 0.07517 0.35491 0.04727 162 4YZ 0.02460 -0.01227 -0.01362 -0.03255 -0.05568 163 17 C 1S -0.00499 0.00189 0.00287 -0.00662 0.01531 164 2S -0.07695 -0.06126 -0.36544 -0.40034 0.45995 165 2PX 0.05155 -0.01223 -0.03341 -0.13725 0.01433 166 2PY -0.02907 -0.03743 0.17312 -0.12407 -0.12817 167 2PZ -0.02673 -0.04075 -0.07974 -0.13194 0.04191 168 3S 0.23119 -0.30319 0.05356 0.82999 -0.03613 169 3PX -0.27449 -0.03941 0.19574 0.32964 0.22462 170 3PY 0.32040 0.33570 -0.67959 -0.46163 0.76485 171 3PZ -0.18634 0.05641 0.58819 0.50746 -0.42254 172 4XX -0.10262 -0.05453 0.02449 0.10962 -0.11892 173 4YY 0.00491 0.03771 0.16806 0.09338 -0.06651 174 4ZZ 0.10776 0.02026 -0.15595 -0.14059 0.14249 175 4XY 0.03127 0.07581 -0.04192 0.17958 0.04067 176 4XZ -0.03121 -0.03308 -0.26540 0.10346 0.25107 177 4YZ -0.08905 -0.02569 0.11319 -0.07612 -0.05657 178 18 H 1S -0.18796 0.00536 0.33648 -0.09056 -0.22778 179 2S -0.10375 -0.01217 0.25078 -0.18566 -0.11487 180 19 H 1S 0.03425 0.03065 0.05441 -0.01700 0.05200 181 2S -0.08890 -0.01959 0.08991 -0.08738 0.03393 182 20 H 1S 0.03422 -0.03074 0.05455 0.01705 0.05076 183 2S -0.08898 0.01937 0.09039 0.08738 0.02593 184 21 H 1S -0.18804 -0.00585 0.33672 0.09063 -0.23089 185 2S -0.10392 0.01175 0.25122 0.18574 -0.11971 186 22 O 1S -0.01774 -0.00826 0.00964 -0.00661 -0.00272 187 2S -0.29788 -0.20440 0.32800 -0.03795 -0.20256 188 2PX -0.00171 0.01909 -0.02085 -0.03383 0.04771 189 2PY -0.01411 0.01655 -0.10044 -0.01814 0.05169 190 2PZ -0.00738 -0.01475 0.01875 0.01686 0.02323 191 3S 1.28734 0.77487 -1.09627 0.28713 0.62564 192 3PX -0.10041 -0.07151 0.08084 0.10252 -0.19890 193 3PY -0.32379 -0.20063 0.28874 -0.06487 -0.14129 194 3PZ 0.04174 0.05607 -0.01935 -0.02586 -0.14621 195 4XX -0.03093 0.00586 -0.05497 0.00163 0.04201 196 4YY -0.10955 -0.06796 0.08802 0.02136 -0.08601 197 4ZZ 0.00155 -0.02084 0.11649 -0.05890 -0.01736 198 4XY 0.02460 -0.03842 -0.00510 -0.12449 0.17959 199 4XZ -0.05497 -0.14809 0.06177 -0.24806 -0.04969 200 4YZ -0.01294 -0.02899 -0.04576 0.08831 0.14713 201 23 O 1S -0.01774 0.00824 0.00962 0.00661 -0.00235 202 2S -0.29787 0.20388 0.32774 0.03797 -0.19523 203 2PX -0.00171 -0.01910 -0.02086 0.03381 0.04767 204 2PY 0.01415 0.01644 0.10046 -0.01816 -0.05292 205 2PZ -0.00738 0.01470 0.01876 -0.01686 0.02280 206 3S 1.28740 -0.77296 -1.09496 -0.28726 0.58849 207 3PX -0.10047 0.07149 0.08082 -0.10247 -0.19683 208 3PY 0.32381 -0.20013 -0.28857 -0.06488 0.13543 209 3PZ 0.04179 -0.05591 -0.01933 0.02585 -0.14533 210 4XX -0.03095 -0.00586 -0.05496 -0.00156 0.04009 211 4YY -0.10955 0.06780 0.08789 -0.02136 -0.08237 212 4ZZ 0.00159 0.02073 0.11647 0.05883 -0.01674 213 4XY -0.02457 -0.03835 0.00495 -0.12442 -0.17719 214 4XZ -0.05505 0.14797 0.06176 0.24805 -0.04778 215 4YZ 0.01298 -0.02890 0.04574 0.08836 -0.14535 171 172 173 174 175 V V V V V Eigenvalues -- 2.20444 2.21750 2.24213 2.27769 2.28221 1 1 C 1S 0.00044 0.00002 -0.02356 -0.03299 -0.00009 2 2S -0.00275 -0.00008 -0.19815 0.24528 0.00062 3 2PX -0.00286 -0.00011 -0.02143 0.13302 0.00041 4 2PY 0.14251 -0.04414 -0.00004 0.00014 -0.08614 5 2PZ -0.00175 -0.00008 0.06840 0.11336 0.00029 6 3S -0.02586 -0.00131 1.13246 0.86268 0.00270 7 3PX 0.00154 -0.00008 0.51090 0.09260 0.00028 8 3PY 0.23744 -0.02380 -0.00011 0.00047 -0.20818 9 3PZ -0.01054 -0.00046 0.13074 0.19895 0.00092 10 4XX -0.00137 -0.00008 0.22136 -0.03047 -0.00004 11 4YY 0.00318 0.00018 -0.10402 -0.12544 -0.00033 12 4ZZ -0.00104 -0.00007 -0.08504 0.04310 0.00006 13 4XY -0.06458 0.07610 -0.00014 0.00038 -0.18695 14 4XZ 0.00225 0.00007 0.11988 0.00049 0.00010 15 4YZ 0.13083 -0.03858 0.00007 -0.00013 0.06531 16 2 H 1S 0.00452 0.00017 -0.09279 -0.05342 -0.00016 17 2S 0.00306 0.00010 0.18193 0.01345 -0.00013 18 3 H 1S 0.00080 0.00008 -0.03295 -0.08399 -0.00013 19 2S -0.00139 -0.00004 -0.14268 0.02525 0.00019 20 4 C 1S 0.03492 -0.01241 0.01522 0.00810 -0.05395 21 2S 0.42157 -0.16816 0.06332 0.15139 -0.74577 22 2PX -0.01992 -0.00152 -0.00669 -0.01319 -0.09783 23 2PY 0.02324 0.02225 0.03367 -0.04503 0.11249 24 2PZ -0.18874 0.02516 -0.04147 -0.04429 -0.06159 25 3S -2.63088 0.50119 -0.76937 -0.68787 1.69779 26 3PX -0.38144 0.11410 0.17357 0.30176 0.30832 27 3PY 1.11098 -0.10988 0.39577 0.62147 -0.91274 28 3PZ -0.31195 -0.09404 -0.02185 -0.09761 0.36168 29 4XX -0.28457 -0.00947 0.32719 0.21777 -0.28778 30 4YY 0.04958 0.02526 0.00672 -0.06344 0.08411 31 4ZZ 0.14250 -0.00197 -0.32057 -0.17967 0.23451 32 4XY -0.01624 0.05272 -0.15565 -0.33168 0.00876 33 4XZ 0.30049 -0.04958 0.25725 0.14923 -0.17393 34 4YZ -0.11101 0.00374 -0.14311 -0.06888 -0.03916 35 5 H 1S -0.06918 -0.05075 -0.07001 -0.09649 -0.04300 36 2S -0.17697 0.01984 -0.02837 -0.13286 0.25123 37 6 C 1S -0.03096 0.00350 -0.00996 -0.01420 -0.01155 38 2S -0.62510 0.07514 -0.05261 -0.15650 -0.33022 39 2PX 0.03398 0.03014 -0.06368 -0.03529 0.03277 40 2PY -0.00267 0.01816 0.08146 0.10407 -0.02840 41 2PZ 0.17004 -0.00762 -0.05241 0.01402 0.15376 42 3S 3.42953 -0.32919 0.28383 0.35299 -0.04617 43 3PX -0.47429 -0.06297 -0.13568 -0.19849 0.26325 44 3PY -1.12822 0.02018 -0.08159 -0.24665 -0.39379 45 3PZ -1.72847 0.05823 -0.16964 -0.32798 -0.04236 46 4XX -0.10893 -0.01956 0.03116 -0.01771 -0.24353 47 4YY -0.04083 -0.00521 0.08677 0.09680 0.03649 48 4ZZ 0.15729 0.01928 -0.14546 -0.11122 0.23059 49 4XY 0.02230 -0.06486 -0.15056 -0.09079 -0.16502 50 4XZ 0.21312 -0.02553 0.26701 0.25767 -0.27188 51 4YZ -0.09686 0.06660 -0.09201 -0.00576 0.05880 52 7 H 1S 0.04064 0.01614 0.05094 0.02236 0.02065 53 2S 0.48334 0.02396 0.03814 0.14608 0.08721 54 8 C 1S -0.03556 0.01238 0.01528 0.00788 0.05403 55 2S -0.44633 0.16697 0.06416 0.14853 0.74720 56 2PX 0.01820 0.00140 -0.00656 -0.01356 0.09783 57 2PY 0.01768 0.02201 -0.03355 0.04462 0.11279 58 2PZ 0.18765 -0.02518 -0.04137 -0.04451 0.06149 59 3S 2.69158 -0.49810 -0.77088 -0.68110 -1.70321 60 3PX 0.38379 -0.11388 0.17327 0.30314 -0.30741 61 3PY 1.14993 -0.10793 -0.39633 -0.61824 -0.91686 62 3PZ 0.32444 0.09475 -0.02193 -0.09643 -0.36268 63 4XX 0.28914 0.00961 0.32758 0.21659 0.28829 64 4YY -0.05037 -0.02531 0.00654 -0.06298 -0.08449 65 4ZZ -0.14249 0.00204 -0.32079 -0.17885 -0.23487 66 4XY -0.02231 0.05249 0.15564 0.33174 0.01015 67 4XZ -0.29743 0.04969 0.25732 0.14861 0.17413 68 4YZ -0.11045 0.00371 0.14317 0.06908 -0.03892 69 9 H 1S 0.07264 0.05093 -0.06986 -0.09688 0.04257 70 2S 0.18668 -0.01936 -0.02849 -0.13195 -0.25219 71 10 C 1S 0.03157 -0.00347 -0.00994 -0.01425 0.01146 72 2S 0.62782 -0.07498 -0.05209 -0.15772 0.32953 73 2PX -0.03416 -0.03015 -0.06369 -0.03512 -0.03283 74 2PY 0.00017 0.01832 -0.08146 -0.10401 -0.02885 75 2PZ -0.16917 0.00768 -0.05264 0.01457 -0.15373 76 3S -3.45992 0.32755 0.28284 0.35310 0.04886 77 3PX 0.47779 0.06319 -0.13556 -0.19765 -0.26399 78 3PY -1.13374 0.01991 0.08075 0.24854 -0.39274 79 3PZ 1.74427 -0.05733 -0.16908 -0.32828 0.04025 80 4XX 0.11369 0.01983 0.03131 -0.01867 0.24310 81 4YY 0.03887 0.00506 0.08679 0.09696 -0.03624 82 4ZZ -0.15803 -0.01929 -0.14567 -0.11034 -0.23061 83 4XY 0.02496 -0.06478 0.15059 0.09142 -0.16484 84 4XZ -0.21338 0.02547 0.26714 0.25664 0.27266 85 4YZ -0.09078 0.06683 0.09209 0.00549 0.05864 86 11 H 1S -0.03617 -0.01597 0.05091 0.02247 -0.02079 87 2S -0.48842 -0.02424 0.03784 0.14655 -0.08639 88 12 C 1S 0.03947 0.00052 0.01270 0.00000 -0.04020 89 2S 0.68355 0.00667 0.17879 0.19108 -0.73429 90 2PX -0.12997 0.06022 -0.06061 0.03282 -0.01137 91 2PY -0.01130 -0.00927 0.07911 0.06201 0.09626 92 2PZ 0.01675 0.02944 0.01299 0.01664 -0.12211 93 3S -4.17773 -0.58018 -0.49795 0.05760 3.50584 94 3PX 0.00324 -1.10389 -0.17926 0.00988 0.55714 95 3PY -1.69172 -0.03231 -0.07213 -0.24269 1.22381 96 3PZ -1.20985 -0.61993 -0.19939 -0.20509 1.25777 97 4XX -0.24989 -0.36355 -0.17441 0.19799 0.12772 98 4YY -0.01142 -0.00158 -0.02712 -0.10450 0.07716 99 4ZZ 0.14433 0.37617 0.19522 -0.11736 -0.08648 100 4XY -0.02646 -0.19650 0.13123 -0.12412 0.21316 101 4XZ 0.26792 -0.06977 -0.09090 -0.03119 -0.03373 102 4YZ -0.03579 0.08897 0.01324 0.14503 -0.28325 103 13 C 1S -0.01507 -0.00891 0.00222 0.00221 0.00925 104 2S -0.51505 0.01849 0.01625 0.03620 -0.06311 105 2PX 0.04779 0.00710 -0.08950 -0.03404 0.07095 106 2PY -0.14660 0.00921 -0.02470 -0.02190 -0.04749 107 2PZ -0.02814 -0.05334 -0.10300 0.00034 -0.01659 108 3S 1.72880 0.42342 -0.27945 -0.19192 -1.08144 109 3PX -0.13522 -0.51693 -0.38042 0.20744 0.16939 110 3PY 2.46130 0.22956 0.42898 0.43010 -1.27912 111 3PZ 0.56063 -0.62839 -0.32210 0.28538 0.07766 112 4XX 0.12899 -0.30993 -0.27460 0.39507 -0.05618 113 4YY -0.06850 0.14751 -0.01515 -0.02500 -0.04311 114 4ZZ 0.05403 0.14026 0.30080 -0.36745 0.10126 115 4XY -0.01830 -0.07995 -0.08722 0.07106 0.00187 116 4XZ 0.07055 -0.08434 -0.04084 -0.00265 0.16429 117 4YZ 0.00263 -0.01207 -0.06674 0.03042 0.00111 118 14 C 1S 0.01434 -0.01130 -0.01149 -0.00093 -0.00468 119 2S 0.17349 -0.07757 -0.08513 -0.07240 -0.23047 120 2PX 0.05053 0.02229 0.01971 -0.00811 0.07889 121 2PY 0.12634 -0.12878 -0.03220 -0.01994 0.07511 122 2PZ 0.04918 -0.06285 -0.05355 0.04559 0.01922 123 3S -2.69979 0.37741 0.44326 -0.19241 1.72264 124 3PX 0.91403 0.05876 -0.06844 0.01366 -0.52591 125 3PY -0.88906 -0.27037 -0.22701 0.05569 0.85241 126 3PZ 0.88144 -0.25883 -0.11844 0.10137 -0.71340 127 4XX -0.02966 -0.13987 -0.13981 0.11060 -0.06599 128 4YY 0.09586 -0.08819 0.02230 0.08231 0.08068 129 4ZZ -0.08377 0.20214 0.11812 -0.20374 0.06442 130 4XY 0.12398 0.23725 -0.00288 0.09139 0.24452 131 4XZ 0.00208 0.10831 0.06038 0.02897 -0.04452 132 4YZ 0.00321 -0.37933 0.15680 -0.07202 -0.10734 133 15 C 1S -0.01407 0.01133 -0.01148 -0.00094 0.00468 134 2S -0.17571 0.07756 -0.08499 -0.07295 0.23033 135 2PX -0.04867 -0.02218 0.01960 -0.00779 -0.07905 136 2PY 0.12585 -0.12884 0.03239 0.01930 0.07519 137 2PZ -0.04781 0.06295 -0.05358 0.04563 -0.01902 138 3S 2.67979 -0.37926 0.44230 -0.18631 -1.72309 139 3PX -0.91139 -0.05845 -0.06834 0.01204 0.52582 140 3PY -0.89639 -0.27109 0.22770 -0.06019 0.85226 141 3PZ -0.87592 0.25933 -0.11789 0.09901 0.71371 142 4XX 0.03151 0.14000 -0.13956 0.11016 0.06647 143 4YY -0.09438 0.08830 0.02211 0.08297 -0.08033 144 4ZZ 0.08108 -0.20235 0.11800 -0.20361 -0.06534 145 4XY 0.12438 0.23730 0.00332 -0.09274 0.24409 146 4XZ -0.00369 -0.10845 0.06043 0.02849 0.04466 147 4YZ 0.00427 -0.37920 -0.15703 0.07253 -0.10689 148 16 C 1S 0.01476 0.00889 0.00222 0.00225 -0.00923 149 2S 0.51238 -0.01850 0.01652 0.03602 0.06341 150 2PX -0.04649 -0.00702 -0.08960 -0.03367 -0.07107 151 2PY -0.14502 0.00927 0.02459 0.02206 -0.04749 152 2PZ 0.02811 0.05337 -0.10297 0.00028 0.01672 153 3S -1.72382 -0.42355 -0.27916 -0.19658 1.08051 154 3PX 0.14862 0.51839 -0.38045 0.20973 -0.16839 155 3PY 2.44372 0.22871 -0.42939 -0.42488 -1.27984 156 3PZ -0.54087 0.63028 -0.32235 0.28704 -0.07688 157 4XX -0.12794 0.31010 -0.27441 0.39467 0.05817 158 4YY 0.07026 -0.14742 -0.01508 -0.02527 0.04295 159 4ZZ -0.05718 -0.14058 0.30053 -0.36680 -0.10310 160 4XY -0.01833 -0.07998 0.08712 -0.07089 0.00143 161 4XZ -0.06940 0.08438 -0.04111 -0.00185 -0.16431 162 4YZ 0.00120 -0.01223 0.06668 -0.03031 0.00097 163 17 C 1S -0.03910 -0.00054 0.01274 -0.00018 0.04017 164 2S -0.67234 -0.00619 0.17950 0.18772 0.73435 165 2PX 0.13044 -0.06010 -0.06058 0.03276 0.01151 166 2PY -0.01440 -0.00940 -0.07903 -0.06227 0.09624 167 2PZ -0.01572 -0.02937 0.01311 0.01604 0.12214 168 3S 4.17800 0.58148 -0.50052 0.07270 -3.50473 169 3PX 0.00233 1.10432 -0.17925 0.01270 -0.55708 170 3PY -1.67338 -0.03079 0.07260 0.23923 1.22399 171 3PZ 1.19977 0.61955 -0.19994 -0.19933 -1.25801 172 4XX 0.24699 0.36338 -0.17428 0.19828 -0.12649 173 4YY 0.00984 0.00150 -0.02714 -0.10446 -0.07753 174 4ZZ -0.14088 -0.37601 0.19504 -0.11723 0.08561 175 4XY -0.02525 -0.19627 -0.13103 0.12308 0.21372 176 4XZ -0.26163 0.07025 -0.09104 -0.03100 0.03338 177 4YZ -0.03741 0.08879 -0.01361 -0.14375 -0.28371 178 18 H 1S -0.11531 -0.26579 -0.08095 -0.04918 0.15784 179 2S -0.18042 -0.25945 -0.03987 -0.10341 0.29057 180 19 H 1S -0.03710 -0.14737 -0.00202 0.00355 0.14182 181 2S -0.31981 0.01132 -0.02028 -0.01105 0.26871 182 20 H 1S 0.03833 0.14748 -0.00217 0.00442 -0.14184 183 2S 0.32049 -0.01128 -0.02048 -0.00999 -0.26876 184 21 H 1S 0.10952 0.26526 -0.08082 -0.04885 -0.15765 185 2S 0.17756 0.25930 -0.03989 -0.10221 -0.29093 186 22 O 1S 0.01489 0.00022 -0.00545 -0.00480 -0.00873 187 2S 0.28692 0.09945 -0.11897 -0.10652 -0.18923 188 2PX -0.00253 0.01568 -0.02569 0.00141 0.01081 189 2PY 0.05713 -0.09400 0.00304 -0.00743 0.02744 190 2PZ -0.02143 0.06276 -0.02200 0.02294 -0.01893 191 3S -1.48189 -0.14708 0.51511 0.47429 0.79115 192 3PX 0.09137 -0.10609 0.08130 -0.06481 -0.04358 193 3PY 0.22916 0.05766 -0.13350 -0.11852 -0.15779 194 3PZ 0.05081 -0.21454 0.12071 -0.07635 0.07871 195 4XX -0.08123 -0.03926 0.12352 -0.17818 -0.02458 196 4YY 0.14743 0.01615 -0.03798 -0.03778 -0.05703 197 4ZZ 0.02089 0.08713 -0.12780 0.18656 -0.00661 198 4XY -0.10264 0.07234 -0.11063 0.05882 0.03191 199 4XZ 0.07629 0.01204 -0.02300 0.00248 0.04449 200 4YZ -0.08533 0.21838 -0.13220 0.10667 -0.02931 201 23 O 1S -0.01496 -0.00023 -0.00544 -0.00483 0.00872 202 2S -0.29190 -0.09975 -0.11887 -0.10734 0.18906 203 2PX 0.00370 -0.01559 -0.02571 0.00140 -0.01080 204 2PY 0.05581 -0.09408 -0.00300 0.00727 0.02752 205 2PZ 0.02202 -0.06270 -0.02199 0.02285 0.01902 206 3S 1.49710 0.14803 0.51480 0.47757 -0.79016 207 3PX -0.09634 0.10567 0.08132 -0.06462 0.04337 208 3PY 0.23263 0.05791 0.13342 0.11921 -0.15752 209 3PZ -0.05447 0.21417 0.12064 -0.07581 -0.07901 210 4XX 0.08216 0.03922 0.12361 -0.17849 0.02365 211 4YY -0.14953 -0.01625 -0.03794 -0.03798 0.05699 212 4ZZ -0.02123 -0.08710 -0.12787 0.18666 0.00756 213 4XY -0.10705 0.07202 0.11065 -0.05858 0.03171 214 4XZ -0.07745 -0.01211 -0.02315 0.00277 -0.04441 215 4YZ -0.08902 0.21806 0.13214 -0.10634 -0.02979 176 177 178 179 180 V V V V V Eigenvalues -- 2.30751 2.32015 2.34403 2.36808 2.40392 1 1 C 1S -0.00004 -0.03837 0.00000 0.00709 0.00001 2 2S -0.00003 -0.17216 -0.00001 0.07674 0.00007 3 2PX 0.00009 0.06368 -0.00002 0.00167 -0.00003 4 2PY 0.02730 0.00000 0.04452 0.00003 0.10539 5 2PZ 0.00010 0.05742 0.00001 0.08056 -0.00002 6 3S 0.00163 1.95375 0.00018 -0.04990 -0.00057 7 3PX 0.00037 0.48968 0.00004 0.01316 -0.00024 8 3PY -0.05978 -0.00001 0.26425 -0.00002 0.36503 9 3PZ 0.00053 0.67300 0.00005 0.06026 -0.00004 10 4XX 0.00019 0.17575 0.00017 0.87367 0.00002 11 4YY -0.00010 -0.12539 -0.00006 -0.12404 0.00003 12 4ZZ -0.00016 -0.07299 -0.00010 -0.74723 -0.00004 13 4XY 0.05730 -0.00007 0.26351 0.00011 0.19845 14 4XZ 0.00004 0.02572 -0.00002 0.00109 -0.00006 15 4YZ -0.08216 0.00006 -0.07924 0.00009 -0.07830 16 2 H 1S -0.00020 -0.19895 -0.00012 -0.40961 -0.00003 17 2S 0.00003 0.02012 0.00006 0.15238 0.00000 18 3 H 1S 0.00002 -0.03907 0.00004 0.48678 0.00005 19 2S 0.00010 0.15576 -0.00002 -0.17511 0.00004 20 4 C 1S 0.01039 0.02141 0.02430 0.00719 0.05017 21 2S 0.27490 0.36933 0.34706 0.12627 0.62456 22 2PX 0.05885 0.00012 0.03737 -0.01935 0.04696 23 2PY -0.09734 -0.07452 -0.02854 -0.01036 -0.10163 24 2PZ 0.06990 0.01230 -0.01586 -0.01154 -0.04106 25 3S -0.15895 -1.43935 -1.24744 -0.60016 -1.76207 26 3PX -0.04840 0.07789 -0.35503 -0.19606 -0.26724 27 3PY 0.29838 1.01285 0.41408 0.12001 0.94083 28 3PZ -0.16232 -0.08287 0.07020 -0.13797 0.03672 29 4XX 0.24809 0.07641 0.02997 0.14761 0.27107 30 4YY -0.14020 0.02557 -0.16976 -0.21568 -0.14178 31 4ZZ -0.11669 -0.16235 0.08131 0.03152 -0.18869 32 4XY 0.05911 -0.09739 0.23765 0.31362 0.06107 33 4XZ -0.05012 0.03299 -0.02875 -0.04698 0.15175 34 4YZ 0.03345 -0.05009 -0.14797 -0.14063 -0.02219 35 5 H 1S 0.05595 -0.09148 0.13645 0.14923 0.09217 36 2S -0.14855 -0.23797 -0.08503 -0.04584 -0.25920 37 6 C 1S 0.01182 -0.00717 0.00695 -0.01304 -0.00219 38 2S 0.31554 0.00007 -0.21823 -0.30839 0.12722 39 2PX 0.01494 -0.05695 0.03077 0.02004 -0.01209 40 2PY 0.00443 0.06433 0.00633 0.08517 0.01592 41 2PZ -0.11118 -0.08406 0.02611 0.07613 -0.10770 42 3S -0.62235 0.49832 0.71740 0.55240 0.63048 43 3PX -0.03873 -0.04106 0.34264 -0.00716 -0.03678 44 3PY 0.29786 -0.11986 -0.03459 -0.06574 -0.06463 45 3PZ 0.22427 -0.21436 -0.54558 -0.37181 -0.24407 46 4XX 0.11291 -0.03237 0.01378 -0.23614 0.07818 47 4YY -0.01226 0.04148 -0.07457 0.12225 -0.03934 48 4ZZ -0.12749 -0.01734 0.11888 0.12627 -0.06869 49 4XY -0.09224 -0.01593 -0.60316 0.01796 -0.22679 50 4XZ -0.03319 0.10195 -0.22400 -0.05118 0.15829 51 4YZ 0.05009 0.05549 0.12956 0.02830 0.02277 52 7 H 1S 0.05343 -0.05026 0.07426 -0.07004 0.00961 53 2S -0.08924 0.04354 0.01770 0.11839 0.00456 54 8 C 1S -0.01035 0.02141 -0.02431 0.00719 -0.05019 55 2S -0.27429 0.36964 -0.34696 0.12620 -0.62469 56 2PX -0.05883 0.00018 -0.03740 -0.01935 -0.04695 57 2PY -0.09723 0.07460 -0.02849 0.01041 -0.10163 58 2PZ -0.06989 0.01237 0.01583 -0.01152 0.04105 59 3S 0.15643 -1.43973 1.24727 -0.59971 1.76295 60 3PX 0.04867 0.07782 0.35501 -0.19597 0.26718 61 3PY 0.29672 -1.01307 0.41385 -0.11962 0.94130 62 3PZ 0.16215 -0.08304 -0.07013 -0.13775 -0.03676 63 4XX -0.24781 0.07650 -0.02992 0.14779 -0.27111 64 4YY 0.14011 0.02542 0.16987 -0.21597 0.14186 65 4ZZ 0.11641 -0.16237 -0.08153 0.03165 0.18866 66 4XY 0.05940 0.09725 0.23754 -0.31370 0.06092 67 4XZ 0.05024 0.03301 0.02897 -0.04716 -0.15166 68 4YZ 0.03360 0.05017 -0.14786 0.14062 -0.02219 69 9 H 1S -0.05606 -0.09141 -0.13656 0.14948 -0.09219 70 2S 0.14818 -0.23805 0.08498 -0.04579 0.25930 71 10 C 1S -0.01184 -0.00715 -0.00696 -0.01303 0.00220 72 2S -0.31572 0.00021 0.21817 -0.30835 -0.12724 73 2PX -0.01502 -0.05689 -0.03082 0.02007 0.01208 74 2PY 0.00425 -0.06432 0.00627 -0.08513 0.01593 75 2PZ 0.11113 -0.08411 -0.02613 0.07614 0.10774 76 3S 0.62334 0.49783 -0.71730 0.55158 -0.63061 77 3PX 0.03847 -0.04084 -0.34266 -0.00698 0.03676 78 3PY 0.29819 0.11953 -0.03457 0.06549 -0.06471 79 3PZ -0.22479 -0.21434 0.54550 -0.37156 0.24419 80 4XX -0.11296 -0.03227 -0.01359 -0.23613 -0.07801 81 4YY 0.01239 0.04146 0.07442 0.12226 0.03930 82 4ZZ 0.12738 -0.01741 -0.11891 0.12627 0.06859 83 4XY -0.09220 0.01647 -0.60314 -0.01791 -0.22678 84 4XZ 0.03345 0.10187 0.22402 -0.05139 -0.15830 85 4YZ 0.04998 -0.05562 0.12961 -0.02827 0.02276 86 11 H 1S -0.05350 -0.05017 -0.07424 -0.06995 -0.00958 87 2S 0.08941 0.04344 -0.01767 0.11828 -0.00461 88 12 C 1S -0.00406 -0.04895 0.03482 -0.01433 0.03093 89 2S -0.41096 -0.49211 0.24144 0.09705 0.51441 90 2PX 0.01523 0.04826 -0.05837 -0.00612 -0.02646 91 2PY -0.17073 -0.18644 -0.03430 0.00447 0.08507 92 2PZ -0.06450 0.02153 -0.01315 0.03304 -0.00018 93 3S 1.31513 2.27450 -2.01733 0.11575 -1.71223 94 3PX 0.74302 0.58561 -0.07892 0.01114 0.42670 95 3PY -1.03681 -0.58762 -0.48641 -0.01871 0.34236 96 3PZ 0.61151 0.70816 -0.51916 0.03541 -0.23705 97 4XX -0.01173 -0.06040 0.03031 0.07168 -0.00309 98 4YY -0.25638 0.14285 -0.03356 -0.08347 0.14872 99 4ZZ 0.30769 -0.08985 0.01407 -0.06518 -0.18273 100 4XY 0.20323 -0.24866 -0.19838 -0.01101 0.22332 101 4XZ 0.19837 0.17390 0.02831 -0.00633 -0.00800 102 4YZ -0.10114 -0.25572 0.20091 0.00151 -0.28376 103 13 C 1S 0.00056 -0.00273 -0.01127 0.00890 0.00673 104 2S 0.18356 0.02969 -0.31618 0.09120 0.10054 105 2PX 0.05434 0.16852 -0.00220 -0.02568 -0.02231 106 2PY 0.05734 -0.00144 -0.07641 -0.01761 -0.05129 107 2PZ 0.02583 0.17227 -0.02429 0.01348 -0.01355 108 3S -0.45496 -0.20460 0.99195 -0.28229 -0.44414 109 3PX 1.52413 1.75603 -0.25426 -0.01131 -0.83027 110 3PY -0.23279 0.04144 0.95989 -0.14712 -0.15077 111 3PZ 1.29365 1.68043 0.09963 -0.05796 -0.75218 112 4XX -0.12906 -0.17374 0.10593 0.07742 0.13727 113 4YY -0.02503 0.02122 0.01793 -0.00404 -0.01096 114 4ZZ 0.08724 0.12869 -0.04405 -0.07950 -0.13680 115 4XY -0.10370 0.11710 -0.06288 0.04930 0.14146 116 4XZ 0.02287 0.02075 0.06032 -0.07183 0.07132 117 4YZ -0.08059 0.16539 0.05173 -0.04904 -0.03150 118 14 C 1S 0.00952 0.05374 0.00552 -0.00882 -0.00622 119 2S 0.36348 0.38639 -0.04715 0.03609 -0.24949 120 2PX -0.02972 0.03473 0.02404 -0.04173 0.06543 121 2PY 0.23754 0.20893 0.02577 -0.02453 -0.08563 122 2PZ -0.05128 0.05392 0.04828 -0.00702 0.00522 123 3S -0.76345 -2.03023 -0.80959 0.15712 0.82256 124 3PX 0.44093 0.50172 0.20712 -0.03570 -0.40333 125 3PY 1.00970 0.54213 -0.32832 -0.02846 -0.51739 126 3PZ 0.58387 0.61563 0.32361 -0.06996 -0.65868 127 4XX -0.10320 0.14423 -0.00244 0.00082 0.17846 128 4YY 0.26887 -0.19051 0.02021 -0.00433 -0.12197 129 4ZZ -0.14208 0.12711 0.00500 -0.03530 -0.04337 130 4XY 0.17395 -0.17650 -0.15640 0.03237 0.34112 131 4XZ -0.26496 -0.33935 0.02604 0.05832 0.11831 132 4YZ -0.00960 -0.19903 0.15000 0.00149 -0.27591 133 15 C 1S -0.00948 0.05375 -0.00548 -0.00882 0.00621 134 2S -0.36319 0.38682 0.04741 0.03610 0.24937 135 2PX 0.02968 0.03473 -0.02398 -0.04171 -0.06544 136 2PY 0.23738 -0.20917 0.02560 0.02441 -0.08556 137 2PZ 0.05138 0.05389 -0.04825 -0.00703 -0.00527 138 3S 0.76140 -2.03224 0.80808 0.15764 -0.82201 139 3PX -0.44063 0.50265 -0.20669 -0.03580 0.40321 140 3PY 1.00901 -0.54266 -0.32869 0.02788 -0.51727 141 3PZ -0.58328 0.61678 -0.32313 -0.07007 0.65849 142 4XX 0.10344 0.14408 0.00254 0.00077 -0.17859 143 4YY -0.26894 -0.19019 -0.02038 -0.00420 0.12210 144 4ZZ 0.14199 0.12695 -0.00486 -0.03534 0.04335 145 4XY 0.17405 0.17646 -0.15623 -0.03250 0.34101 146 4XZ 0.26473 -0.33961 -0.02631 0.05827 -0.11819 147 4YZ -0.00927 0.19893 0.15009 -0.00145 -0.27602 148 16 C 1S -0.00054 -0.00275 0.01125 0.00890 -0.00671 149 2S -0.18342 0.02954 0.31613 0.09124 -0.10052 150 2PX -0.05421 0.16861 0.00230 -0.02568 0.02229 151 2PY 0.05737 0.00146 -0.07641 0.01760 -0.05125 152 2PZ -0.02563 0.17227 0.02436 0.01347 0.01351 153 3S 0.45420 -0.20397 -0.99176 -0.28276 0.44371 154 3PX -1.52200 1.75745 0.25528 -0.01091 0.83002 155 3PY -0.23314 -0.04212 0.95951 0.14757 -0.15044 156 3PZ -1.29172 1.68197 -0.09850 -0.05767 0.75195 157 4XX 0.12946 -0.17375 -0.10622 0.07738 -0.13731 158 4YY 0.02497 0.02116 -0.01792 -0.00405 0.01102 159 4ZZ -0.08756 0.12874 0.04431 -0.07949 0.13681 160 4XY -0.10391 -0.11694 -0.06290 -0.04924 0.14146 161 4XZ -0.02293 0.02076 -0.06026 -0.07172 -0.07145 162 4YZ -0.08077 -0.16540 0.05161 0.04906 -0.03145 163 17 C 1S 0.00400 -0.04894 -0.03484 -0.01432 -0.03092 164 2S 0.41064 -0.49230 -0.24165 0.09667 -0.51436 165 2PX -0.01512 0.04825 0.05839 -0.00612 0.02651 166 2PY -0.17062 0.18663 -0.03426 -0.00442 0.08512 167 2PZ 0.06457 0.02147 0.01315 0.03296 0.00018 168 3S -1.31251 2.27390 2.01849 0.11689 1.71193 169 3PX -0.74218 0.58581 0.07913 0.01152 -0.42670 170 3PY -1.03598 0.58971 -0.48584 0.01861 0.34225 171 3PZ -0.61089 0.70821 0.51947 0.03602 0.23699 172 4XX 0.01202 -0.06064 -0.03052 0.07180 0.00305 173 4YY 0.25631 0.14262 0.03365 -0.08357 -0.14871 174 4ZZ -0.30798 -0.08937 -0.01396 -0.06508 0.18273 175 4XY 0.20369 0.24868 -0.19830 0.01090 0.22327 176 4XZ -0.19823 0.17412 -0.02820 -0.00639 0.00806 177 4YZ -0.10107 0.25562 0.20103 -0.00139 -0.28369 178 18 H 1S -0.19795 0.06140 -0.00384 -0.00271 0.31890 179 2S 0.01334 0.01974 -0.05123 0.03382 0.14518 180 19 H 1S 0.22919 0.05787 -0.04171 -0.01302 -0.04066 181 2S -0.03384 -0.06313 -0.09645 0.01233 0.07888 182 20 H 1S -0.22915 0.05803 0.04175 -0.01293 0.04068 183 2S 0.03381 -0.06334 0.09640 0.01242 -0.07885 184 21 H 1S 0.19801 0.06104 0.00373 -0.00265 -0.31886 185 2S -0.01344 0.01955 0.05123 0.03393 -0.14521 186 22 O 1S -0.00120 -0.00057 0.00564 0.00345 -0.00594 187 2S -0.01026 -0.03542 0.09975 0.00921 -0.01081 188 2PX -0.05543 0.07448 0.01485 0.00906 0.01947 189 2PY -0.00265 0.01717 -0.00404 -0.00566 0.01004 190 2PZ -0.02367 0.07553 -0.01091 -0.00582 0.01762 191 3S 0.08784 0.07388 -0.48480 -0.06137 0.04662 192 3PX 0.35929 -0.41822 -0.02212 0.00414 -0.20008 193 3PY -0.01314 -0.01856 0.06609 0.01176 -0.00677 194 3PZ 0.24647 -0.39659 0.01109 0.00226 -0.13017 195 4XX -0.12911 0.09082 0.01627 -0.01262 0.03713 196 4YY 0.02983 -0.02890 0.04613 -0.00056 0.00614 197 4ZZ 0.09226 -0.07755 -0.01694 0.04266 -0.09665 198 4XY -0.34978 0.26376 -0.02986 -0.03922 0.20461 199 4XZ 0.02053 0.00164 0.02620 0.02516 0.00269 200 4YZ -0.21961 0.23380 -0.00889 0.04294 0.03560 201 23 O 1S 0.00119 -0.00056 -0.00564 0.00344 0.00594 202 2S 0.01020 -0.03533 -0.09984 0.00917 0.01080 203 2PX 0.05551 0.07444 -0.01481 0.00905 -0.01947 204 2PY -0.00262 -0.01717 -0.00406 0.00567 0.01002 205 2PZ 0.02377 0.07551 0.01095 -0.00582 -0.01763 206 3S -0.08749 0.07346 0.48507 -0.06114 -0.04665 207 3PX -0.35979 -0.41785 0.02184 0.00421 0.20013 208 3PY -0.01310 0.01848 0.06614 -0.01173 -0.00675 209 3PZ -0.24696 -0.39638 -0.01130 0.00234 0.13022 210 4XX 0.12904 0.09073 -0.01612 -0.01264 -0.03715 211 4YY -0.02995 -0.02885 -0.04618 -0.00057 -0.00612 212 4ZZ -0.09209 -0.07748 0.01682 0.04268 0.09664 213 4XY -0.35011 -0.26331 -0.03002 0.03930 0.20464 214 4XZ -0.02051 0.00171 -0.02624 0.02520 -0.00265 215 4YZ -0.21999 -0.23367 -0.00897 -0.04288 0.03562 181 182 183 184 185 V V V V V Eigenvalues -- 2.45224 2.47119 2.50713 2.57242 2.57978 1 1 C 1S -0.09296 0.00012 0.02146 0.00002 -0.00001 2 2S -0.26126 0.00034 0.10788 0.00011 0.00000 3 2PX 0.17822 -0.00021 -0.01188 -0.00002 0.00003 4 2PY -0.00019 -0.16085 -0.00003 0.09784 0.06737 5 2PZ 0.22698 -0.00031 -0.01385 -0.00003 0.00003 6 3S 2.99121 -0.00375 -0.69868 -0.00066 0.00049 7 3PX 1.23179 -0.00154 -0.34307 -0.00032 0.00011 8 3PY 0.00007 -0.06911 -0.00014 0.24761 0.15459 9 3PZ 0.77278 -0.00099 -0.28493 -0.00016 0.00015 10 4XX -0.35686 0.00046 0.12657 0.00003 -0.00001 11 4YY 0.36137 -0.00053 -0.10981 -0.00002 0.00001 12 4ZZ -0.08760 0.00018 -0.00428 -0.00001 -0.00003 13 4XY -0.00007 0.02469 -0.00002 0.13850 0.07967 14 4XZ 0.69370 -0.00092 -0.05779 -0.00014 0.00003 15 4YZ 0.00032 0.14665 -0.00009 0.21839 0.09783 16 2 H 1S 0.27266 -0.00035 -0.05649 -0.00004 -0.00002 17 2S 0.07515 -0.00011 -0.03820 -0.00004 -0.00001 18 3 H 1S -0.08090 0.00006 0.06606 0.00006 0.00000 19 2S -0.02636 0.00004 -0.18610 -0.00002 0.00001 20 4 C 1S 0.07105 -0.04520 -0.01201 0.02200 0.02488 21 2S 0.15714 -1.02738 0.03169 -0.05339 -0.07988 22 2PX 0.09325 -0.04163 0.01068 -0.01027 -0.02862 23 2PY 0.16777 0.20675 -0.01472 0.06400 0.08420 24 2PZ 0.01457 -0.02595 -0.01029 -0.00347 -0.13889 25 3S -2.47398 2.20237 0.35845 -0.31711 -1.24767 26 3PX 0.08238 0.75064 -0.07635 0.08752 0.02595 27 3PY 1.12510 -1.27738 -0.30008 0.21414 0.39554 28 3PZ -0.16090 0.32211 0.01905 0.04441 -0.46695 29 4XX 0.36902 0.14097 -0.04024 0.03787 0.16838 30 4YY -0.33992 0.12063 -0.05308 -0.04167 -0.02840 31 4ZZ 0.03901 -0.08666 0.06758 0.03218 -0.08707 32 4XY -0.23399 -0.24257 0.05384 -0.08073 -0.05816 33 4XZ -0.42740 0.31741 0.07918 -0.07370 -0.15645 34 4YZ -0.07013 0.01036 0.05187 -0.05954 0.09963 35 5 H 1S 0.15573 -0.06618 0.04662 -0.00738 0.05149 36 2S -0.20269 0.40224 0.09908 -0.03839 -0.05531 37 6 C 1S -0.02721 -0.01243 0.00171 0.01093 -0.06502 38 2S -0.15801 -0.19527 -0.11595 -0.07658 -0.22437 39 2PX -0.01540 -0.00517 0.00566 -0.02378 -0.01180 40 2PY 0.10135 -0.00169 0.02959 0.11560 -0.16591 41 2PZ -0.08987 0.11533 0.06472 -0.01091 -0.04547 42 3S 1.04219 -0.75389 -0.11011 -0.10077 2.73882 43 3PX -0.08014 0.01058 0.00308 0.01696 -0.31996 44 3PY -0.08653 -0.07146 -0.10832 0.14979 -0.90920 45 3PZ -0.59333 0.45099 -0.02263 0.01471 -1.06172 46 4XX -0.28177 0.01853 -0.01641 0.07237 -0.44093 47 4YY 0.01360 0.04038 0.04809 -0.19660 0.31588 48 4ZZ 0.25167 -0.05095 -0.00805 0.13823 0.12261 49 4XY 0.03386 -0.34038 -0.01780 0.02369 0.05077 50 4XZ 0.00481 0.45054 -0.00685 0.05251 0.16690 51 4YZ -0.00284 0.15070 0.04838 -0.04337 0.00287 52 7 H 1S -0.08607 -0.11044 -0.00137 -0.02774 -0.10029 53 2S 0.12716 -0.00209 0.06417 -0.03492 0.33040 54 8 C 1S 0.07115 0.04502 -0.01199 -0.02201 -0.02486 55 2S 0.15948 1.02716 0.03158 0.05332 0.07999 56 2PX 0.09337 0.04137 0.01069 0.01022 0.02860 57 2PY -0.16725 0.20725 0.01465 0.06404 0.08420 58 2PZ 0.01456 0.02594 -0.01035 0.00343 0.13886 59 3S -2.47898 -2.19635 0.35791 0.31778 1.24679 60 3PX 0.08083 -0.75088 -0.07629 -0.08771 -0.02609 61 3PY -1.12808 -1.27489 0.29986 0.21460 0.39494 62 3PZ -0.16200 -0.32180 0.01911 -0.04440 0.46698 63 4XX 0.36855 -0.14194 -0.04017 -0.03798 -0.16831 64 4YY -0.34012 -0.11969 -0.05308 0.04185 0.02836 65 4ZZ 0.03930 0.08649 0.06759 -0.03221 0.08702 66 4XY 0.23355 -0.24312 -0.05378 -0.08087 -0.05819 67 4XZ -0.42847 -0.31615 0.07923 0.07380 0.15637 68 4YZ 0.06996 0.01009 -0.05183 -0.05954 0.09970 69 9 H 1S 0.15583 0.06570 0.04661 0.00733 -0.05148 70 2S -0.20364 -0.40183 0.09906 0.03848 0.05512 71 10 C 1S -0.02720 0.01249 0.00171 -0.01093 0.06502 72 2S -0.15763 0.19580 -0.11619 0.07655 0.22434 73 2PX -0.01536 0.00520 0.00567 0.02377 0.01180 74 2PY -0.10126 -0.00142 -0.02965 0.11561 -0.16595 75 2PZ -0.09016 -0.11513 0.06476 0.01093 0.04540 76 3S 1.04481 0.75115 -0.10921 0.10067 -2.73840 77 3PX -0.08019 -0.01037 0.00296 -0.01696 0.32008 78 3PY 0.08683 -0.07159 0.10870 0.14972 -0.90920 79 3PZ -0.59473 -0.44947 -0.02310 -0.01463 1.06141 80 4XX -0.28209 -0.01768 -0.01643 -0.07235 0.44087 81 4YY 0.01364 -0.04057 0.04802 0.19662 -0.31586 82 4ZZ 0.25195 0.05026 -0.00793 -0.13825 -0.12256 83 4XY -0.03497 -0.34021 0.01791 0.02364 0.05095 84 4XZ 0.00346 -0.45054 -0.00674 -0.05252 -0.16686 85 4YZ 0.00318 0.15056 -0.04843 -0.04330 0.00284 86 11 H 1S -0.08582 0.11065 -0.00139 0.02776 0.10027 87 2S 0.12731 0.00179 0.06433 0.03489 -0.33036 88 12 C 1S 0.00766 -0.04007 0.04599 0.05724 0.00285 89 2S 0.09317 -0.64904 0.26071 0.19606 -0.27745 90 2PX -0.08386 -0.01845 -0.11291 -0.02949 -0.00681 91 2PY -0.00756 0.04134 0.20889 -0.21441 -0.04724 92 2PZ -0.00035 -0.09573 -0.09323 0.01347 -0.06195 93 3S -0.36147 3.09425 -1.70015 -2.17610 0.27728 94 3PX 0.05433 -0.05831 -0.72317 -0.34217 0.04850 95 3PY 0.15737 1.30656 0.15652 -1.01661 -0.34274 96 3PZ 0.07380 1.15724 -0.67233 -0.49590 0.30643 97 4XX -0.05493 0.08085 0.01870 0.22940 0.24740 98 4YY 0.01829 0.01742 -0.04723 -0.45234 -0.09539 99 4ZZ 0.04311 0.00474 0.03397 0.18316 -0.07595 100 4XY 0.02393 0.02608 0.17819 -0.23679 -0.25504 101 4XZ -0.06946 -0.15578 -0.35818 -0.21003 -0.04154 102 4YZ -0.00669 -0.02066 0.16667 -0.27363 0.28823 103 13 C 1S -0.01105 -0.00826 -0.10792 0.00716 -0.01669 104 2S 0.03265 -0.07613 -0.43941 -0.10057 -0.17644 105 2PX 0.01138 0.08103 -0.02493 0.00114 0.05918 106 2PY 0.01942 0.06571 0.13905 -0.04442 0.01381 107 2PZ 0.01637 0.02732 -0.02053 0.04512 -0.00292 108 3S 0.14621 -0.24924 2.80316 0.05157 0.61240 109 3PX -0.17484 0.06550 -0.42988 -0.33142 0.56387 110 3PY 0.03027 -1.12286 1.38564 0.06160 0.43656 111 3PZ -0.21050 -0.18155 -0.16262 -0.15730 0.56960 112 4XX -0.03724 -0.15375 -0.15197 0.05731 0.29307 113 4YY -0.00388 0.02743 0.19716 0.07007 0.01129 114 4ZZ -0.00138 0.11243 -0.18712 -0.08889 -0.29578 115 4XY -0.03169 -0.09011 -0.15236 -0.05264 -0.11523 116 4XZ 0.05100 0.06997 0.60485 -0.00667 0.05063 117 4YZ 0.02540 0.04294 0.15643 -0.35140 0.15825 118 14 C 1S 0.00210 0.00376 0.04032 -0.05063 0.01694 119 2S 0.09955 -0.00657 0.14946 -0.14327 0.16827 120 2PX -0.01982 -0.01629 0.09534 -0.01743 0.03270 121 2PY 0.02906 0.01004 0.17196 0.16757 0.06122 122 2PZ -0.00133 -0.00587 0.11529 -0.01505 -0.02504 123 3S 0.06117 0.85953 -1.03657 1.84650 -1.17487 124 3PX 0.07388 -0.21129 0.45348 -0.34441 0.50507 125 3PY -0.12514 0.48090 -0.05805 0.72420 0.11101 126 3PZ 0.03661 -0.22178 0.50622 -0.42612 0.60422 127 4XX -0.01176 -0.10027 0.06356 -0.11924 0.08667 128 4YY -0.03380 0.03284 -0.01792 0.31739 0.07279 129 4ZZ 0.01761 0.10353 -0.01555 -0.17737 -0.14891 130 4XY -0.02057 -0.12257 -0.11121 -0.14537 0.30386 131 4XZ -0.03411 -0.10544 -0.30054 0.33013 -0.10709 132 4YZ -0.01623 0.08629 -0.12440 -0.19253 -0.22279 133 15 C 1S 0.00210 -0.00375 0.04033 0.05062 -0.01694 134 2S 0.09955 0.00640 0.14942 0.14324 -0.16833 135 2PX -0.01977 0.01637 0.09536 0.01739 -0.03266 136 2PY -0.02900 0.01003 -0.17192 0.16763 0.06112 137 2PZ -0.00133 0.00592 0.11531 0.01502 0.02508 138 3S 0.05956 -0.86022 -1.03633 -1.84633 1.17515 139 3PX 0.07421 0.21123 0.45333 0.34421 -0.50521 140 3PY 0.12567 0.48057 0.05811 0.72417 0.11107 141 3PZ 0.03706 0.22192 0.50613 0.42601 -0.60432 142 4XX -0.01147 0.10037 0.06347 0.11926 -0.08671 143 4YY -0.03394 -0.03280 -0.01793 -0.31740 -0.07288 144 4ZZ 0.01741 -0.10358 -0.01544 0.17733 0.14910 145 4XY 0.02024 -0.12256 0.11140 -0.14534 0.30397 146 4XZ -0.03403 0.10539 -0.30060 -0.33006 0.10726 147 4YZ 0.01642 0.08635 0.12418 -0.19259 -0.22266 148 16 C 1S -0.01102 0.00826 -0.10792 -0.00714 0.01673 149 2S 0.03301 0.07594 -0.43945 0.10063 0.17670 150 2PX 0.01122 -0.08106 -0.02492 -0.00114 -0.05906 151 2PY -0.01933 0.06571 -0.13908 -0.04441 0.01384 152 2PZ 0.01631 -0.02733 -0.02056 -0.04514 0.00285 153 3S 0.14568 0.24962 2.80322 -0.05201 -0.61290 154 3PX -0.17426 -0.06478 -0.42987 0.33150 -0.56365 155 3PY -0.03187 -1.12316 -1.38545 0.06195 0.43686 156 3PZ -0.20962 0.18222 -0.16282 0.15734 -0.56986 157 4XX -0.03694 0.15387 -0.15215 -0.05728 -0.29276 158 4YY -0.00397 -0.02740 0.19720 -0.07006 -0.01192 159 4ZZ -0.00158 -0.11251 -0.18692 0.08891 0.29615 160 4XY 0.03139 -0.09019 0.15236 -0.05265 -0.11493 161 4XZ 0.05081 -0.06990 0.60487 0.00656 -0.05068 162 4YZ -0.02540 0.04295 -0.15642 -0.35140 0.15786 163 17 C 1S 0.00769 0.04005 0.04598 -0.05726 -0.00286 164 2S 0.09411 0.64861 0.26057 -0.19614 0.27733 165 2PX -0.08372 0.01862 -0.11290 0.02955 0.00676 166 2PY 0.00754 0.04133 -0.20897 -0.21438 -0.04733 167 2PZ -0.00017 0.09570 -0.09328 -0.01343 0.06192 168 3S -0.36508 -3.09307 -1.69950 2.17655 -0.27686 169 3PX 0.05505 0.05792 -0.72309 0.34211 -0.04841 170 3PY -0.15519 1.30687 -0.15729 -1.01647 -0.34271 171 3PZ 0.07211 -1.15746 -0.67214 0.49605 -0.30612 172 4XX -0.05514 -0.08062 0.01873 -0.22938 -0.24724 173 4YY 0.01845 -0.01744 -0.04714 0.45228 0.09523 174 4ZZ 0.04294 -0.00490 0.03390 -0.18311 0.07597 175 4XY -0.02400 0.02610 -0.17821 -0.23675 -0.25515 176 4XZ -0.06905 0.15580 -0.35815 0.21014 0.04162 177 4YZ 0.00663 -0.02064 -0.16679 -0.27371 0.28817 178 18 H 1S 0.07137 0.06122 -0.01370 0.17765 -0.04477 179 2S 0.07865 0.30151 -0.09130 -0.29974 0.07726 180 19 H 1S -0.02238 0.06599 0.01875 -0.21599 0.05040 181 2S -0.04897 0.10159 -0.13870 0.26770 -0.15038 182 20 H 1S -0.02240 -0.06593 0.01878 0.21600 -0.05056 183 2S -0.04913 -0.10152 -0.13867 -0.26765 0.15045 184 21 H 1S 0.07119 -0.06134 -0.01369 -0.17777 0.04471 185 2S 0.07816 -0.30178 -0.09115 0.29974 -0.07715 186 22 O 1S 0.00204 -0.00348 0.00991 0.00061 0.00073 187 2S -0.00895 -0.15345 -0.26555 0.00248 0.07314 188 2PX -0.00305 -0.00243 0.00777 0.02387 -0.01043 189 2PY 0.01055 -0.02151 0.12283 -0.00831 -0.02723 190 2PZ -0.00825 0.00255 -0.02588 0.01997 -0.01380 191 3S -0.01784 0.78861 0.44070 -0.02574 -0.19239 192 3PX 0.02881 -0.01952 0.03096 -0.10817 0.17506 193 3PY 0.00199 -0.14246 -0.11345 0.01812 0.03446 194 3PZ 0.05747 -0.01198 0.10415 0.05385 0.06525 195 4XX 0.01124 0.00601 -0.04090 0.02955 0.07413 196 4YY -0.00576 -0.07496 0.07952 -0.05079 0.02991 197 4ZZ 0.00529 0.06354 -0.01913 0.03033 -0.08846 198 4XY -0.00184 -0.04062 0.00211 -0.00121 -0.21471 199 4XZ -0.00973 0.00594 -0.12516 -0.03872 0.03825 200 4YZ -0.04972 0.06621 -0.08605 -0.30452 0.03111 201 23 O 1S 0.00205 0.00347 0.00991 -0.00062 -0.00072 202 2S -0.00868 0.15343 -0.26558 -0.00243 -0.07275 203 2PX -0.00307 0.00246 0.00778 -0.02387 0.01041 204 2PY -0.01061 -0.02150 -0.12283 -0.00831 -0.02699 205 2PZ -0.00828 -0.00253 -0.02588 -0.01997 0.01382 206 3S -0.01923 -0.78848 0.44086 0.02561 0.19177 207 3PX 0.02898 0.01940 0.03092 0.10817 -0.17527 208 3PY -0.00226 -0.14245 0.11348 0.01811 0.03408 209 3PZ 0.05760 0.01181 0.10412 -0.05385 -0.06504 210 4XX 0.01123 -0.00606 -0.04093 -0.02957 -0.07387 211 4YY -0.00562 0.07499 0.07952 0.05078 -0.03020 212 4ZZ 0.00516 -0.06355 -0.01908 -0.03033 0.08864 213 4XY 0.00177 -0.04064 -0.00214 -0.00122 -0.21514 214 4XZ -0.00976 -0.00596 -0.12517 0.03877 -0.03841 215 4YZ 0.04982 0.06606 0.08596 -0.30450 0.03154 186 187 188 189 190 V V V V V Eigenvalues -- 2.59744 2.62871 2.62891 2.63408 2.65581 1 1 C 1S -0.00027 0.00048 -0.01421 0.00003 0.04085 2 2S 0.12806 -0.00182 0.05458 -0.00009 0.17654 3 2PX 0.03136 -0.00116 0.03504 -0.00006 -0.04494 4 2PY -0.00005 -0.26212 -0.00875 -0.07208 -0.00001 5 2PZ 0.00418 -0.00086 0.02488 -0.00006 -0.05753 6 3S -0.25506 0.00276 -0.08918 0.00014 -0.77121 7 3PX -0.15755 0.00075 -0.02026 0.00007 -0.36863 8 3PY -0.00012 -0.47384 -0.01628 -0.40303 -0.00001 9 3PZ -0.00579 -0.00094 0.02258 -0.00004 -0.12353 10 4XX 0.03127 0.00123 -0.03511 0.00012 0.00818 11 4YY -0.02366 0.00025 -0.00993 -0.00005 0.15581 12 4ZZ -0.05901 -0.00044 0.01413 -0.00003 -0.17492 13 4XY -0.00004 -0.19961 -0.00697 -0.23034 0.00000 14 4XZ -0.01879 -0.00378 0.11301 -0.00018 -0.30803 15 4YZ 0.00000 -0.09799 -0.00387 -0.38075 -0.00001 16 2 H 1S -0.02742 -0.00080 0.02436 -0.00005 -0.02877 17 2S -0.02923 0.00018 -0.00406 0.00002 -0.04074 18 3 H 1S 0.05551 0.00002 -0.00157 -0.00001 0.13685 19 2S 0.02495 -0.00248 0.07396 -0.00013 -0.09791 20 4 C 1S -0.00726 -0.07628 -0.01901 -0.00331 0.02205 21 2S -0.04079 -0.66602 -0.13423 0.14231 -0.00392 22 2PX -0.00337 0.00702 0.02753 -0.07155 -0.08750 23 2PY -0.02156 0.02455 -0.01338 -0.08151 0.02490 24 2PZ 0.02426 0.22185 0.15865 -0.15161 -0.28992 25 3S 0.27776 3.51912 0.81483 -0.96222 -0.68916 26 3PX 0.03579 0.38891 0.16853 -0.35424 -0.19917 27 3PY -0.04953 -1.78784 -0.25518 0.42687 0.17700 28 3PZ 0.03672 0.69335 0.37217 -0.54662 -0.80924 29 4XX -0.01922 -0.23699 -0.07098 0.02342 0.09080 30 4YY -0.03636 0.13973 -0.16742 0.11452 0.45220 31 4ZZ 0.06543 0.20427 0.29982 -0.15858 -0.59410 32 4XY 0.00449 -0.02209 -0.06433 0.20462 0.10487 33 4XZ 0.02634 0.24106 0.12416 0.01642 -0.29717 34 4YZ -0.05743 -0.07972 -0.19847 0.15073 0.30462 35 5 H 1S 0.00270 -0.05484 0.02236 -0.00951 -0.14384 36 2S -0.02769 0.44095 0.05861 -0.09728 -0.05543 37 6 C 1S 0.00481 0.06982 0.02477 -0.07318 -0.04016 38 2S -0.08119 0.23981 -0.04822 -0.23421 0.00896 39 2PX 0.00367 0.03546 0.03716 -0.01967 -0.07061 40 2PY -0.01337 0.09295 -0.06320 -0.32911 0.14167 41 2PZ 0.05467 0.15903 0.18509 -0.04171 -0.32025 42 3S -0.06066 -4.26859 -0.72225 3.29609 1.08793 43 3PX 0.03216 0.42426 0.10037 -0.11167 -0.17259 44 3PY -0.00334 1.26972 -0.02342 -1.26618 0.13621 45 3PZ 0.04352 1.76428 0.38905 -1.00332 -0.64026 46 4XX 0.03008 0.43853 0.13651 -0.47964 -0.22220 47 4YY 0.03104 -0.20095 0.07681 0.64466 -0.10766 48 4ZZ -0.03845 -0.23641 -0.22605 -0.08818 0.40669 49 4XY 0.01623 -0.03931 0.02967 -0.05529 -0.05833 50 4XZ -0.02313 -0.14281 -0.10079 0.07835 0.17110 51 4YZ 0.02528 0.08028 0.12345 0.03855 -0.30017 52 7 H 1S -0.00680 0.06629 0.01102 -0.09076 0.00442 53 2S -0.01376 -0.47342 -0.07596 0.33376 0.13136 54 8 C 1S -0.00721 0.07737 -0.01395 0.00338 0.02205 55 2S -0.04064 0.67346 -0.09054 -0.14196 -0.00394 56 2PX -0.00343 -0.00884 0.02726 0.07142 -0.08748 57 2PY 0.02151 0.02367 0.01472 -0.08157 -0.02488 58 2PZ 0.02404 -0.23189 0.14426 0.15093 -0.28993 59 3S 0.27539 -3.56512 0.58536 0.95927 -0.68918 60 3PX 0.03557 -0.39906 0.14380 0.35357 -0.19911 61 3PY 0.04862 -1.80072 0.13854 0.42599 -0.17700 62 3PZ 0.03600 -0.71661 0.32787 0.54507 -0.80932 63 4XX -0.01901 0.24118 -0.05536 -0.02312 0.09090 64 4YY -0.03641 -0.12828 -0.17669 -0.11391 0.45225 65 4ZZ 0.06529 -0.22375 0.28630 0.15748 -0.59423 66 4XY -0.00452 -0.02625 0.06342 0.20435 -0.10487 67 4XZ 0.02614 -0.24862 0.10797 -0.01691 -0.29711 68 4YZ 0.05729 -0.09281 0.19329 0.14977 -0.30453 69 9 H 1S 0.00278 0.05322 0.02595 0.00950 -0.14388 70 2S -0.02787 -0.44385 0.02981 0.09699 -0.05541 71 10 C 1S 0.00472 -0.07131 0.02041 0.07308 -0.04017 72 2S -0.08153 -0.23609 -0.06286 0.23437 0.00882 73 2PX 0.00364 -0.03786 0.03480 0.01956 -0.07058 74 2PY 0.01364 0.08865 0.06793 -0.32937 -0.14163 75 2PZ 0.05459 -0.17091 0.17433 0.04094 -0.32022 76 3S -0.05630 4.30721 -0.45251 -3.29340 1.08848 77 3PX 0.03177 -0.43014 0.07270 0.11150 -0.17257 78 3PY 0.00471 1.26562 0.10215 -1.26655 -0.13594 79 3PZ 0.04186 -1.78608 0.27617 1.00171 -0.64053 80 4XX 0.02947 -0.44665 0.10922 0.47914 -0.22228 81 4YY 0.03156 0.19544 0.08750 -0.64507 -0.10769 82 4ZZ -0.03832 0.25088 -0.20977 0.08919 0.40678 83 4XY -0.01628 -0.03740 -0.03234 -0.05491 0.05831 84 4XZ -0.02294 0.14916 -0.09145 -0.07791 0.17105 85 4YZ -0.02526 0.08828 -0.11775 0.03892 0.30021 86 11 H 1S -0.00692 -0.06689 0.00698 0.09067 0.00445 87 2S -0.01328 0.47744 -0.04594 -0.33348 0.13143 88 12 C 1S 0.00103 -0.03621 -0.00998 0.01271 -0.00242 89 2S 0.00069 -0.34921 0.11636 0.17039 0.14583 90 2PX 0.01328 -0.04330 0.09275 -0.05273 0.02276 91 2PY 0.00692 0.07403 -0.13366 0.06287 -0.06262 92 2PZ -0.01370 0.00104 0.07401 -0.01521 0.04785 93 3S -0.05896 1.92222 -0.00946 -1.23648 -0.50232 94 3PX 0.01573 -0.22232 -0.05197 -0.22055 -0.16330 95 3PY 0.09331 0.43389 -0.00322 -0.46815 0.26039 96 3PZ 0.04779 0.24497 -0.10647 -0.42804 -0.16931 97 4XX 0.13456 -0.02706 -0.07373 -0.21482 -0.00803 98 4YY -0.03961 0.13210 0.18022 0.10449 0.05176 99 4ZZ -0.08761 -0.04263 -0.20300 0.08996 -0.13245 100 4XY 0.02316 -0.09808 -0.15399 0.00004 -0.06550 101 4XZ 0.04860 -0.08002 -0.07881 -0.08080 -0.09662 102 4YZ 0.03612 0.27169 -0.11797 -0.01637 -0.02045 103 13 C 1S 0.01325 -0.03174 -0.01077 -0.02286 -0.01459 104 2S 0.14201 -0.01522 -0.14656 -0.21383 -0.06300 105 2PX 0.09887 -0.00530 -0.00022 -0.05300 0.00385 106 2PY -0.01454 0.14379 0.01472 0.00815 0.01720 107 2PZ -0.09075 0.09626 -0.02089 0.04241 -0.00814 108 3S -0.22388 0.86688 -0.33263 0.97095 0.19732 109 3PX 0.05236 0.55305 -0.01191 -0.03456 -0.30332 110 3PY -0.15851 0.05621 0.37430 0.85897 0.17171 111 3PZ -0.27580 0.60327 0.04294 0.33864 -0.32054 112 4XX 0.18879 0.06787 -0.23138 -0.12505 -0.07392 113 4YY -0.30892 0.10375 0.45304 0.14910 0.18870 114 4ZZ 0.12429 -0.25153 -0.26080 0.02605 -0.16060 115 4XY -0.42656 0.23317 -0.14600 0.20499 -0.12641 116 4XZ -0.08242 0.16770 -0.35936 0.16394 -0.12605 117 4YZ 0.44045 -0.13873 0.09627 -0.25863 0.09802 118 14 C 1S -0.00301 0.02359 -0.01906 0.00942 -0.01124 119 2S -0.05129 0.34356 0.08047 -0.02188 0.04134 120 2PX 0.02073 -0.01725 -0.06692 0.02449 -0.03395 121 2PY 0.01834 0.09212 -0.14517 0.09312 -0.06358 122 2PZ 0.00792 -0.01542 -0.10567 0.04164 -0.04581 123 3S 0.27249 -1.25449 0.02159 -0.61930 0.23015 124 3PX -0.09389 0.67612 0.06472 0.27022 0.01625 125 3PY -0.09158 0.32043 0.01331 0.13128 -0.10806 126 3PZ -0.07992 0.72448 0.06950 0.40635 0.00467 127 4XX -0.04928 0.09644 -0.17861 0.03070 -0.09625 128 4YY -0.03657 0.12020 0.17734 0.15265 0.07842 129 4ZZ 0.10540 -0.23810 -0.12352 -0.09654 -0.05815 130 4XY -0.03465 0.15690 0.13358 -0.19492 0.05230 131 4XZ 0.07347 -0.22161 -0.09249 -0.06933 -0.03533 132 4YZ -0.03528 -0.22242 0.17292 0.01643 0.06851 133 15 C 1S -0.00299 -0.02228 -0.02064 -0.00935 -0.01125 134 2S -0.05103 -0.34812 0.05734 0.02157 0.04120 135 2PX 0.02078 0.02162 -0.06576 -0.02425 -0.03396 136 2PY -0.01852 0.08229 0.15146 0.09259 0.06364 137 2PZ 0.00792 0.02237 -0.10458 -0.04126 -0.04581 138 3S 0.27046 1.25026 0.10861 0.61932 0.23104 139 3PX -0.09299 -0.67893 0.01795 -0.27050 0.01586 140 3PY 0.09149 0.32051 0.00860 0.13126 0.10779 141 3PZ -0.07886 -0.72746 0.01891 -0.40663 0.00430 142 4XX -0.04923 -0.08444 -0.18461 -0.03001 -0.09616 143 4YY -0.03630 -0.13165 0.16812 -0.15334 0.07833 144 4ZZ 0.10513 0.24577 -0.10697 0.09700 -0.05813 145 4XY 0.03445 0.16543 -0.12368 -0.19443 -0.05233 146 4XZ 0.07326 0.22730 -0.07709 0.06970 -0.03524 147 4YZ 0.03555 -0.21045 -0.18735 0.01710 -0.06858 148 16 C 1S 0.01320 0.03239 -0.00850 0.02291 -0.01456 149 2S 0.14163 0.02491 -0.14413 0.21455 -0.06293 150 2PX 0.09888 0.00531 0.00032 0.05303 0.00383 151 2PY 0.01447 0.14448 -0.00501 0.00822 -0.01716 152 2PZ -0.09073 -0.09464 -0.02738 -0.04236 -0.00812 153 3S -0.22174 -0.84309 -0.39488 -0.97002 0.19632 154 3PX 0.05268 -0.55094 -0.04858 0.03463 -0.30314 155 3PY 0.15714 0.08087 -0.36556 0.86065 -0.17112 156 3PZ -0.27513 -0.60469 0.00110 -0.33884 -0.32048 157 4XX 0.18898 -0.05238 -0.23493 0.12597 -0.07395 158 4YY -0.30871 -0.13353 0.44452 -0.15087 0.18872 159 4ZZ 0.12391 0.26826 -0.24352 -0.02508 -0.16055 160 4XY 0.42674 0.22298 0.16168 0.20465 0.12621 161 4XZ -0.08215 -0.14359 -0.37046 -0.16263 -0.12609 162 4YZ -0.44050 -0.13202 -0.10615 -0.25844 -0.09788 163 17 C 1S 0.00106 0.03679 -0.00762 -0.01268 -0.00244 164 2S 0.00070 0.34072 0.13852 -0.17080 0.14560 165 2PX 0.01323 0.03704 0.09565 0.05240 0.02278 166 2PY -0.00693 0.06504 0.13861 0.06238 0.06265 167 2PZ -0.01378 -0.00591 0.07390 0.01494 0.04784 168 3S -0.06050 -1.91719 -0.13127 1.23678 -0.50112 169 3PX 0.01538 0.22537 -0.03606 0.22081 -0.16298 170 3PY -0.09270 0.43276 0.03015 -0.46821 -0.26054 171 3PZ 0.04737 -0.23738 -0.12054 0.42859 -0.16884 172 4XX 0.13470 0.03190 -0.07099 0.21508 -0.00804 173 4YY -0.03960 -0.14370 0.17053 -0.10517 0.05170 174 4ZZ -0.08769 0.05595 -0.19991 -0.08920 -0.13237 175 4XY -0.02292 -0.10801 0.14705 -0.00048 0.06553 176 4XZ 0.04846 0.08512 -0.07291 0.08114 -0.09655 177 4YZ -0.03648 0.26331 0.13586 -0.01687 0.02047 178 18 H 1S 0.01052 -0.15549 0.11253 -0.02969 0.10024 179 2S 0.05163 -0.02884 -0.08664 -0.08209 -0.06868 180 19 H 1S -0.06883 0.06244 0.13305 -0.03797 0.03420 181 2S 0.03152 -0.15600 -0.10384 -0.03018 -0.06601 182 20 H 1S -0.06881 -0.07114 0.12874 0.03747 0.03422 183 2S 0.03129 0.16253 -0.09297 0.03058 -0.06589 184 21 H 1S 0.01045 0.14769 0.12269 0.02922 0.10021 185 2S 0.05161 0.03451 -0.08427 0.08249 -0.06857 186 22 O 1S 0.00298 -0.00141 -0.00456 0.00235 0.00383 187 2S 0.11892 0.07531 -0.47771 0.13175 -0.21551 188 2PX -0.00661 -0.02537 0.03183 0.00865 0.01455 189 2PY -0.06598 -0.03564 0.26136 -0.01396 0.12400 190 2PZ 0.00573 -0.00735 -0.01949 -0.00662 -0.01700 191 3S -0.23174 -0.00718 0.91666 -0.48292 0.29851 192 3PX -0.19447 0.04927 -0.08276 -0.10065 -0.00824 193 3PY 0.15837 0.07365 -0.40358 0.12869 -0.14392 194 3PZ 0.22252 0.19154 0.06711 0.15752 0.10841 195 4XX 0.15182 0.13896 -0.08428 0.03859 -0.02186 196 4YY -0.22515 -0.15436 0.00914 -0.10216 -0.00661 197 4ZZ 0.12811 0.01632 -0.08806 0.07665 -0.00101 198 4XY 0.43154 0.10491 0.10268 0.22106 0.06364 199 4XZ -0.11460 -0.05488 0.07707 -0.04975 0.02572 200 4YZ -0.44258 -0.21893 -0.09772 -0.27854 -0.10728 201 23 O 1S 0.00298 0.00171 -0.00446 -0.00233 0.00384 202 2S 0.11915 -0.04342 -0.48235 -0.12989 -0.21562 203 2PX -0.00662 0.02321 0.03344 -0.00878 0.01456 204 2PY 0.06604 -0.01821 -0.26327 -0.01296 -0.12403 205 2PZ 0.00572 0.00863 -0.01893 0.00669 -0.01700 206 3S -0.23237 -0.05372 0.91738 0.47932 0.29877 207 3PX -0.19433 -0.04374 -0.08563 0.10088 -0.00832 208 3PY -0.15854 0.04669 0.40817 0.12710 0.14396 209 3PZ 0.22264 -0.19557 0.05361 -0.15766 0.10849 210 4XX 0.15199 -0.13307 -0.09346 -0.03823 -0.02181 211 4YY -0.22526 0.15340 0.01975 0.10203 -0.00667 212 4ZZ 0.12808 -0.01044 -0.08927 -0.07626 -0.00098 213 4XY -0.43132 0.11136 -0.09484 0.22122 -0.06378 214 4XZ -0.11463 0.04969 0.08071 0.04945 0.02568 215 4YZ 0.44267 -0.22490 0.08196 -0.27870 0.10740 191 192 193 194 195 V V V V V Eigenvalues -- 2.66894 2.68095 2.71163 2.76375 2.83236 1 1 C 1S 0.00001 0.03252 0.00000 0.00000 0.00001 2 2S -0.00005 -0.06677 0.00002 0.00003 0.00007 3 2PX -0.00003 -0.09875 0.00000 0.00000 0.00001 4 2PY -0.30961 0.00019 -0.10340 0.04329 -0.03226 5 2PZ -0.00006 -0.07146 -0.00002 0.00000 -0.00001 6 3S -0.00030 -0.53161 -0.00012 -0.00021 -0.00026 7 3PX 0.00014 -0.00015 0.00000 -0.00008 -0.00014 8 3PY -0.88726 0.00057 -0.29789 -0.00100 -0.12352 9 3PZ -0.00015 -0.07189 -0.00005 -0.00013 -0.00010 10 4XX 0.00018 0.14674 0.00000 0.00002 0.00006 11 4YY -0.00036 -0.63220 -0.00002 -0.00002 0.00000 12 4ZZ 0.00021 0.52981 0.00001 -0.00001 -0.00007 13 4XY -0.46972 0.00040 -0.12575 -0.02491 -0.10243 14 4XZ 0.00006 0.08987 -0.00002 -0.00001 -0.00003 15 4YZ -0.48214 0.00022 -0.05795 -0.02701 -0.11797 16 2 H 1S 0.00000 -0.00206 0.00001 0.00000 -0.00002 17 2S 0.00007 0.07807 0.00000 0.00000 -0.00003 18 3 H 1S -0.00013 -0.24342 -0.00001 0.00001 0.00005 19 2S 0.00006 0.11560 0.00001 -0.00006 -0.00004 20 4 C 1S -0.07442 0.01339 -0.03651 0.01588 0.01655 21 2S -0.24323 -0.00592 -0.37010 0.30861 0.06695 22 2PX -0.03190 -0.05481 -0.00010 -0.01074 -0.08081 23 2PY -0.10576 -0.01033 0.02457 -0.06021 -0.05452 24 2PZ 0.11181 -0.13826 0.04367 0.06147 0.01293 25 3S 2.59955 -0.39274 1.42508 -0.68336 -0.29475 26 3PX -0.04348 -0.16902 0.25204 -0.25599 -0.21361 27 3PY -1.30938 -0.00606 -0.66918 0.44111 0.28777 28 3PZ 0.37848 -0.48396 0.14767 -0.07467 -0.16019 29 4XX -0.22754 0.27153 0.00457 -0.09078 -0.07973 30 4YY 0.21125 -0.33334 0.03166 -0.01637 0.13320 31 4ZZ 0.01780 0.06979 0.03362 0.05693 -0.00015 32 4XY 0.19471 0.20433 -0.00369 0.07476 0.11113 33 4XZ 0.28288 0.18250 0.06622 0.05607 0.05752 34 4YZ 0.07488 0.54516 0.02156 -0.06194 0.02260 35 5 H 1S -0.06384 0.31855 -0.02107 0.00092 -0.07035 36 2S 0.37041 -0.16886 0.18839 -0.14779 -0.08080 37 6 C 1S 0.01810 -0.02363 0.00068 0.00856 0.00846 38 2S 0.29780 0.02437 0.03680 0.09026 0.03306 39 2PX 0.02402 -0.04181 0.01403 0.01614 -0.01633 40 2PY -0.15005 -0.06782 -0.04707 -0.03342 0.00948 41 2PZ 0.06022 -0.06632 0.05034 0.01456 -0.03276 42 3S -2.10729 0.66334 -0.72425 0.06356 0.06848 43 3PX 0.35381 -0.07496 0.05652 -0.05770 0.03091 44 3PY 0.32157 0.21145 -0.02983 0.07249 0.11109 45 3PZ 1.28340 -0.29849 0.42744 -0.10249 0.05970 46 4XX 0.07398 -0.09603 -0.00543 0.04288 0.03556 47 4YY 0.30099 -0.22541 0.09997 0.03835 0.00821 48 4ZZ -0.38308 0.33416 -0.09829 -0.09773 -0.00801 49 4XY -0.07711 0.01278 -0.02573 0.07764 0.01059 50 4XZ -0.08374 0.23603 0.01688 -0.06586 0.01489 51 4YZ 0.10657 0.14847 0.10549 -0.00944 -0.06528 52 7 H 1S 0.00414 -0.20033 -0.02795 0.04306 0.00589 53 2S -0.26775 0.08386 -0.02559 -0.00715 -0.07160 54 8 C 1S 0.07443 0.01330 0.03651 -0.01588 -0.01656 55 2S 0.24320 -0.00625 0.37004 -0.30863 -0.06690 56 2PX 0.03189 -0.05486 0.00007 0.01077 0.08085 57 2PY -0.10568 0.01045 0.02460 -0.06021 -0.05450 58 2PZ -0.11187 -0.13815 -0.04366 -0.06150 -0.01295 59 3S -2.59939 -0.38989 -1.42496 0.68362 0.29504 60 3PX 0.04357 -0.16907 -0.25200 0.25590 0.21355 61 3PY -1.30919 0.00753 -0.66916 0.44145 0.28804 62 3PZ -0.37885 -0.48374 -0.14780 0.07482 0.16037 63 4XX 0.22767 0.27132 -0.00460 0.09078 0.07965 64 4YY -0.21153 -0.33307 -0.03158 0.01633 -0.13314 65 4ZZ -0.01759 0.06975 -0.03363 -0.05685 0.00018 66 4XY 0.19466 -0.20456 -0.00365 0.07474 0.11112 67 4XZ -0.28256 0.18287 -0.06622 -0.05601 -0.05745 68 4YZ 0.07438 -0.54533 0.02150 -0.06195 0.02265 69 9 H 1S 0.06410 0.31846 0.02103 -0.00085 0.07035 70 2S -0.37052 -0.16845 -0.18840 0.14786 0.08089 71 10 C 1S -0.01811 -0.02362 -0.00068 -0.00856 -0.00846 72 2S -0.29777 0.02450 -0.03673 -0.09044 -0.03316 73 2PX -0.02401 -0.04178 -0.01402 -0.01612 0.01634 74 2PY -0.14992 0.06799 -0.04704 -0.03341 0.00947 75 2PZ -0.06020 -0.06623 -0.05036 -0.01449 0.03282 76 3S 2.10745 0.66188 0.72418 -0.06356 -0.06858 77 3PX -0.35382 -0.07453 -0.05650 0.05773 -0.03088 78 3PY 0.32141 -0.21147 -0.02987 0.07251 0.11114 79 3PZ -1.28338 -0.29746 -0.42740 0.10247 -0.05967 80 4XX -0.07395 -0.09607 0.00543 -0.04290 -0.03553 81 4YY -0.30122 -0.22503 -0.10002 -0.03830 -0.00816 82 4ZZ 0.38329 0.33383 0.09832 0.09775 0.00796 83 4XY -0.07710 -0.01272 -0.02571 0.07763 0.01059 84 4XZ 0.08386 0.23595 -0.01687 0.06582 -0.01494 85 4YZ 0.10630 -0.14883 0.10548 -0.00946 -0.06528 86 11 H 1S -0.00432 -0.20046 0.02793 -0.04307 -0.00586 87 2S 0.26777 0.08372 0.02559 0.00715 0.07159 88 12 C 1S -0.01644 -0.00455 -0.02625 0.06282 0.10759 89 2S 0.00368 -0.03171 -0.62722 0.84344 0.85301 90 2PX -0.01010 0.00948 0.04591 -0.10181 -0.08164 91 2PY -0.04514 -0.03781 -0.22024 -0.08260 -0.21030 92 2PZ 0.04114 0.01260 -0.00239 0.02940 0.05003 93 3S 0.93992 0.15121 2.19415 -5.62331 -6.13531 94 3PX 0.37156 0.12308 0.62222 -0.74764 -1.65438 95 3PY -0.05967 0.04417 -0.41423 -2.35630 -0.62887 96 3PZ 0.44304 0.11459 1.15178 -1.59321 -2.18525 97 4XX 0.17563 -0.01008 0.25362 0.04289 0.11494 98 4YY -0.13241 0.02597 -0.42249 -0.21767 -0.50930 99 4ZZ -0.13277 -0.01253 0.27319 -0.07270 0.22853 100 4XY -0.08976 -0.02940 -0.27153 -0.20974 0.34636 101 4XZ 0.00212 0.02881 0.28061 -0.21002 -0.34628 102 4YZ -0.12227 -0.03608 -0.08638 -0.39366 0.21867 103 13 C 1S 0.03695 0.00877 0.06326 -0.08999 -0.03949 104 2S 0.32810 0.07066 0.09370 -0.73996 -0.40960 105 2PX 0.05485 0.01771 0.03535 0.05690 -0.26232 106 2PY -0.08732 -0.00267 -0.22822 0.19114 0.15295 107 2PZ -0.00827 0.00705 0.03048 0.11062 -0.22306 108 3S -1.70147 -0.33853 -2.01350 3.96038 1.70335 109 3PX 0.18587 -0.00969 0.59101 0.21695 -2.21702 110 3PY -0.76715 -0.31992 -0.86841 3.28261 1.58273 111 3PZ -0.19355 -0.08318 0.30833 0.84542 -1.79978 112 4XX 0.14716 -0.01110 0.02593 -0.14257 0.07417 113 4YY -0.16713 0.01905 0.00232 0.16069 0.00351 114 4ZZ 0.00696 -0.02227 0.03480 -0.10776 -0.10688 115 4XY -0.24959 -0.02644 0.24567 -0.11784 -0.20638 116 4XZ -0.19186 -0.09616 -0.20148 0.17201 0.08191 117 4YZ 0.10215 0.01100 -0.12353 0.20183 -0.13809 118 14 C 1S -0.04199 -0.00888 0.02150 0.09177 -0.03500 119 2S -0.15485 0.00611 -0.14390 0.47159 -0.06819 120 2PX -0.01822 -0.02675 -0.02129 0.01354 0.02997 121 2PY 0.06407 -0.04383 -0.38938 -0.25475 0.08013 122 2PZ -0.04880 -0.02395 -0.01786 0.03882 0.04144 123 3S 2.08650 0.21273 -0.48476 -6.46582 0.16041 124 3PX -0.58753 -0.07617 -0.34907 1.93029 -0.36308 125 3PY 0.57900 0.01802 -0.60940 -1.91319 -1.53100 126 3PZ -0.62322 -0.10147 -0.31422 2.10928 -0.65987 127 4XX -0.13088 -0.03546 0.32880 0.20748 -0.13901 128 4YY 0.13236 0.01100 -0.62950 -0.46795 0.13538 129 4ZZ -0.01419 -0.00894 0.24411 0.19700 -0.05969 130 4XY -0.03978 0.02238 0.27493 -0.08383 0.36195 131 4XZ 0.24563 0.02678 0.09381 -0.34810 0.12025 132 4YZ -0.16116 0.02713 0.27512 -0.03128 0.43439 133 15 C 1S 0.04198 -0.00890 -0.02151 -0.09177 0.03500 134 2S 0.15489 0.00597 0.14396 -0.47160 0.06819 135 2PX 0.01815 -0.02676 0.02130 -0.01350 -0.03001 136 2PY 0.06416 0.04377 -0.38929 -0.25475 0.08015 137 2PZ 0.04873 -0.02399 0.01781 -0.03882 -0.04147 138 3S -2.08630 0.21434 0.48477 6.46596 -0.16032 139 3PX 0.58737 -0.07657 0.34918 -1.93011 0.36320 140 3PY 0.57902 -0.01865 -0.60935 -1.91347 -1.53101 141 3PZ 0.62312 -0.10186 0.31428 -2.10934 0.65981 142 4XX 0.13083 -0.03552 -0.32895 -0.20745 0.13895 143 4YY -0.13234 0.01111 0.62966 0.46790 -0.13531 144 4ZZ 0.01415 -0.00895 -0.24422 -0.19697 0.05968 145 4XY -0.03981 -0.02228 0.27471 -0.08390 0.36196 146 4XZ -0.24557 0.02693 -0.09390 0.34813 -0.12027 147 4YZ -0.16125 -0.02695 0.27500 -0.03124 0.43435 148 16 C 1S -0.03692 0.00879 -0.06326 0.09000 0.03949 149 2S -0.32801 0.07083 -0.09384 0.74010 0.40967 150 2PX -0.05481 0.01779 -0.03535 -0.05691 0.26233 151 2PY -0.08728 0.00273 -0.22828 0.19112 0.15301 152 2PZ 0.00829 0.00709 -0.03047 -0.11064 0.22308 153 3S 1.70062 -0.33979 2.01329 -3.96054 -1.70377 154 3PX -0.18557 -0.00947 -0.59089 -0.21731 2.21682 155 3PY -0.76680 0.32064 -0.86886 3.28307 1.58342 156 3PZ 0.19365 -0.08317 -0.30834 -0.84551 1.79999 157 4XX -0.14719 -0.01100 -0.02613 0.14260 -0.07406 158 4YY 0.16722 0.01897 -0.00197 -0.16081 -0.00357 159 4ZZ -0.00698 -0.02225 -0.03493 0.10785 0.10678 160 4XY -0.24966 0.02656 0.24561 -0.11780 -0.20631 161 4XZ 0.19158 -0.09627 0.20128 -0.17202 -0.08197 162 4YZ 0.10222 -0.01105 -0.12346 0.20180 -0.13810 163 17 C 1S 0.01642 -0.00458 0.02623 -0.06281 -0.10759 164 2S -0.00382 -0.03184 0.62727 -0.84338 -0.85302 165 2PX 0.01011 0.00946 -0.04588 0.10181 0.08167 166 2PY -0.04502 0.03781 -0.22019 -0.08260 -0.21024 167 2PZ -0.04110 0.01261 0.00245 -0.02940 -0.04998 168 3S -0.93935 0.15294 -2.19408 5.62326 6.13571 169 3PX -0.37124 0.12340 -0.62223 0.74765 1.65428 170 3PY -0.05971 -0.04449 -0.41427 -2.35625 -0.62860 171 3PZ -0.44281 0.11517 -1.15188 1.59354 2.18553 172 4XX -0.17564 -0.00998 -0.25359 -0.04296 -0.11506 173 4YY 0.13252 0.02595 0.42254 0.21759 0.50937 174 4ZZ 0.13272 -0.01268 -0.27334 0.07288 -0.22847 175 4XY -0.08964 0.02952 -0.27142 -0.20971 0.34643 176 4XZ -0.00200 0.02880 -0.28064 0.21011 0.34629 177 4YZ -0.12217 0.03621 -0.08640 -0.39375 0.21862 178 18 H 1S 0.12256 0.03138 -0.07275 0.23993 -0.05123 179 2S -0.02366 0.00957 0.10732 -0.55068 -0.40520 180 19 H 1S -0.13347 0.01222 0.14908 -0.02570 0.13548 181 2S 0.24449 0.02284 -0.05114 -0.71126 -0.11077 182 20 H 1S 0.13351 0.01209 -0.14901 0.02569 -0.13547 183 2S -0.24448 0.02304 0.05107 0.71128 0.11080 184 21 H 1S -0.12249 0.03149 0.07281 -0.24003 0.05117 185 2S 0.02365 0.00962 -0.10744 0.55086 0.40530 186 22 O 1S 0.00041 0.00142 0.00409 -0.01660 -0.00694 187 2S -0.10126 0.01067 -0.20253 0.53918 0.27592 188 2PX 0.00779 0.00943 -0.01368 -0.02652 0.06426 189 2PY 0.03232 0.01688 0.03481 -0.09971 -0.01373 190 2PZ 0.00425 -0.00637 -0.00822 -0.01948 0.05740 191 3S 0.22241 -0.13819 0.41201 -1.54141 -0.91008 192 3PX 0.11375 -0.01273 0.01687 0.22637 -0.37772 193 3PY -0.09087 0.01973 -0.12800 0.42949 0.31660 194 3PZ -0.09370 0.02608 0.12911 0.06829 -0.43256 195 4XX -0.08319 0.01019 0.02267 -0.01487 0.08164 196 4YY 0.17118 -0.01094 0.02739 -0.22252 -0.21360 197 4ZZ -0.08905 -0.00340 -0.01032 0.05880 0.00764 198 4XY -0.24985 0.02395 0.13798 -0.17693 0.10068 199 4XZ 0.03136 0.01232 0.00189 0.05768 0.04212 200 4YZ 0.11663 -0.02841 -0.12889 0.02714 0.17904 201 23 O 1S -0.00042 0.00142 -0.00409 0.01660 0.00694 202 2S 0.10120 0.01059 0.20221 -0.53902 -0.27586 203 2PX -0.00777 0.00944 0.01371 0.02651 -0.06428 204 2PY 0.03226 -0.01691 0.03467 -0.09966 -0.01374 205 2PZ -0.00425 -0.00638 0.00820 0.01949 -0.05738 206 3S -0.22235 -0.13796 -0.41128 1.54101 0.90985 207 3PX -0.11380 -0.01266 -0.01689 -0.22636 0.37773 208 3PY -0.09082 -0.01967 -0.12768 0.42934 0.31659 209 3PZ 0.09366 0.02608 -0.12909 -0.06829 0.43248 210 4XX 0.08322 0.01016 -0.02280 0.01490 -0.08167 211 4YY -0.17125 -0.01086 -0.02727 0.22246 0.21359 212 4ZZ 0.08902 -0.00343 0.01025 -0.05879 -0.00764 213 4XY -0.24983 -0.02379 0.13801 -0.17694 0.10061 214 4XZ -0.03131 0.01232 -0.00181 -0.05769 -0.04212 215 4YZ 0.11659 0.02840 -0.12891 0.02715 0.17899 196 197 198 199 200 V V V V V Eigenvalues -- 2.91142 2.95535 2.96970 2.97906 3.01623 1 1 C 1S 0.00000 0.00000 -0.00045 -0.00363 0.00000 2 2S -0.00002 0.00001 0.02534 -0.08944 -0.00002 3 2PX 0.00002 0.00000 0.01740 -0.02034 -0.00001 4 2PY -0.28612 0.04683 0.00003 0.00000 0.03594 5 2PZ -0.00003 0.00001 0.00003 -0.01062 0.00001 6 3S -0.00006 0.00005 0.06241 0.07955 0.00014 7 3PX 0.00011 0.00002 -0.06561 0.06531 0.00005 8 3PY -0.96665 -0.02883 0.00007 0.00002 0.13526 9 3PZ -0.00011 0.00000 0.06872 0.03820 0.00010 10 4XX 0.00008 -0.00003 0.00076 0.02004 -0.00002 11 4YY -0.00004 0.00011 -0.00042 0.01061 0.00000 12 4ZZ -0.00004 -0.00009 -0.01263 -0.00163 0.00002 13 4XY -0.43719 0.14173 0.00005 0.00000 0.06713 14 4XZ 0.00001 -0.00001 0.00526 -0.00155 0.00002 15 4YZ -0.42044 -0.02632 0.00003 0.00000 0.05559 16 2 H 1S 0.00001 -0.00001 -0.01614 -0.01377 0.00000 17 2S 0.00001 0.00000 -0.03137 0.03786 0.00001 18 3 H 1S -0.00001 0.00004 0.01827 -0.00063 -0.00001 19 2S -0.00002 -0.00001 0.00350 0.02080 0.00004 20 4 C 1S -0.00977 -0.00632 -0.00046 -0.00006 -0.01157 21 2S -0.22234 -0.35145 -0.01063 -0.11043 0.10534 22 2PX -0.11623 -0.03330 -0.00728 -0.01626 0.06523 23 2PY 0.02502 0.03898 -0.00911 0.01794 0.01021 24 2PZ -0.31920 -0.08812 -0.00419 0.00382 0.01747 25 3S 0.13685 0.78848 -0.00324 0.12048 0.08480 26 3PX -0.42466 0.18310 0.05108 0.09713 0.06591 27 3PY -0.58157 -0.45781 0.07019 -0.07252 -0.11637 28 3PZ -0.93093 0.12425 -0.01556 0.02102 0.25716 29 4XX 0.10260 0.02245 0.01324 0.03944 -0.01521 30 4YY 0.26754 0.39123 0.00355 0.00284 -0.09647 31 4ZZ -0.40949 -0.32514 -0.01696 0.01214 0.01862 32 4XY 0.28785 -0.12152 0.00071 -0.00574 -0.07817 33 4XZ -0.04136 -0.10522 0.00257 -0.00833 -0.00081 34 4YZ 0.49123 -0.32657 -0.00797 -0.00241 -0.04432 35 5 H 1S 0.04021 -0.23223 -0.01457 -0.00314 0.04583 36 2S 0.06243 0.23103 -0.02379 0.03838 0.05684 37 6 C 1S 0.00069 0.00258 -0.00075 0.00295 -0.00953 38 2S 0.01574 0.18521 -0.01082 0.00811 -0.01858 39 2PX -0.05355 0.00914 -0.00757 -0.00740 0.01914 40 2PY 0.39993 -0.04875 -0.00658 -0.02075 -0.06652 41 2PZ -0.23878 0.01326 -0.00204 0.00545 0.02695 42 3S -0.43022 -0.83590 0.03741 -0.06577 0.24693 43 3PX -0.09960 0.01305 -0.00106 0.01521 0.03774 44 3PY 1.16505 0.25355 0.01159 0.05949 -0.36988 45 3PZ -0.61333 0.35642 -0.01622 0.06590 0.10540 46 4XX 0.03565 -0.00830 0.00139 0.01786 -0.04054 47 4YY -0.71094 0.20285 -0.00556 -0.00656 0.12636 48 4ZZ 0.63252 -0.21214 0.01073 0.00339 -0.10379 49 4XY -0.10802 -0.24332 0.00222 0.00223 -0.02071 50 4XZ 0.16487 -0.08644 0.00821 0.00750 -0.03278 51 4YZ -0.26153 -0.81290 0.00029 -0.00639 0.06161 52 7 H 1S 0.01969 0.39581 -0.01030 -0.01591 0.00273 53 2S -0.04451 -0.26187 0.00463 -0.01923 0.01677 54 8 C 1S 0.00977 0.00631 -0.00046 -0.00007 0.01157 55 2S 0.22227 0.35145 -0.01055 -0.11050 -0.10533 56 2PX 0.11619 0.03328 -0.00728 -0.01626 -0.06523 57 2PY 0.02498 0.03898 0.00911 -0.01795 0.01021 58 2PZ 0.31912 0.08811 -0.00421 0.00381 -0.01745 59 3S -0.13689 -0.78848 -0.00333 0.12066 -0.08494 60 3PX 0.42469 -0.18303 0.05097 0.09719 -0.06586 61 3PY -0.58155 -0.45786 -0.07013 0.07263 -0.11660 62 3PZ 0.93082 -0.12424 -0.01567 0.02095 -0.25732 63 4XX -0.10269 -0.02251 0.01324 0.03947 0.01524 64 4YY -0.26755 -0.39105 0.00347 0.00284 0.09645 65 4ZZ 0.40957 0.32498 -0.01693 0.01211 -0.01866 66 4XY 0.28787 -0.12143 -0.00079 0.00575 -0.07817 67 4XZ 0.04127 0.10520 0.00261 -0.00837 0.00077 68 4YZ 0.49105 -0.32649 0.00781 0.00239 -0.04432 69 9 H 1S -0.04017 0.23209 -0.01448 -0.00314 -0.04585 70 2S -0.06244 -0.23099 -0.02381 0.03839 -0.05692 71 10 C 1S -0.00068 -0.00258 -0.00075 0.00295 0.00953 72 2S -0.01568 -0.18517 -0.01087 0.00814 0.01865 73 2PX 0.05345 -0.00913 -0.00758 -0.00741 -0.01912 74 2PY 0.39992 -0.04880 0.00652 0.02072 -0.06652 75 2PZ 0.23875 -0.01329 -0.00207 0.00543 -0.02698 76 3S 0.43031 0.83581 0.03750 -0.06602 -0.24684 77 3PX 0.09937 -0.01308 -0.00103 0.01519 -0.03771 78 3PY 1.16493 0.25358 -0.01170 -0.05967 -0.36989 79 3PZ 0.61341 -0.35635 -0.01633 0.06592 -0.10548 80 4XX -0.03561 0.00837 0.00140 0.01787 0.04052 81 4YY 0.71092 -0.20275 -0.00570 -0.00662 -0.12640 82 4ZZ -0.63248 0.21195 0.01086 0.00343 0.10380 83 4XY -0.10816 -0.24325 -0.00227 -0.00223 -0.02068 84 4XZ -0.16478 0.08653 0.00824 0.00751 0.03280 85 4YZ -0.26141 -0.81284 -0.00049 0.00643 0.06159 86 11 H 1S -0.01972 -0.39577 -0.01041 -0.01591 -0.00274 87 2S 0.04452 0.26184 0.00467 -0.01925 -0.01674 88 12 C 1S -0.02570 -0.01679 0.01318 -0.01788 -0.06290 89 2S -0.15022 -0.23228 -0.10902 0.27562 -0.41654 90 2PX 0.01471 0.01719 -0.09760 0.06105 0.05217 91 2PY 0.01168 0.01100 0.00103 0.00496 0.02005 92 2PZ 0.00557 -0.01523 -0.08784 0.08374 -0.01367 93 3S 1.01949 1.08924 0.00667 -0.06473 3.64049 94 3PX 0.15018 0.10213 -0.08676 0.12998 1.12135 95 3PY -0.16692 0.06170 -0.00101 -0.14840 0.97890 96 3PZ 0.25828 0.43793 -0.10649 0.00816 1.32202 97 4XX 0.01508 0.02830 -0.08481 0.04817 -0.03470 98 4YY 0.04617 0.01319 0.10708 -0.17972 0.16586 99 4ZZ -0.07280 0.01964 -0.05011 0.03130 -0.10450 100 4XY -0.10613 -0.04410 0.08270 -0.08819 -0.06304 101 4XZ 0.06121 0.02734 -0.15727 0.17587 0.22975 102 4YZ -0.02648 -0.00440 0.09563 -0.08298 -0.06021 103 13 C 1S 0.00335 0.00625 -0.01039 -0.00300 0.04056 104 2S -0.13035 0.07898 -0.48718 -0.69306 -0.60890 105 2PX 0.00080 0.02304 -0.14290 -0.05296 -0.09414 106 2PY 0.10182 0.00619 0.52792 0.69887 0.74557 107 2PZ 0.03456 0.03038 -0.00977 0.11104 0.08576 108 3S -0.37508 -0.47485 -0.76433 -1.19248 -4.29027 109 3PX 0.55239 0.30208 0.02582 -0.13938 0.23933 110 3PY 0.20964 -0.26266 0.55844 0.63686 -0.84226 111 3PZ 0.53310 0.13829 0.08835 -0.00048 0.02380 112 4XX 0.01539 -0.01662 0.26381 0.17284 0.26603 113 4YY -0.03603 -0.02257 -0.38559 -0.45189 -0.51073 114 4ZZ 0.03352 0.00572 0.08736 0.29905 0.30139 115 4XY 0.05596 0.01700 -0.41734 0.46038 0.19636 116 4XZ -0.04530 -0.03423 0.01165 -0.05271 -0.21287 117 4YZ 0.02238 -0.00478 -0.54240 0.30049 -0.09837 118 14 C 1S 0.00802 -0.00019 -0.00849 0.00654 -0.05063 119 2S 0.07611 0.07662 0.14019 -0.08443 -0.30558 120 2PX 0.00139 -0.02249 -0.08711 0.06674 0.01441 121 2PY -0.02007 -0.03974 0.01522 0.00112 0.03658 122 2PZ -0.00333 -0.01306 -0.09470 0.07334 -0.01220 123 3S -0.56529 -0.05658 -0.00505 0.12047 3.34642 124 3PX 0.20472 0.03121 -0.03013 0.03342 -1.09918 125 3PY 0.16376 0.07594 -0.17879 -0.07472 1.08877 126 3PZ 0.29147 0.02592 -0.03381 0.02268 -1.17730 127 4XX 0.01853 0.00785 0.09884 -0.03016 -0.08394 128 4YY -0.03601 -0.06954 -0.17039 0.05990 0.13786 129 4ZZ -0.00333 0.00098 0.13001 -0.05121 -0.04834 130 4XY 0.00069 0.02357 0.09507 -0.05098 0.04295 131 4XZ -0.03707 -0.00756 0.18107 -0.08887 0.17309 132 4YZ -0.01748 -0.01704 0.09087 -0.05655 0.01310 133 15 C 1S -0.00802 0.00019 -0.00850 0.00655 0.05063 134 2S -0.07608 -0.07665 0.14013 -0.08437 0.30563 135 2PX -0.00140 0.02252 -0.08709 0.06672 -0.01444 136 2PY -0.02007 -0.03974 -0.01528 -0.00104 0.03656 137 2PZ 0.00332 0.01309 -0.09470 0.07332 0.01218 138 3S 0.56533 0.05657 -0.00448 0.11968 -3.34652 139 3PX -0.20473 -0.03120 -0.03032 0.03362 1.09905 140 3PY 0.16379 0.07590 0.17855 0.07494 1.08896 141 3PZ -0.29148 -0.02588 -0.03398 0.02293 1.17733 142 4XX -0.01853 -0.00789 0.09881 -0.03011 0.08395 143 4YY 0.03599 0.06960 -0.17031 0.05978 -0.13789 144 4ZZ 0.00335 -0.00103 0.12998 -0.05116 0.04837 145 4XY 0.00067 0.02358 -0.09507 0.05095 0.04294 146 4XZ 0.03710 0.00751 0.18109 -0.08889 -0.17305 147 4YZ -0.01749 -0.01701 -0.09089 0.05654 0.01307 148 16 C 1S -0.00335 -0.00625 -0.01039 -0.00300 -0.04057 149 2S 0.13021 -0.07883 -0.48730 -0.69292 0.60887 150 2PX -0.00083 -0.02301 -0.14290 -0.05285 0.09403 151 2PY 0.10172 0.00631 -0.52809 -0.69868 0.74561 152 2PZ -0.03456 -0.03037 -0.00980 0.11104 -0.08578 153 3S 0.37512 0.47497 -0.76509 -1.19191 4.29053 154 3PX -0.55249 -0.30199 0.02593 -0.13915 -0.23915 155 3PY 0.20946 -0.26265 -0.55846 -0.63685 -0.84252 156 3PZ -0.53319 -0.13832 0.08843 -0.00036 -0.02381 157 4XX -0.01536 0.01653 0.26377 0.17290 -0.26608 158 4YY 0.03600 0.02267 -0.38558 -0.45188 0.51082 159 4ZZ -0.03349 -0.00574 0.08740 0.29900 -0.30142 160 4XY 0.05601 0.01685 0.41736 -0.46024 0.19643 161 4XZ 0.04531 0.03421 0.01156 -0.05268 0.21292 162 4YZ 0.02247 -0.00494 0.54242 -0.30049 -0.09816 163 17 C 1S 0.02570 0.01678 0.01317 -0.01788 0.06291 164 2S 0.15024 0.23230 -0.10905 0.27553 0.41643 165 2PX -0.01474 -0.01716 -0.09760 0.06105 -0.05222 166 2PY 0.01167 0.01101 -0.00106 -0.00496 0.02004 167 2PZ -0.00560 0.01526 -0.08787 0.08377 0.01360 168 3S -1.01970 -1.08914 0.00712 -0.06461 -3.64064 169 3PX -0.15018 -0.10212 -0.08652 0.12977 -1.12131 170 3PY -0.16706 0.06169 0.00097 0.14851 0.97871 171 3PZ -0.25833 -0.43791 -0.10631 0.00812 -1.32224 172 4XX -0.01505 -0.02825 -0.08478 0.04815 0.03474 173 4YY -0.04617 -0.01322 0.10707 -0.17967 -0.16580 174 4ZZ 0.07277 -0.01965 -0.05019 0.03137 0.10441 175 4XY -0.10613 -0.04407 -0.08274 0.08827 -0.06310 176 4XZ -0.06124 -0.02730 -0.15722 0.17584 -0.22982 177 4YZ -0.02650 -0.00437 -0.09568 0.08302 -0.06022 178 18 H 1S -0.03377 -0.03055 -0.01533 0.00498 0.03945 179 2S 0.01219 0.06938 -0.05632 0.04976 0.38793 180 19 H 1S 0.01374 0.01457 -0.02526 -0.01477 0.02904 181 2S -0.03980 -0.00860 0.03771 -0.03520 0.45856 182 20 H 1S -0.01375 -0.01456 -0.02523 -0.01477 -0.02905 183 2S 0.03980 0.00857 0.03778 -0.03529 -0.45855 184 21 H 1S 0.03381 0.03056 -0.01532 0.00495 -0.03941 185 2S -0.01217 -0.06938 -0.05627 0.04969 -0.38805 186 22 O 1S 0.00647 0.00185 -0.00479 -0.00771 0.01429 187 2S 0.12247 -0.02163 -0.36433 -0.47178 0.53480 188 2PX -0.00697 -0.01038 -0.02803 -0.01343 0.00974 189 2PY 0.01183 0.00614 -0.12548 -0.17787 0.18047 190 2PZ -0.01708 0.00114 -0.00153 0.02932 -0.01406 191 3S -0.47064 0.06281 1.33236 1.76006 -1.82889 192 3PX 0.13240 0.06393 -0.29244 -0.02246 0.20875 193 3PY 0.22655 -0.00148 -0.76793 -1.04400 1.27658 194 3PZ 0.08796 0.02179 -0.09621 0.22081 -0.11139 195 4XX 0.07050 0.00805 -0.12763 -0.33370 0.35281 196 4YY -0.13240 -0.00301 0.61060 0.87027 -0.98301 197 4ZZ 0.06472 0.01019 -0.26635 -0.25227 0.36167 198 4XY -0.06344 -0.02358 0.46769 -0.04374 -0.20713 199 4XZ -0.00421 0.00330 -0.00742 -0.03542 0.00013 200 4YZ -0.01521 -0.00908 0.23268 -0.36846 0.14910 201 23 O 1S -0.00647 -0.00185 -0.00479 -0.00771 -0.01428 202 2S -0.12253 0.02169 -0.36417 -0.47191 -0.53483 203 2PX 0.00696 0.01039 -0.02804 -0.01346 -0.00975 204 2PY 0.01185 0.00611 0.12547 0.17791 0.18047 205 2PZ 0.01707 -0.00113 -0.00153 0.02932 0.01405 206 3S 0.47088 -0.06303 1.33186 1.76050 1.82892 207 3PX -0.13245 -0.06387 -0.29248 -0.02254 -0.20897 208 3PY 0.22667 -0.00164 0.76761 1.04428 1.27653 209 3PZ -0.08795 -0.02175 -0.09621 0.22090 0.11136 210 4XX -0.07054 -0.00802 -0.12747 -0.33378 -0.35270 211 4YY 0.13250 0.00286 0.61033 0.87050 0.98295 212 4ZZ -0.06478 -0.01012 -0.26628 -0.25232 -0.36164 213 4XY -0.06353 -0.02346 -0.46776 0.04361 -0.20737 214 4XZ 0.00422 -0.00329 -0.00741 -0.03546 -0.00014 215 4YZ -0.01523 -0.00900 -0.23269 0.36855 0.14900 201 202 203 204 205 V V V V V Eigenvalues -- 3.18205 3.25410 3.99313 4.03179 4.08892 1 1 C 1S 0.00000 0.00000 -0.01457 0.00002 0.07367 2 2S -0.00004 -0.00002 0.00293 -0.00010 -0.29236 3 2PX -0.00001 0.00000 0.01113 0.00000 0.01791 4 2PY -0.02109 -0.00550 0.00001 0.01715 0.00001 5 2PZ 0.00000 0.00000 -0.02237 0.00001 -0.01910 6 3S 0.00007 0.00001 0.40118 -0.00013 -0.46594 7 3PX 0.00005 0.00001 -0.03144 0.00002 -0.22622 8 3PY 0.01239 -0.06933 -0.00002 -0.13172 0.00003 9 3PZ 0.00002 -0.00004 0.23242 -0.00010 -0.01278 10 4XX 0.00000 0.00002 -0.01911 0.00006 0.24003 11 4YY 0.00001 0.00000 -0.06542 0.00007 0.23622 12 4ZZ 0.00001 0.00000 -0.03805 0.00007 0.22495 13 4XY 0.02140 -0.03731 0.00001 0.02147 0.00001 14 4XZ 0.00001 0.00000 -0.00859 0.00000 -0.03581 15 4YZ 0.00292 -0.01557 0.00001 0.02731 0.00000 16 2 H 1S 0.00000 0.00000 -0.06305 0.00001 -0.03615 17 2S 0.00002 0.00000 -0.03048 0.00002 -0.00754 18 3 H 1S -0.00001 0.00000 0.01847 -0.00001 0.01235 19 2S 0.00001 -0.00002 0.03558 -0.00003 0.05925 20 4 C 1S -0.00563 0.01334 0.04480 -0.08287 0.05882 21 2S -0.03430 -0.02264 -0.31543 0.56163 -0.41468 22 2PX 0.01594 -0.03207 -0.03069 0.01285 -0.00758 23 2PY 0.01901 -0.00915 0.00301 0.00875 -0.01951 24 2PZ -0.00166 0.00732 -0.06466 0.06437 0.04785 25 3S 0.16959 -0.27141 -0.17508 0.25599 -0.06961 26 3PX 0.02368 -0.08875 0.12242 -0.09645 0.04079 27 3PY -0.22682 0.15974 0.12360 -0.14379 -0.12406 28 3PZ 0.02778 -0.18617 -0.00008 -0.08820 0.01391 29 4XX -0.00386 0.00968 0.19031 -0.37022 0.21996 30 4YY -0.01399 0.05255 0.18611 -0.30094 0.24945 31 4ZZ 0.00549 0.01817 0.09399 -0.28290 0.28548 32 4XY -0.02578 0.03688 -0.00816 -0.00220 -0.02459 33 4XZ -0.01552 0.00917 -0.02543 0.02659 0.03637 34 4YZ 0.01949 0.01389 0.03008 -0.01493 -0.04101 35 5 H 1S 0.02835 -0.01911 -0.03676 0.04260 -0.02757 36 2S 0.06048 -0.05693 0.00689 -0.02598 0.10731 37 6 C 1S 0.00028 0.00213 0.14892 -0.09826 -0.07409 38 2S 0.01360 -0.00669 -1.04637 0.78140 0.49561 39 2PX 0.00117 -0.00198 -0.03719 0.02855 0.01166 40 2PY 0.00719 0.01025 0.02912 0.09648 -0.05669 41 2PZ 0.00282 -0.00637 -0.01537 -0.02044 0.05748 42 3S -0.25232 0.15521 -0.23737 0.06535 0.18114 43 3PX 0.02749 -0.05650 0.03570 -0.09040 -0.00854 44 3PY 0.13718 0.08523 0.01746 0.11589 0.06912 45 3PZ 0.06800 -0.16464 -0.03030 0.11010 0.02299 46 4XX -0.00133 0.00774 0.58359 -0.38418 -0.28609 47 4YY -0.02587 -0.02075 0.53946 -0.51566 -0.27440 48 4ZZ 0.01173 0.02735 0.62986 -0.41886 -0.34928 49 4XY 0.00034 0.01394 0.00349 0.01342 0.00835 50 4XZ -0.00299 0.00985 0.01549 -0.00426 -0.00274 51 4YZ 0.00797 -0.01802 0.00241 -0.03440 0.02510 52 7 H 1S -0.01019 0.00376 -0.10299 0.08266 0.01601 53 2S -0.02544 0.02250 0.12711 -0.14409 -0.06635 54 8 C 1S 0.00563 -0.01334 0.04482 0.08286 0.05880 55 2S 0.03427 0.02267 -0.31550 -0.56154 -0.41462 56 2PX -0.01595 0.03209 -0.03069 -0.01282 -0.00759 57 2PY 0.01900 -0.00915 -0.00300 0.00874 0.01950 58 2PZ 0.00167 -0.00733 -0.06467 -0.06436 0.04787 59 3S -0.16962 0.27139 -0.17512 -0.25590 -0.06930 60 3PX -0.02362 0.08871 0.12244 0.09643 0.04078 61 3PY -0.22690 0.15980 -0.12358 -0.14365 0.12428 62 3PZ -0.02778 0.18628 -0.00008 0.08827 0.01393 63 4XX 0.00389 -0.00969 0.19037 0.37020 0.21986 64 4YY 0.01398 -0.05254 0.18617 0.30088 0.24937 65 4ZZ -0.00550 -0.01816 0.09401 0.28285 0.28541 66 4XY -0.02579 0.03688 0.00814 -0.00218 0.02458 67 4XZ 0.01552 -0.00914 -0.02543 -0.02657 0.03637 68 4YZ 0.01950 0.01390 -0.03008 -0.01492 0.04101 69 9 H 1S -0.02836 0.01912 -0.03676 -0.04258 -0.02755 70 2S -0.06049 0.05696 0.00690 0.02602 0.10735 71 10 C 1S -0.00029 -0.00213 0.14894 0.09823 -0.07413 72 2S -0.01357 0.00667 -1.04652 -0.78119 0.49595 73 2PX -0.00118 0.00198 -0.03719 -0.02856 0.01165 74 2PY 0.00720 0.01025 -0.02911 0.09649 0.05665 75 2PZ -0.00283 0.00638 -0.01538 0.02046 0.05747 76 3S 0.25230 -0.15524 -0.23753 -0.06532 0.18086 77 3PX -0.02751 0.05650 0.03578 0.09039 -0.00852 78 3PY 0.13718 0.08524 -0.01758 0.11590 -0.06932 79 3PZ -0.06797 0.16466 -0.03028 -0.11008 0.02315 80 4XX 0.00133 -0.00773 0.58367 0.38405 -0.28624 81 4YY 0.02586 0.02076 0.53954 0.51555 -0.27462 82 4ZZ -0.01174 -0.02736 0.62995 0.41872 -0.34945 83 4XY 0.00033 0.01394 -0.00348 0.01338 -0.00836 84 4XZ 0.00299 -0.00986 0.01548 0.00426 -0.00273 85 4YZ 0.00797 -0.01802 -0.00243 -0.03439 -0.02508 86 11 H 1S 0.01019 -0.00375 -0.10303 -0.08264 0.01603 87 2S 0.02543 -0.02250 0.12711 0.14406 -0.06644 88 12 C 1S -0.01456 0.06012 0.03722 0.04319 -0.12876 89 2S -0.21111 0.09402 -0.11967 0.09096 0.96132 90 2PX -0.09449 -0.05995 -0.04503 -0.07723 0.01401 91 2PY 0.28124 -0.10248 0.01389 0.01482 0.06832 92 2PZ -0.10441 -0.01004 -0.01965 0.00069 0.02492 93 3S 1.56504 -2.54542 -0.26135 -1.74573 0.14733 94 3PX -0.11889 -0.44228 -0.14335 -0.42236 -0.31294 95 3PY 1.06763 -0.88999 -0.13351 -0.73984 -0.33030 96 3PZ 0.06762 -0.70593 -0.20108 -0.76126 -0.38255 97 4XX -0.25324 0.16215 0.06774 0.03200 -0.52150 98 4YY 0.54786 -0.39574 0.11060 0.05179 -0.49143 99 4ZZ -0.19900 0.30325 0.09519 0.06371 -0.53601 100 4XY 0.12610 0.35101 0.00938 0.06408 -0.02482 101 4XZ -0.21286 -0.02167 -0.09120 -0.13864 -0.07398 102 4YZ 0.16379 0.30535 0.03125 0.03246 0.00081 103 13 C 1S 0.00066 -0.05016 0.14183 0.16365 -0.07250 104 2S 0.03504 -0.17472 -1.15091 -1.42511 0.14622 105 2PX -0.09135 -0.02471 -0.02705 -0.03053 -0.01555 106 2PY 0.01796 0.25328 -0.06529 -0.06603 0.09385 107 2PZ -0.08352 0.03817 -0.01628 -0.01987 0.01804 108 3S -0.31536 1.90885 -1.21963 -0.25000 -1.10441 109 3PX -0.04125 -0.04882 -0.18400 -0.21486 -0.23585 110 3PY -0.14480 1.12100 1.35699 1.95030 1.78219 111 3PZ -0.11174 0.21941 0.02677 0.17176 0.09745 112 4XX 0.10026 0.22300 0.61959 0.77274 -0.10719 113 4YY -0.05379 -0.53930 0.71979 0.88472 -0.20911 114 4ZZ -0.07986 0.22350 0.59689 0.72507 -0.11113 115 4XY -0.52595 0.04489 -0.04866 -0.06933 -0.00021 116 4XZ 0.01230 0.44927 -0.03275 0.01661 0.05365 117 4YZ -0.55633 -0.00409 -0.01389 -0.00151 0.00058 118 14 C 1S -0.00267 0.06138 0.14069 0.13650 -0.16042 119 2S 0.01206 -0.07273 -0.84315 -0.57701 1.24560 120 2PX -0.08636 0.00503 0.01056 0.01425 -0.01205 121 2PY -0.34567 -0.16202 -0.00452 0.10778 0.09945 122 2PZ -0.09935 0.02685 0.00867 0.01946 -0.01240 123 3S -0.80357 -2.54381 -0.28202 -2.18457 0.30102 124 3PX -0.18038 0.70124 0.17398 0.61983 0.29369 125 3PY -0.83431 -0.72546 -0.26663 -0.84866 -0.41930 126 3PZ -0.23273 0.74052 0.18202 0.61800 0.29068 127 4XX 0.19423 0.30427 0.51145 0.43725 -0.65666 128 4YY -0.55181 -0.39922 0.49288 0.53319 -0.65211 129 4ZZ 0.25546 0.24440 0.49742 0.41596 -0.65737 130 4XY 0.16486 -0.36610 -0.01130 -0.02410 0.01291 131 4XZ 0.23722 -0.00105 -0.06948 -0.10716 -0.06389 132 4YZ 0.14913 -0.46042 -0.01549 -0.04977 0.01692 133 15 C 1S 0.00267 -0.06138 0.14067 -0.13659 -0.16038 134 2S -0.01208 0.07273 -0.84302 0.57758 1.24551 135 2PX 0.08641 -0.00501 0.01055 -0.01427 -0.01204 136 2PY -0.34566 -0.16200 0.00454 0.10775 -0.09947 137 2PZ 0.09937 -0.02686 0.00867 -0.01947 -0.01240 138 3S 0.80355 2.54390 -0.28193 2.18482 0.30003 139 3PX 0.18049 -0.70116 0.17396 -0.61972 0.29396 140 3PY -0.83430 -0.72556 0.26647 -0.84869 0.41959 141 3PZ 0.23274 -0.74054 0.18205 -0.61799 0.29104 142 4XX -0.19426 -0.30420 0.51138 -0.43758 -0.65654 143 4YY 0.55185 0.39914 0.49277 -0.53352 -0.65199 144 4ZZ -0.25546 -0.24441 0.49735 -0.41628 -0.65727 145 4XY 0.16476 -0.36620 0.01131 -0.02409 -0.01290 146 4XZ -0.23725 0.00111 -0.06947 0.10717 -0.06393 147 4YZ 0.14910 -0.46044 0.01548 -0.04977 -0.01691 148 16 C 1S -0.00066 0.05017 0.14179 -0.16371 -0.07246 149 2S -0.03513 0.17472 -1.15060 1.42553 0.14584 150 2PX 0.09135 0.02471 -0.02706 0.03055 -0.01556 151 2PY 0.01793 0.25332 0.06528 -0.06607 -0.09383 152 2PZ 0.08354 -0.03814 -0.01629 0.01990 0.01802 153 3S 0.31527 -1.90895 -1.21900 0.24994 -1.10390 154 3PX 0.04126 0.04865 -0.18376 0.21461 -0.23563 155 3PY -0.14486 1.12119 -1.35669 1.95040 -1.78284 156 3PZ 0.11178 -0.21943 0.02685 -0.17178 0.09757 157 4XX -0.10011 -0.22297 0.61941 -0.77295 -0.10700 158 4YY 0.05362 0.53937 0.71961 -0.88504 -0.20885 159 4ZZ 0.07991 -0.22357 0.59671 -0.72528 -0.11093 160 4XY -0.52601 0.04479 0.04865 -0.06934 0.00024 161 4XZ -0.01224 -0.44932 -0.03273 -0.01660 0.05367 162 4YZ -0.55641 -0.00418 0.01389 -0.00155 -0.00058 163 17 C 1S 0.01456 -0.06012 0.03721 -0.04322 -0.12874 164 2S 0.21115 -0.09401 -0.11961 -0.09068 0.96133 165 2PX 0.09451 0.05995 -0.04503 0.07725 0.01399 166 2PY 0.28127 -0.10243 -0.01389 0.01484 -0.06833 167 2PZ 0.10443 0.01009 -0.01965 -0.00065 0.02493 168 3S -1.56504 2.54547 -0.26143 1.74576 0.14639 169 3PX 0.11893 0.44227 -0.14338 0.42235 -0.31329 170 3PY 1.06764 -0.88996 0.13365 -0.73983 0.33078 171 3PZ -0.06771 0.70610 -0.20113 0.76135 -0.38291 172 4XX 0.25323 -0.16221 0.06773 -0.03217 -0.52146 173 4YY -0.54785 0.39582 0.11051 -0.05191 -0.49143 174 4ZZ 0.19902 -0.30327 0.09514 -0.06381 -0.53594 175 4XY 0.12611 0.35105 -0.00938 0.06413 0.02481 176 4XZ 0.21286 0.02163 -0.09118 0.13866 -0.07404 177 4YZ 0.16390 0.30533 -0.03126 0.03247 -0.00084 178 18 H 1S -0.02231 -0.18495 -0.01874 -0.04035 0.01852 179 2S 0.06470 -0.07477 -0.06128 -0.23356 -0.33919 180 19 H 1S 0.00713 -0.24928 -0.07870 -0.07979 0.04553 181 2S -0.01095 -0.11182 -0.05439 -0.19026 -0.38363 182 20 H 1S -0.00713 0.24929 -0.07869 0.07982 0.04550 183 2S 0.01096 0.11181 -0.05438 0.19017 -0.38374 184 21 H 1S 0.02231 0.18498 -0.01874 0.04036 0.01849 185 2S -0.06470 0.07483 -0.06136 0.23359 -0.33936 186 22 O 1S -0.00024 -0.01564 -0.24852 0.24650 -0.27780 187 2S 0.01222 -0.11219 -0.31556 0.32525 -0.32066 188 2PX 0.00172 0.03432 0.02624 -0.02632 0.01149 189 2PY 0.00074 0.22011 0.19701 -0.21141 0.08404 190 2PZ 0.00357 -0.02532 -0.01946 0.01811 -0.00755 191 3S -0.01624 -0.10184 3.39152 -3.46553 3.99482 192 3PX 0.23045 0.02079 -0.10427 0.10179 -0.14090 193 3PY 0.02784 0.03356 -0.70810 0.64929 -0.95813 194 3PZ 0.21929 0.02458 0.08136 -0.05656 0.09262 195 4XX -0.07780 -0.03518 -0.84367 0.82261 -0.95339 196 4YY -0.00247 -0.27035 -0.77869 0.81809 -0.71800 197 4ZZ 0.06991 -0.01628 -0.84339 0.82843 -0.95409 198 4XY -0.34308 -0.05243 0.02013 -0.01499 0.04625 199 4XZ -0.01620 0.08375 -0.00924 0.01713 -0.03741 200 4YZ -0.34642 0.00819 -0.00964 -0.00142 -0.02057 201 23 O 1S 0.00025 0.01564 -0.24860 -0.24651 -0.27776 202 2S -0.01224 0.11222 -0.31567 -0.32524 -0.32061 203 2PX -0.00172 -0.03435 0.02627 0.02633 0.01149 204 2PY 0.00078 0.22009 -0.19707 -0.21138 -0.08399 205 2PZ -0.00356 0.02532 -0.01947 -0.01810 -0.00755 206 3S 0.01635 0.10177 3.39268 3.46559 3.99427 207 3PX -0.23046 -0.02075 -0.10437 -0.10184 -0.14097 208 3PY 0.02788 0.03353 0.70836 0.64934 0.95806 209 3PZ -0.21926 -0.02458 0.08141 0.05658 0.09264 210 4XX 0.07785 0.03515 -0.84396 -0.82263 -0.95326 211 4YY 0.00249 0.27029 -0.77893 -0.81804 -0.71785 212 4ZZ -0.06992 0.01628 -0.84368 -0.82845 -0.95396 213 4XY -0.34308 -0.05243 -0.02015 -0.01500 -0.04628 214 4XZ 0.01622 -0.08375 -0.00925 -0.01714 -0.03740 215 4YZ -0.34636 0.00819 0.00965 -0.00141 0.02058 206 207 208 209 210 V V V V V Eigenvalues -- 4.18641 4.25645 4.30659 4.35387 4.36547 1 1 C 1S 0.06502 -0.27627 -0.31384 0.00007 0.00000 2 2S -0.45358 1.41091 1.66238 -0.00039 0.00000 3 2PX -0.02053 -0.04237 -0.06763 0.00002 0.00000 4 2PY -0.00001 0.00000 0.00000 0.02111 -0.01652 5 2PZ -0.00699 -0.04605 -0.03209 0.00002 -0.00001 6 3S -0.03275 1.09432 1.42551 -0.00034 0.00008 7 3PX 0.10921 -0.03710 0.07971 0.00001 -0.00002 8 3PY 0.00000 -0.00001 -0.00003 -0.13106 0.16521 9 3PZ 0.03454 0.09813 -0.07804 -0.00001 0.00011 10 4XX 0.27870 -1.05638 -1.17575 0.00027 0.00000 11 4YY 0.20461 -0.98938 -1.14159 0.00028 -0.00002 12 4ZZ 0.27201 -0.98175 -1.19972 0.00029 0.00000 13 4XY 0.00001 -0.00001 0.00000 0.05148 -0.02906 14 4XZ -0.03589 0.05751 0.00417 0.00000 0.00000 15 4YZ -0.00001 0.00000 0.00002 0.07171 -0.01966 16 2 H 1S -0.05252 0.07214 0.09176 -0.00002 -0.00001 17 2S 0.13808 -0.31710 -0.26562 0.00006 -0.00002 18 3 H 1S -0.04233 0.07061 0.07089 -0.00002 0.00000 19 2S 0.05394 -0.18924 -0.34981 0.00008 0.00005 20 4 C 1S 0.09585 -0.12514 -0.11602 -0.18300 0.06529 21 2S -0.62334 0.63383 0.40751 0.76980 -0.43551 22 2PX 0.00859 -0.04381 -0.05769 -0.04051 -0.00138 23 2PY 0.00793 0.03987 -0.00324 0.04576 -0.04546 24 2PZ -0.04957 -0.10532 -0.00457 0.05636 0.04382 25 3S -0.17352 0.79661 0.46055 1.04314 -0.32555 26 3PX 0.06556 0.08501 0.22880 0.12968 0.13402 27 3PY 0.04813 -0.25563 -0.12524 -0.41436 0.08099 28 3PZ 0.01339 0.26997 0.12932 0.08821 0.09632 29 4XX 0.39144 -0.45656 -0.33375 -0.68201 0.27359 30 4YY 0.38465 -0.40781 -0.35627 -0.60392 0.27013 31 4ZZ 0.30497 -0.56310 -0.33068 -0.57489 0.33070 32 4XY -0.02973 0.07904 0.07716 -0.02496 -0.01493 33 4XZ -0.02865 0.00890 0.03987 0.03485 0.03392 34 4YZ 0.01030 0.11233 0.05127 -0.04223 -0.04141 35 5 H 1S -0.06364 0.07229 0.06730 0.05773 -0.03381 36 2S 0.06510 -0.01211 -0.03604 0.01666 0.06317 37 6 C 1S 0.16573 0.21945 -0.10796 -0.19168 -0.08621 38 2S -1.03394 -1.10015 0.71643 1.06216 0.64280 39 2PX 0.03195 0.00200 -0.01568 -0.04439 0.01492 40 2PY 0.03669 0.03300 -0.02510 0.13687 0.06045 41 2PZ -0.00705 -0.12493 0.01608 0.02136 0.06627 42 3S -0.44101 -1.13916 0.03788 0.66285 0.20383 43 3PX -0.07206 0.04703 0.04419 0.16001 -0.05740 44 3PY -0.05915 0.05284 0.03064 -0.12434 0.02196 45 3PZ -0.01354 0.40560 0.11276 0.13542 0.00884 46 4XX 0.64888 0.83196 -0.41593 -0.72266 -0.33280 47 4YY 0.58721 0.71937 -0.41005 -0.88612 -0.49242 48 4ZZ 0.63568 0.87050 -0.42499 -0.67239 -0.42883 49 4XY -0.00626 -0.02350 -0.02305 -0.02643 0.01137 50 4XZ -0.00143 0.01748 -0.01491 0.02861 -0.01922 51 4YZ 0.00914 -0.04802 -0.04856 -0.00533 0.01931 52 7 H 1S -0.04589 -0.07488 0.07401 0.03044 0.04865 53 2S 0.14936 0.06025 -0.13910 -0.17469 -0.06569 54 8 C 1S 0.09585 -0.12513 -0.11596 0.18303 -0.06526 55 2S -0.62323 0.63375 0.40721 -0.76977 0.43537 56 2PX 0.00861 -0.04380 -0.05768 0.04055 0.00140 57 2PY -0.00791 -0.03986 0.00322 0.04577 -0.04544 58 2PZ -0.04956 -0.10528 -0.00461 -0.05634 -0.04382 59 3S -0.17365 0.79660 0.46019 -1.04332 0.32531 60 3PX 0.06555 0.08500 0.22877 -0.12976 -0.13405 61 3PY -0.04821 0.25561 0.12519 -0.41450 0.08087 62 3PZ 0.01335 0.26993 0.12931 -0.08829 -0.09635 63 4XX 0.39140 -0.45650 -0.33348 0.68206 -0.27348 64 4YY 0.38465 -0.40778 -0.35608 0.60399 -0.26997 65 4ZZ 0.30495 -0.56307 -0.33049 0.57493 -0.33060 66 4XY 0.02973 -0.07905 -0.07719 -0.02490 -0.01492 67 4XZ -0.02863 0.00892 0.03985 -0.03484 -0.03391 68 4YZ -0.01029 -0.11229 -0.05127 -0.04220 -0.04141 69 9 H 1S -0.06365 0.07228 0.06730 -0.05777 0.03377 70 2S 0.06508 -0.01211 -0.03600 -0.01668 -0.06315 71 10 C 1S 0.16572 0.21942 -0.10787 0.19171 0.08628 72 2S -1.03386 -1.09991 0.71586 -1.06240 -0.64317 73 2PX 0.03196 0.00202 -0.01567 0.04437 -0.01492 74 2PY -0.03669 -0.03301 0.02516 0.13686 0.06045 75 2PZ -0.00706 -0.12490 0.01608 -0.02136 -0.06628 76 3S -0.44085 -1.13907 0.03763 -0.66287 -0.20399 77 3PX -0.07210 0.04698 0.04417 -0.15999 0.05737 78 3PY 0.05918 -0.05293 -0.03070 -0.12430 0.02196 79 3PZ -0.01359 0.40561 0.11269 -0.13551 -0.00879 80 4XX 0.64884 0.83182 -0.41560 0.72280 0.33306 81 4YY 0.58716 0.71919 -0.40962 0.88625 0.49265 82 4ZZ 0.63563 0.87035 -0.42464 0.67253 0.42908 83 4XY 0.00627 0.02352 0.02305 -0.02647 0.01133 84 4XZ -0.00144 0.01746 -0.01493 -0.02861 0.01921 85 4YZ -0.00915 0.04801 0.04856 -0.00533 0.01930 86 11 H 1S -0.04587 -0.07486 0.07398 -0.03046 -0.04868 87 2S 0.14936 0.06021 -0.13902 0.17475 0.06572 88 12 C 1S 0.17894 -0.10919 0.09250 0.14850 0.05864 89 2S -1.05895 0.70402 -0.26121 -0.94548 -0.48493 90 2PX 0.00062 0.03434 -0.04944 0.00360 0.03866 91 2PY -0.05566 0.02132 0.02885 0.09792 0.08682 92 2PZ 0.02197 -0.02320 0.00809 0.01802 -0.01297 93 3S -0.66690 0.20093 -0.37362 -0.40442 1.03440 94 3PX 0.04458 0.03110 0.18869 -0.18790 0.29644 95 3PY 0.18166 -0.08283 -0.04513 0.50636 0.68547 96 3PZ 0.04320 0.01205 -0.08622 0.13420 0.62572 97 4XX 0.71065 -0.45133 0.22645 0.61397 0.24211 98 4YY 0.61571 -0.38767 0.25294 0.68832 0.35750 99 4ZZ 0.70137 -0.40475 0.29321 0.60651 0.25504 100 4XY -0.01672 -0.02773 0.04842 0.00574 -0.00566 101 4XZ 0.00163 0.02998 -0.00776 -0.01754 0.03816 102 4YZ -0.00589 -0.04001 0.03698 0.00902 0.02552 103 13 C 1S 0.01061 -0.12852 0.18770 0.01384 0.07689 104 2S -0.05065 0.73123 -1.08947 -0.02089 0.08166 105 2PX 0.08106 -0.00035 0.02192 0.09142 -0.00422 106 2PY -0.00358 0.06333 -0.06028 -0.03784 -0.06813 107 2PZ 0.06012 -0.02602 0.02837 0.03064 -0.04065 108 3S 0.21629 0.15636 -0.81677 0.71374 0.99281 109 3PX -0.14068 -0.03547 -0.02166 -0.35788 0.37243 110 3PY -0.41119 0.24286 -0.08693 -1.16788 -2.37401 111 3PZ -0.12388 0.13151 -0.05073 -0.41884 -0.13895 112 4XX 0.02948 -0.45971 0.72040 -0.00080 0.06606 113 4YY 0.02525 -0.58549 0.85027 0.05653 0.20385 114 4ZZ 0.05363 -0.44508 0.73374 0.04029 0.05524 115 4XY 0.09640 0.01230 0.01522 0.06595 -0.05480 116 4XZ 0.02388 0.01403 0.04863 0.03393 -0.12422 117 4YZ 0.09428 -0.03618 0.07213 0.07227 -0.03724 118 14 C 1S -0.21646 -0.03665 -0.11805 -0.17037 0.23439 119 2S 1.29918 0.24428 0.69856 0.85738 -1.39617 120 2PX 0.05539 -0.00013 0.05698 0.03607 -0.04168 121 2PY 0.05162 -0.00177 0.05550 -0.11056 0.24375 122 2PZ 0.04057 -0.03640 0.07128 0.03629 -0.04361 123 3S 0.72920 -0.03058 0.57173 1.98921 -0.19931 124 3PX -0.13872 0.04798 -0.10740 -0.40361 -0.34475 125 3PY 0.03476 -0.02161 -0.04066 0.46453 0.51792 126 3PZ -0.13627 0.07692 -0.11954 -0.46592 -0.26060 127 4XX -0.84495 -0.13350 -0.47965 -0.63084 0.90562 128 4YY -0.77389 -0.13217 -0.43827 -0.77741 1.19759 129 4ZZ -0.85069 -0.12237 -0.50543 -0.62213 0.89346 130 4XY -0.01471 0.02764 -0.04404 -0.04533 0.00936 131 4XZ 0.00010 0.00917 -0.03830 0.00132 0.04863 132 4YZ -0.01209 0.04208 -0.05422 -0.01993 0.02945 133 15 C 1S -0.21644 -0.03661 -0.11805 0.17040 -0.23438 134 2S 1.29910 0.24406 0.69854 -0.85753 1.39614 135 2PX 0.05539 -0.00013 0.05698 -0.03608 0.04164 136 2PY -0.05163 0.00172 -0.05547 -0.11055 0.24376 137 2PZ 0.04057 -0.03640 0.07127 -0.03632 0.04360 138 3S 0.72911 -0.03101 0.57144 -1.98930 0.19917 139 3PX -0.13870 0.04805 -0.10732 0.40360 0.34474 140 3PY -0.03483 0.02179 0.04090 0.46463 0.51797 141 3PZ -0.13626 0.07699 -0.11950 0.46596 0.26066 142 4XX -0.84490 -0.13334 -0.47965 0.63095 -0.90560 143 4YY -0.77383 -0.13197 -0.43826 0.77750 -1.19756 144 4ZZ -0.85064 -0.12221 -0.50541 0.62225 -0.89342 145 4XY 0.01470 -0.02763 0.04402 -0.04536 0.00939 146 4XZ 0.00010 0.00917 -0.03830 -0.00131 -0.04864 147 4YZ 0.01210 -0.04208 0.05421 -0.01995 0.02943 148 16 C 1S 0.01062 -0.12849 0.18767 -0.01390 -0.07695 149 2S -0.05071 0.73106 -1.08945 0.02122 -0.08137 150 2PX 0.08106 -0.00035 0.02190 -0.09143 0.00421 151 2PY 0.00360 -0.06330 0.06026 -0.03788 -0.06815 152 2PZ 0.06013 -0.02604 0.02837 -0.03065 0.04063 153 3S 0.21625 0.15698 -0.81729 -0.71358 -0.99263 154 3PX -0.14065 -0.03557 -0.02177 0.35789 -0.37218 155 3PY 0.41120 -0.24271 0.08627 -1.16803 -2.37432 156 3PZ -0.12379 0.13137 -0.05072 0.41882 0.13900 157 4XX 0.02954 -0.45960 0.72038 0.00056 -0.06625 158 4YY 0.02528 -0.58533 0.85017 -0.05680 -0.20410 159 4ZZ 0.05367 -0.44498 0.73369 -0.04052 -0.05543 160 4XY -0.09639 -0.01226 -0.01522 0.06595 -0.05479 161 4XZ 0.02389 0.01404 0.04864 -0.03395 0.12423 162 4YZ -0.09429 0.03619 -0.07211 0.07228 -0.03720 163 17 C 1S 0.17895 -0.10921 0.09245 -0.14852 -0.05869 164 2S -1.05904 0.70437 -0.26089 0.94553 0.48509 165 2PX 0.00062 0.03433 -0.04947 -0.00360 -0.03864 166 2PY 0.05566 -0.02130 -0.02880 0.09793 0.08680 167 2PZ 0.02197 -0.02319 0.00808 -0.01802 0.01295 168 3S -0.66685 0.20061 -0.37358 0.40448 -1.03423 169 3PX 0.04466 0.03089 0.18872 0.18774 -0.29653 170 3PY -0.18157 0.08283 0.04522 0.50632 0.68552 171 3PZ 0.04318 0.01184 -0.08624 -0.13420 -0.62581 172 4XX 0.71069 -0.45149 0.22628 -0.61401 -0.24223 173 4YY 0.61575 -0.38786 0.25269 -0.68836 -0.35763 174 4ZZ 0.70140 -0.40488 0.29299 -0.60657 -0.25520 175 4XY 0.01673 0.02772 -0.04842 0.00574 -0.00568 176 4XZ 0.00163 0.02996 -0.00775 0.01754 -0.03816 177 4YZ 0.00591 0.03999 -0.03697 0.00905 0.02555 178 18 H 1S -0.03702 0.04868 -0.03494 -0.03240 0.01023 179 2S 0.22394 -0.05940 0.10856 0.24469 0.29551 180 19 H 1S 0.09354 0.02949 0.03120 0.06617 -0.04683 181 2S -0.09997 -0.07612 -0.04636 0.03119 0.38776 182 20 H 1S 0.09354 0.02947 0.03119 -0.06618 0.04683 183 2S -0.09995 -0.07612 -0.04642 -0.03120 -0.38779 184 21 H 1S -0.03702 0.04868 -0.03490 0.03242 -0.01022 185 2S 0.22392 -0.05949 0.10853 -0.24472 -0.29563 186 22 O 1S 0.05086 -0.01608 -0.02038 -0.13661 -0.26939 187 2S 0.08736 -0.00120 -0.04878 -0.25901 -0.44353 188 2PX -0.00306 -0.01933 0.01950 0.02038 0.01288 189 2PY -0.02312 -0.07121 0.10839 0.05316 0.07382 190 2PZ 0.01223 0.01225 -0.00659 -0.00717 -0.00781 191 3S -0.80585 0.33089 0.23277 2.28497 4.41443 192 3PX 0.06562 0.00622 -0.00145 -0.20076 -0.14290 193 3PY 0.18969 -0.15772 0.05454 -0.57452 -1.09102 194 3PZ -0.02329 -0.01999 0.00006 0.01117 0.11208 195 4XX 0.16623 -0.06291 -0.05229 -0.45499 -0.92395 196 4YY 0.14163 0.05963 -0.19733 -0.34297 -0.65774 197 4ZZ 0.17248 -0.06730 -0.05617 -0.47385 -0.92337 198 4XY -0.02569 0.00848 -0.02164 0.06206 0.03385 199 4XZ 0.00413 -0.00324 -0.01424 -0.01378 -0.05098 200 4YZ -0.00191 0.00072 0.00978 -0.00039 -0.02436 201 23 O 1S 0.05086 -0.01613 -0.02029 0.13659 0.26937 202 2S 0.08737 -0.00127 -0.04863 0.25898 0.44351 203 2PX -0.00306 -0.01933 0.01951 -0.02038 -0.01290 204 2PY 0.02312 0.07121 -0.10836 0.05318 0.07385 205 2PZ 0.01222 0.01225 -0.00659 0.00717 0.00781 206 3S -0.80582 0.33166 0.23130 -2.28466 -4.41416 207 3PX 0.06565 0.00613 -0.00138 0.20081 0.14299 208 3PY -0.18968 0.15796 -0.05493 -0.57438 -1.09091 209 3PZ -0.02327 -0.02000 0.00001 -0.01116 -0.11210 210 4XX 0.16621 -0.06308 -0.05198 0.45491 0.92389 211 4YY 0.14163 0.05955 -0.19711 0.34298 0.65775 212 4ZZ 0.17246 -0.06748 -0.05585 0.47378 0.92331 213 4XY 0.02570 -0.00852 0.02168 0.06207 0.03387 214 4XZ 0.00414 -0.00324 -0.01423 0.01379 0.05098 215 4YZ 0.00192 -0.00072 -0.00979 -0.00037 -0.02436 211 212 213 214 215 V V V V V Eigenvalues -- 4.52467 4.54438 4.63809 4.66214 4.94537 1 1 C 1S -0.28171 0.00017 0.00005 0.08421 0.00000 2 2S 1.42534 -0.00084 -0.00027 -0.45828 -0.00003 3 2PX -0.08816 0.00005 -0.00002 -0.02733 0.00000 4 2PY 0.00000 0.00190 -0.04318 0.00004 -0.07610 5 2PZ -0.07808 0.00005 0.00002 0.02780 0.00000 6 3S 2.52678 -0.00159 -0.00108 -1.86251 -0.00007 7 3PX 0.29871 -0.00019 -0.00004 -0.23084 0.00006 8 3PY -0.00002 -0.04598 -0.44376 0.00035 -0.20648 9 3PZ 0.16518 -0.00012 -0.00047 -0.54567 0.00001 10 4XX -1.02655 0.00060 0.00017 0.32255 -0.00002 11 4YY -1.19684 0.00072 0.00027 0.45838 0.00001 12 4ZZ -1.10664 0.00067 0.00018 0.30058 0.00002 13 4XY 0.00003 0.02221 0.09394 -0.00009 0.02306 14 4XZ -0.09605 0.00006 0.00001 0.03029 0.00002 15 4YZ 0.00000 0.04380 0.11336 -0.00007 0.03534 16 2 H 1S -0.02285 0.00002 0.00005 0.07172 0.00001 17 2S -0.22667 0.00013 0.00012 0.17849 0.00001 18 3 H 1S 0.01068 0.00000 0.00001 0.03776 0.00000 19 2S -0.37807 0.00023 -0.00010 -0.06006 0.00004 20 4 C 1S 0.20727 -0.09325 -0.33220 -0.23789 -0.14082 21 2S -1.20277 0.02318 1.13451 0.84923 -0.04669 22 2PX 0.01435 -0.01541 -0.06854 -0.04674 0.01065 23 2PY -0.08173 0.02747 0.16106 0.11179 0.06897 24 2PZ 0.02398 0.01830 -0.03443 -0.02402 -0.01315 25 3S -1.69604 0.49832 3.67430 2.37430 2.60902 26 3PX 0.07283 0.29716 0.42536 0.23584 0.57058 27 3PY 0.22658 -0.20024 -1.25964 -0.73564 -1.01635 28 3PZ 0.08509 -0.14572 0.34557 0.11662 0.34124 29 4XX 0.82296 -0.22536 -1.11429 -0.75283 -0.27967 30 4YY 0.91690 -0.22515 -1.08753 -0.89789 -0.33386 31 4ZZ 0.88642 -0.14627 -1.26827 -0.81010 -0.37480 32 4XY 0.04626 -0.05769 -0.02762 -0.01439 -0.06780 33 4XZ 0.05720 0.00016 -0.04176 -0.03894 -0.05047 34 4YZ 0.03387 -0.04306 0.04063 -0.00264 0.00650 35 5 H 1S -0.04521 0.00108 0.07271 0.07645 -0.00361 36 2S 0.25265 0.00764 0.03285 -0.04151 0.17327 37 6 C 1S -0.06508 -0.22506 0.16526 -0.04203 0.03352 38 2S 0.38260 0.93307 -0.78952 0.24189 -0.06843 39 2PX 0.00968 -0.01377 -0.03483 -0.02751 -0.00947 40 2PY -0.02142 0.11511 -0.04247 0.00455 0.00678 41 2PZ 0.08549 0.09875 -0.11955 0.01385 0.00318 42 3S 0.51068 2.08141 -3.29594 -0.60830 -1.89070 43 3PX 0.00054 -0.01086 0.17938 0.05995 0.12044 44 3PY 0.00461 -0.66349 0.68051 -0.02761 0.27308 45 3PZ -0.14429 -0.45097 1.06438 0.28657 0.79863 46 4XX -0.26475 -0.80125 0.59589 -0.15323 0.10800 47 4YY -0.23079 -0.93888 0.73401 -0.15012 0.10814 48 4ZZ -0.36721 -0.76220 0.75267 -0.10847 0.12694 49 4XY -0.00677 -0.03940 -0.02673 -0.02439 -0.02915 50 4XZ -0.06409 -0.00496 0.08527 0.03170 0.02391 51 4YZ 0.04819 0.02062 -0.09047 -0.07930 -0.01647 52 7 H 1S 0.02370 0.07933 -0.04836 0.04744 -0.01219 53 2S -0.04660 -0.03685 -0.08421 -0.04824 -0.08504 54 8 C 1S 0.20736 0.09297 0.33192 -0.23842 0.14076 55 2S -1.20271 -0.02160 -1.13348 0.85083 0.04694 56 2PX 0.01434 0.01536 0.06845 -0.04680 -0.01073 57 2PY 0.08173 0.02738 0.16092 -0.11204 0.06895 58 2PZ 0.02394 -0.01830 0.03439 -0.02408 0.01319 59 3S -1.69647 -0.49603 -3.67152 2.38010 -2.60851 60 3PX 0.07260 -0.29727 -0.42496 0.23653 -0.57042 61 3PY -0.22673 -0.20002 -1.25872 0.73761 -1.01637 62 3PZ 0.08526 0.14565 -0.34540 0.11715 -0.34130 63 4XX 0.82318 0.22424 1.11340 -0.75453 0.27943 64 4YY 0.91711 0.22394 1.08647 -0.89954 0.33364 65 4ZZ 0.88649 0.14506 1.26730 -0.81199 0.37453 66 4XY -0.04636 -0.05761 -0.02759 0.01447 -0.06780 67 4XZ 0.05719 -0.00022 0.04172 -0.03901 0.05046 68 4YZ -0.03391 -0.04302 0.04061 0.00258 0.00648 69 9 H 1S -0.04520 -0.00105 -0.07262 0.07654 0.00359 70 2S 0.25267 -0.00801 -0.03285 -0.04146 -0.17333 71 10 C 1S -0.06478 0.22516 -0.16533 -0.04184 -0.03348 72 2S 0.38131 -0.93357 0.78992 0.24093 0.06835 73 2PX 0.00968 0.01374 0.03479 -0.02755 0.00946 74 2PY 0.02157 0.11509 -0.04250 -0.00452 0.00679 75 2PZ 0.08534 -0.09886 0.11954 0.01373 -0.00325 76 3S 0.50788 -2.08229 3.29507 -0.61265 1.89019 77 3PX 0.00056 0.01097 -0.17937 0.06017 -0.12046 78 3PY -0.00544 -0.66348 0.68064 0.02678 0.27309 79 3PZ -0.14371 0.45117 -1.06395 0.28805 -0.79837 80 4XX -0.26367 0.80165 -0.59614 -0.15255 -0.10783 81 4YY -0.22949 0.93921 -0.73423 -0.14928 -0.10801 82 4ZZ -0.36617 0.76271 -0.75287 -0.10754 -0.12678 83 4XY 0.00672 -0.03943 -0.02665 0.02443 -0.02914 84 4XZ -0.06406 0.00505 -0.08522 0.03180 -0.02388 85 4YZ -0.04815 0.02070 -0.09038 0.07943 -0.01646 86 11 H 1S 0.02360 -0.07936 0.04843 0.04739 0.01217 87 2S -0.04653 0.03694 0.08416 -0.04836 0.08503 88 12 C 1S 0.11029 -0.25095 -0.00747 0.24960 -0.31063 89 2S -0.59682 0.79817 -0.38267 -0.78077 0.65481 90 2PX -0.00109 0.01013 0.01025 0.03733 0.02915 91 2PY -0.01666 -0.12523 0.01834 0.01349 -0.03955 92 2PZ 0.04877 -0.07838 0.02154 0.11404 -0.11199 93 3S -0.66469 2.60990 0.78831 -2.09736 7.49693 94 3PX -0.15681 -0.00333 -0.58491 -0.24071 0.74236 95 3PY -0.13088 0.42403 0.21869 -0.16902 2.01708 96 3PZ -0.15167 0.59476 0.11301 -0.78267 2.04984 97 4XX 0.46023 -0.75894 0.14514 0.82182 -0.92939 98 4YY 0.39724 -0.96473 0.08602 0.77308 -1.15243 99 4ZZ 0.46795 -0.79911 0.09889 0.86255 -0.94178 100 4XY -0.04544 -0.07036 -0.02925 -0.09029 0.09189 101 4XZ 0.00239 0.04439 -0.02122 0.05280 -0.03203 102 4YZ -0.04815 0.00133 -0.00710 -0.01105 0.12811 103 13 C 1S -0.15620 -0.20866 -0.08368 -0.16025 0.25799 104 2S 0.71637 0.89193 0.44428 0.55733 -0.63365 105 2PX 0.01218 0.01407 0.01809 -0.00572 0.03570 106 2PY 0.04980 0.03902 0.00545 0.08427 -0.06612 107 2PZ 0.01633 -0.04229 0.00402 0.04156 -0.02001 108 3S 0.45289 0.07350 1.12156 -0.02692 -2.22452 109 3PX -0.18374 0.12479 0.06935 -0.55531 0.89606 110 3PY 0.98360 0.63280 0.04902 2.28301 -4.37932 111 3PZ 0.06099 0.39192 -0.01161 -0.06240 -0.14269 112 4XX -0.57707 -0.70804 -0.35363 -0.53258 0.78574 113 4YY -0.67915 -0.89147 -0.35863 -0.66451 0.97014 114 4ZZ -0.58294 -0.70713 -0.35730 -0.55110 0.83296 115 4XY 0.04576 -0.00369 -0.01029 0.06705 -0.05274 116 4XZ -0.08290 0.03022 -0.06702 -0.10460 0.11022 117 4YZ -0.00774 -0.09590 -0.03857 0.04462 -0.03393 118 14 C 1S 0.07984 0.05092 0.13716 0.02341 -0.07466 119 2S -0.40368 -0.32770 -0.61323 -0.12659 0.23576 120 2PX -0.04450 -0.01625 -0.05580 0.00245 0.00077 121 2PY -0.01750 0.00402 0.08556 0.00666 -0.01992 122 2PZ -0.04169 -0.03692 -0.04637 -0.02296 0.00258 123 3S -0.51073 -0.77326 -1.57181 -0.22122 3.90588 124 3PX 0.23397 0.21995 0.35666 0.27109 -1.14327 125 3PY -0.14070 0.01801 -0.30045 -0.42145 1.67394 126 3PZ 0.21215 0.21636 0.35754 0.29150 -1.08987 127 4XX 0.30740 0.20314 0.49317 0.09987 -0.22534 128 4YY 0.29321 0.29126 0.63058 0.11804 -0.35089 129 4ZZ 0.32863 0.25030 0.51074 0.09141 -0.26458 130 4XY 0.02853 0.06137 0.04924 0.03477 -0.05951 131 4XZ 0.01000 0.05473 0.02536 0.00186 -0.02314 132 4YZ 0.04786 0.07812 0.04221 0.06774 -0.10659 133 15 C 1S 0.07982 -0.05101 -0.13711 0.02357 0.07467 134 2S -0.40351 0.32815 0.61295 -0.12728 -0.23577 135 2PX -0.04450 0.01629 0.05577 0.00238 -0.00077 136 2PY 0.01747 0.00400 0.08556 -0.00676 -0.01993 137 2PZ -0.04166 0.03696 0.04633 -0.02301 -0.00257 138 3S -0.51009 0.77372 1.57149 -0.22330 -3.90610 139 3PX 0.23373 -0.22016 -0.35621 0.27154 1.14316 140 3PY 0.14081 0.01785 -0.29987 0.42193 1.67415 141 3PZ 0.21192 -0.21654 -0.35713 0.29202 1.08999 142 4XX 0.30731 -0.20348 -0.49296 0.10046 0.22537 143 4YY 0.29307 -0.29157 -0.63034 0.11877 0.35090 144 4ZZ 0.32849 -0.25066 -0.51053 0.09202 0.26460 145 4XY -0.02847 0.06140 0.04921 -0.03483 -0.05954 146 4XZ 0.00995 -0.05475 -0.02536 0.00189 0.02315 147 4YZ -0.04778 0.07816 0.04211 -0.06778 -0.10659 148 16 C 1S -0.15598 0.20881 0.08344 -0.16036 -0.25803 149 2S 0.71548 -0.89264 -0.44343 0.55782 0.63376 150 2PX 0.01218 -0.01409 -0.01809 -0.00566 -0.03570 151 2PY -0.04975 0.03907 0.00532 -0.08426 -0.06611 152 2PZ 0.01639 0.04228 -0.00396 0.04158 0.02003 153 3S 0.45309 -0.07401 -1.12150 -0.02501 2.22461 154 3PX -0.18382 -0.12460 -0.07021 -0.55506 -0.89556 155 3PY -0.98281 0.63354 0.04587 -2.28314 -4.38031 156 3PZ 0.06046 -0.39193 0.01145 -0.06258 0.14278 157 4XX -0.57635 0.70861 0.35284 -0.53298 -0.78585 158 4YY -0.67823 0.89213 0.35764 -0.66495 -0.97031 159 4ZZ -0.58222 0.70769 0.35648 -0.55154 -0.83313 160 4XY -0.04576 -0.00366 -0.01039 -0.06702 -0.05276 161 4XZ -0.08296 -0.03014 0.06687 -0.10465 -0.11025 162 4YZ 0.00762 -0.09590 -0.03862 -0.04459 -0.03394 163 17 C 1S 0.11059 0.25083 0.00784 0.24953 0.31063 164 2S -0.59788 -0.79755 0.38142 -0.78106 -0.65490 165 2PX -0.00107 -0.01013 -0.01025 0.03733 -0.02916 166 2PY 0.01652 -0.12526 0.01835 -0.01347 -0.03956 167 2PZ 0.04886 0.07834 -0.02136 0.11409 0.11205 168 3S -0.66764 -2.60902 -0.79115 -2.09571 -7.49686 169 3PX -0.15690 0.00344 0.58448 -0.24196 -0.74242 170 3PY 0.13121 0.42395 0.21888 0.16855 2.01718 171 3PZ -0.15237 -0.59467 -0.11403 -0.78257 -2.05031 172 4XX 0.46115 0.75846 -0.14387 0.82181 0.92947 173 4YY 0.39842 0.96429 -0.08485 0.77294 1.15250 174 4ZZ 0.46893 0.79858 -0.09761 0.86251 0.94176 175 4XY 0.04538 -0.07039 -0.02912 0.09031 0.09188 176 4XZ 0.00233 -0.04440 0.02128 0.05273 0.03203 177 4YZ 0.04819 0.00126 -0.00708 0.01108 0.12813 178 18 H 1S -0.04526 0.02333 -0.08097 -0.08231 0.00396 179 2S 0.06817 -0.06720 -0.06519 0.02534 0.23855 180 19 H 1S -0.03760 -0.00361 -0.04662 -0.04495 0.08568 181 2S -0.06018 -0.00444 -0.01585 -0.18029 0.42874 182 20 H 1S -0.03760 0.00366 0.04654 -0.04501 -0.08568 183 2S -0.06016 0.00448 0.01559 -0.18035 -0.42879 184 21 H 1S -0.04529 -0.02329 0.08087 -0.08245 -0.00398 185 2S 0.06823 0.06707 0.06528 0.02513 -0.23879 186 22 O 1S -0.07388 0.06040 -0.03202 -0.21118 -0.24471 187 2S -0.16045 0.09186 -0.06613 -0.48302 -0.63815 188 2PX -0.00834 0.01775 0.00578 0.00728 -0.00726 189 2PY -0.04303 0.08845 0.04959 0.02395 -0.00466 190 2PZ 0.00166 -0.01464 0.00011 0.00387 0.00623 191 3S 1.39832 -1.11184 0.52547 3.83932 5.00689 192 3PX -0.03559 0.05971 -0.00378 -0.12454 -0.11959 193 3PY -0.45540 0.40813 -0.10236 -1.08205 -1.32149 194 3PZ 0.05605 0.04533 0.00134 0.13562 0.15819 195 4XX -0.26979 0.22961 -0.09618 -0.73197 -0.82803 196 4YY -0.05289 -0.01736 -0.13959 -0.39531 -0.43620 197 4ZZ -0.26724 0.22694 -0.10772 -0.73934 -0.84128 198 4XY 0.02180 -0.02698 -0.00591 0.05121 0.05597 199 4XZ 0.01193 0.00513 -0.01613 0.01119 0.00703 200 4YZ -0.03213 -0.00781 0.00798 -0.06079 -0.06329 201 23 O 1S -0.07397 -0.06034 0.03173 -0.21123 0.24465 202 2S -0.16058 -0.09173 0.06547 -0.48315 0.63800 203 2PX -0.00836 -0.01775 -0.00577 0.00729 0.00728 204 2PY 0.04312 0.08841 0.04956 -0.02402 -0.00466 205 2PZ 0.00167 0.01463 -0.00011 0.00387 -0.00624 206 3S 1.39987 1.11078 -0.52014 3.84030 -5.00576 207 3PX -0.03572 -0.05976 0.00363 -0.12468 0.11962 208 3PY 0.45591 0.40774 -0.10084 1.08227 -1.32118 209 3PZ 0.05600 -0.04538 -0.00114 0.13562 -0.15818 210 4XX -0.27011 -0.22940 0.09515 -0.73213 0.82784 211 4YY -0.05294 0.01736 0.13905 -0.39552 0.43610 212 4ZZ -0.26756 -0.22672 0.10668 -0.73953 0.84109 213 4XY -0.02185 -0.02700 -0.00599 -0.05125 0.05599 214 4XZ 0.01191 -0.00514 0.01615 0.01117 -0.00702 215 4YZ 0.03212 -0.00785 0.00807 0.06078 -0.06329 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05187 2 2S -0.05528 0.31100 3 2PX 0.00158 0.00200 0.39924 4 2PY 0.00000 0.00000 0.00000 0.37722 5 2PZ 0.00255 -0.00191 -0.00374 0.00000 0.41345 6 3S -0.19057 0.29254 0.01632 0.00000 0.00968 7 3PX -0.00014 -0.00622 0.18216 0.00000 -0.00487 8 3PY 0.00000 0.00000 0.00000 0.17512 0.00000 9 3PZ 0.00023 -0.00888 -0.01071 0.00000 0.17860 10 4XX -0.01727 -0.00161 -0.01979 0.00000 0.00943 11 4YY -0.01415 -0.00803 0.01042 0.00000 0.00934 12 4ZZ -0.01848 0.00061 0.00378 0.00000 -0.02212 13 4XY 0.00000 0.00000 -0.00001 0.01208 0.00000 14 4XZ 0.00028 -0.00082 0.01334 0.00000 0.00249 15 4YZ 0.00000 0.00000 0.00000 0.01400 0.00000 16 2 H 1S -0.05176 0.09980 -0.25430 -0.00003 0.07063 17 2S -0.00265 0.01301 -0.21443 -0.00003 0.05585 18 3 H 1S -0.05586 0.10754 0.02057 0.00002 -0.26752 19 2S -0.00831 0.02190 0.01494 0.00002 -0.22271 20 4 C 1S 0.01234 -0.02331 -0.03362 -0.05274 -0.02850 21 2S -0.02269 0.04043 0.07140 0.11477 0.05593 22 2PX 0.02738 -0.05230 -0.02295 -0.12802 -0.06866 23 2PY 0.04715 -0.09364 -0.10740 -0.17847 -0.09604 24 2PZ 0.03285 -0.07188 -0.08927 -0.14503 -0.05652 25 3S -0.00036 0.01921 0.07062 0.07350 0.06266 26 3PX 0.00242 -0.00914 -0.00862 -0.05909 -0.02007 27 3PY 0.00890 -0.02545 -0.03465 -0.04484 -0.03101 28 3PZ 0.00172 -0.01187 -0.02971 -0.06721 -0.01568 29 4XX 0.00006 -0.00058 -0.01081 0.00120 0.00088 30 4YY -0.00268 0.00463 0.00656 -0.00679 0.00588 31 4ZZ 0.00080 -0.00255 -0.00154 -0.00139 -0.01146 32 4XY -0.00385 0.00710 -0.00090 0.00660 0.00604 33 4XZ -0.00226 0.00456 -0.00094 0.00403 -0.00111 34 4YZ -0.00408 0.00791 0.00612 0.00616 0.00015 35 5 H 1S 0.01051 -0.02182 -0.01167 -0.04678 -0.00967 36 2S 0.01002 -0.01987 -0.01630 -0.07857 -0.01115 37 6 C 1S -0.00480 0.01059 0.00907 0.00126 0.01439 38 2S 0.00976 -0.02364 -0.01964 -0.00955 -0.03540 39 2PX -0.00846 0.02961 -0.01939 -0.00959 0.02347 40 2PY -0.00734 0.01200 0.01447 -0.02194 0.01069 41 2PZ -0.00986 0.02337 0.02845 0.03481 0.02661 42 3S 0.01726 -0.03554 -0.04366 0.06033 -0.07187 43 3PX -0.00734 0.02176 -0.01552 -0.01125 0.02422 44 3PY -0.00159 0.00164 -0.00019 -0.04734 -0.00894 45 3PZ -0.00610 0.01040 0.01870 -0.00652 0.01861 46 4XX -0.00071 0.00132 -0.00044 0.00082 0.00216 47 4YY 0.00079 -0.00151 -0.00166 -0.00316 -0.00279 48 4ZZ -0.00154 0.00325 0.00588 0.00422 0.00509 49 4XY 0.00000 -0.00011 0.00156 0.00020 0.00065 50 4XZ -0.00102 0.00229 0.00281 0.00406 0.00441 51 4YZ -0.00112 0.00248 0.00322 0.00526 0.00361 52 7 H 1S -0.00796 0.01727 0.01844 0.02217 0.01946 53 2S -0.01012 0.02306 0.03408 0.04500 0.03722 54 8 C 1S 0.01234 -0.02331 -0.03363 0.05273 -0.02849 55 2S -0.02269 0.04043 0.07142 -0.11476 0.05591 56 2PX 0.02739 -0.05232 -0.02301 0.12805 -0.06866 57 2PY -0.04715 0.09363 0.10744 -0.17846 0.09601 58 2PZ 0.03284 -0.07186 -0.08928 0.14500 -0.05648 59 3S -0.00037 0.01921 0.07065 -0.07349 0.06265 60 3PX 0.00242 -0.00915 -0.00864 0.05910 -0.02008 61 3PY -0.00890 0.02545 0.03467 -0.04484 0.03101 62 3PZ 0.00172 -0.01187 -0.02971 0.06719 -0.01567 63 4XX 0.00006 -0.00058 -0.01081 -0.00120 0.00088 64 4YY -0.00268 0.00463 0.00656 0.00679 0.00588 65 4ZZ 0.00080 -0.00255 -0.00154 0.00139 -0.01146 66 4XY 0.00385 -0.00710 0.00089 0.00660 -0.00604 67 4XZ -0.00226 0.00456 -0.00094 -0.00403 -0.00111 68 4YZ 0.00408 -0.00790 -0.00612 0.00616 -0.00015 69 9 H 1S 0.01051 -0.02182 -0.01167 0.04677 -0.00967 70 2S 0.01002 -0.01987 -0.01631 0.07857 -0.01115 71 10 C 1S -0.00480 0.01059 0.00907 -0.00126 0.01439 72 2S 0.00976 -0.02364 -0.01964 0.00955 -0.03539 73 2PX -0.00846 0.02961 -0.01939 0.00960 0.02347 74 2PY 0.00734 -0.01199 -0.01448 -0.02194 -0.01069 75 2PZ -0.00986 0.02336 0.02846 -0.03481 0.02661 76 3S 0.01726 -0.03555 -0.04366 -0.06032 -0.07188 77 3PX -0.00734 0.02176 -0.01552 0.01125 0.02422 78 3PY 0.00159 -0.00163 0.00019 -0.04734 0.00894 79 3PZ -0.00610 0.01040 0.01871 0.00651 0.01861 80 4XX -0.00071 0.00132 -0.00044 -0.00082 0.00216 81 4YY 0.00079 -0.00151 -0.00166 0.00316 -0.00279 82 4ZZ -0.00154 0.00325 0.00588 -0.00422 0.00509 83 4XY 0.00000 0.00011 -0.00156 0.00020 -0.00065 84 4XZ -0.00102 0.00229 0.00281 -0.00406 0.00441 85 4YZ 0.00112 -0.00248 -0.00323 0.00526 -0.00361 86 11 H 1S -0.00796 0.01726 0.01844 -0.02217 0.01946 87 2S -0.01012 0.02306 0.03409 -0.04499 0.03721 88 12 C 1S -0.00286 0.00584 0.00831 -0.00041 -0.00283 89 2S 0.00516 -0.01203 -0.01765 0.00510 0.00503 90 2PX -0.01181 0.03030 0.03375 0.00113 -0.00538 91 2PY 0.00041 -0.00334 -0.00332 -0.00557 -0.00486 92 2PZ 0.00301 -0.00773 -0.01272 -0.01284 -0.01291 93 3S 0.01056 -0.02315 -0.03800 -0.01704 0.02275 94 3PX -0.00879 0.01915 0.02764 0.01354 0.00405 95 3PY -0.00133 0.00475 0.00703 -0.02065 -0.00927 96 3PZ 0.00495 -0.01305 -0.02077 -0.00320 -0.00389 97 4XX -0.00106 0.00239 0.00532 -0.00217 -0.00087 98 4YY 0.00026 -0.00089 -0.00127 0.00063 0.00023 99 4ZZ 0.00006 -0.00059 -0.00132 0.00133 0.00063 100 4XY -0.00011 0.00039 0.00018 0.00064 0.00004 101 4XZ 0.00009 -0.00036 -0.00110 0.00055 -0.00075 102 4YZ 0.00034 -0.00047 -0.00090 0.00053 0.00070 103 13 C 1S 0.00064 -0.00211 -0.00170 0.00108 0.00147 104 2S -0.00136 0.00349 0.00527 -0.00466 -0.00157 105 2PX 0.00061 -0.00038 0.00332 0.00379 0.00306 106 2PY -0.00150 0.00365 0.00589 -0.00228 -0.00237 107 2PZ 0.00307 -0.00892 -0.01031 0.00125 0.00370 108 3S -0.00290 0.01127 0.00948 -0.00541 -0.01566 109 3PX 0.00033 -0.00092 0.00365 0.00410 0.00577 110 3PY -0.00299 0.00446 0.00950 -0.00440 -0.01060 111 3PZ 0.00119 -0.00560 -0.00961 0.00894 0.00488 112 4XX 0.00060 -0.00134 -0.00191 0.00052 0.00015 113 4YY -0.00009 0.00022 0.00066 -0.00066 0.00008 114 4ZZ -0.00024 0.00055 0.00129 -0.00016 0.00060 115 4XY -0.00034 0.00021 0.00113 0.00000 0.00047 116 4XZ 0.00002 -0.00001 0.00019 -0.00013 0.00009 117 4YZ 0.00044 -0.00119 -0.00136 0.00001 0.00020 118 14 C 1S -0.00028 0.00086 0.00029 0.00007 -0.00084 119 2S 0.00089 -0.00319 -0.00012 -0.00034 0.00054 120 2PX 0.00025 -0.00154 -0.00901 0.00132 -0.00215 121 2PY -0.00009 0.00059 -0.00022 -0.00046 -0.00200 122 2PZ -0.00144 0.00547 0.00800 -0.00057 -0.00301 123 3S 0.00160 -0.00343 -0.00417 0.00074 0.00654 124 3PX 0.00034 -0.00235 -0.00638 0.00291 -0.00408 125 3PY -0.00014 0.00072 -0.00030 0.00449 0.00043 126 3PZ -0.00147 0.00437 0.00779 -0.00164 -0.00311 127 4XX 0.00007 -0.00015 -0.00052 -0.00023 -0.00012 128 4YY 0.00011 -0.00028 -0.00009 0.00015 -0.00015 129 4ZZ -0.00010 0.00023 0.00069 -0.00007 -0.00025 130 4XY 0.00002 -0.00011 -0.00031 -0.00013 0.00010 131 4XZ 0.00001 0.00002 0.00026 -0.00018 -0.00019 132 4YZ 0.00002 0.00009 0.00019 0.00007 -0.00004 133 15 C 1S -0.00028 0.00086 0.00029 -0.00007 -0.00084 134 2S 0.00089 -0.00319 -0.00012 0.00035 0.00054 135 2PX 0.00025 -0.00154 -0.00900 -0.00132 -0.00215 136 2PY 0.00009 -0.00059 0.00022 -0.00046 0.00200 137 2PZ -0.00144 0.00547 0.00800 0.00057 -0.00301 138 3S 0.00160 -0.00342 -0.00416 -0.00074 0.00653 139 3PX 0.00034 -0.00235 -0.00639 -0.00291 -0.00408 140 3PY 0.00014 -0.00072 0.00029 0.00449 -0.00043 141 3PZ -0.00147 0.00437 0.00778 0.00163 -0.00311 142 4XX 0.00007 -0.00015 -0.00052 0.00023 -0.00012 143 4YY 0.00011 -0.00028 -0.00009 -0.00015 -0.00015 144 4ZZ -0.00010 0.00023 0.00069 0.00007 -0.00025 145 4XY -0.00002 0.00011 0.00031 -0.00013 -0.00010 146 4XZ 0.00001 0.00002 0.00026 0.00018 -0.00019 147 4YZ -0.00002 -0.00009 -0.00019 0.00007 0.00004 148 16 C 1S 0.00064 -0.00211 -0.00170 -0.00108 0.00147 149 2S -0.00136 0.00349 0.00527 0.00466 -0.00157 150 2PX 0.00060 -0.00037 0.00332 -0.00378 0.00306 151 2PY 0.00150 -0.00365 -0.00589 -0.00228 0.00237 152 2PZ 0.00306 -0.00892 -0.01031 -0.00125 0.00371 153 3S -0.00290 0.01126 0.00946 0.00541 -0.01566 154 3PX 0.00033 -0.00092 0.00366 -0.00410 0.00577 155 3PY 0.00298 -0.00446 -0.00949 -0.00440 0.01059 156 3PZ 0.00119 -0.00560 -0.00961 -0.00894 0.00488 157 4XX 0.00060 -0.00134 -0.00191 -0.00052 0.00015 158 4YY -0.00009 0.00022 0.00066 0.00066 0.00008 159 4ZZ -0.00024 0.00055 0.00129 0.00016 0.00060 160 4XY 0.00034 -0.00021 -0.00113 0.00000 -0.00047 161 4XZ 0.00002 -0.00001 0.00019 0.00013 0.00009 162 4YZ -0.00044 0.00119 0.00136 0.00001 -0.00020 163 17 C 1S -0.00286 0.00584 0.00831 0.00041 -0.00283 164 2S 0.00516 -0.01203 -0.01765 -0.00510 0.00503 165 2PX -0.01181 0.03030 0.03376 -0.00113 -0.00538 166 2PY -0.00041 0.00334 0.00332 -0.00557 0.00486 167 2PZ 0.00301 -0.00773 -0.01272 0.01284 -0.01291 168 3S 0.01056 -0.02314 -0.03797 0.01704 0.02275 169 3PX -0.00879 0.01915 0.02765 -0.01354 0.00404 170 3PY 0.00133 -0.00475 -0.00702 -0.02065 0.00927 171 3PZ 0.00495 -0.01305 -0.02075 0.00321 -0.00390 172 4XX -0.00106 0.00239 0.00532 0.00217 -0.00087 173 4YY 0.00026 -0.00089 -0.00127 -0.00063 0.00023 174 4ZZ 0.00006 -0.00059 -0.00132 -0.00133 0.00063 175 4XY 0.00011 -0.00039 -0.00018 0.00064 -0.00004 176 4XZ 0.00009 -0.00036 -0.00110 -0.00055 -0.00075 177 4YZ -0.00034 0.00047 0.00090 0.00053 -0.00070 178 18 H 1S 0.00339 -0.00698 -0.00993 0.01151 0.00871 179 2S 0.00083 -0.00320 -0.00604 0.01076 -0.00036 180 19 H 1S -0.00029 0.00056 0.00063 -0.00012 -0.00114 181 2S -0.00083 0.00235 0.00246 -0.00009 -0.00087 182 20 H 1S -0.00029 0.00056 0.00063 0.00012 -0.00114 183 2S -0.00083 0.00235 0.00246 0.00009 -0.00087 184 21 H 1S 0.00339 -0.00698 -0.00992 -0.01151 0.00871 185 2S 0.00083 -0.00320 -0.00603 -0.01076 -0.00036 186 22 O 1S 0.00024 0.00049 -0.00034 -0.00074 0.00016 187 2S -0.00018 -0.00110 -0.00017 0.00163 0.00045 188 2PX 0.00440 -0.00436 -0.01327 -0.00692 -0.00372 189 2PY -0.00109 0.00039 0.00294 -0.00039 0.00111 190 2PZ -0.00306 0.00799 0.00968 -0.00077 0.00061 191 3S -0.00231 -0.00094 0.00566 0.00404 -0.00527 192 3PX 0.00333 -0.00352 -0.01190 -0.00473 -0.00346 193 3PY -0.00033 0.00066 0.00096 -0.00137 0.00201 194 3PZ -0.00278 0.00754 0.01007 0.00077 -0.00083 195 4XX 0.00016 -0.00018 -0.00051 -0.00031 0.00033 196 4YY 0.00009 0.00004 -0.00031 0.00013 0.00011 197 4ZZ 0.00007 0.00010 -0.00015 0.00001 0.00039 198 4XY -0.00022 0.00023 0.00064 0.00048 0.00016 199 4XZ 0.00006 -0.00007 -0.00010 0.00003 0.00001 200 4YZ 0.00005 -0.00015 -0.00022 -0.00005 -0.00002 201 23 O 1S 0.00024 0.00049 -0.00034 0.00074 0.00016 202 2S -0.00018 -0.00110 -0.00017 -0.00163 0.00045 203 2PX 0.00440 -0.00436 -0.01327 0.00693 -0.00372 204 2PY 0.00109 -0.00039 -0.00294 -0.00039 -0.00111 205 2PZ -0.00306 0.00799 0.00968 0.00076 0.00061 206 3S -0.00232 -0.00094 0.00567 -0.00404 -0.00527 207 3PX 0.00333 -0.00352 -0.01189 0.00473 -0.00346 208 3PY 0.00033 -0.00066 -0.00096 -0.00137 -0.00201 209 3PZ -0.00278 0.00754 0.01007 -0.00077 -0.00083 210 4XX 0.00016 -0.00018 -0.00051 0.00031 0.00033 211 4YY 0.00009 0.00004 -0.00031 -0.00013 0.00011 212 4ZZ 0.00007 0.00010 -0.00015 -0.00001 0.00039 213 4XY 0.00022 -0.00023 -0.00064 0.00048 -0.00016 214 4XZ 0.00006 -0.00007 -0.00010 -0.00003 0.00001 215 4YZ -0.00005 0.00015 0.00022 -0.00005 0.00002 6 7 8 9 10 6 3S 0.32788 7 3PX 0.01331 0.09214 8 3PY 0.00000 0.00000 0.08713 9 3PZ 0.01053 0.00127 0.00000 0.08814 10 4XX -0.00232 -0.00956 0.00000 0.00349 0.00181 11 4YY -0.00697 0.00449 0.00000 0.00363 -0.00030 12 4ZZ 0.00270 0.00234 0.00000 -0.00845 -0.00082 13 4XY 0.00000 0.00000 0.00465 0.00000 0.00000 14 4XZ -0.00055 0.00552 0.00000 0.00055 -0.00062 15 4YZ 0.00000 0.00000 0.00582 0.00000 0.00000 16 2 H 1S 0.08467 -0.11958 -0.00002 0.03138 0.01513 17 2S -0.00338 -0.09701 -0.00001 0.02575 0.01417 18 3 H 1S 0.10176 0.01110 0.00001 -0.11484 -0.00796 19 2S 0.02473 0.01390 0.00001 -0.08620 -0.00768 20 4 C 1S 0.00430 -0.00701 -0.00817 -0.00353 0.00124 21 2S 0.01308 0.02199 0.02865 0.01409 -0.00314 22 2PX -0.07369 -0.02161 -0.07234 -0.04436 0.00523 23 2PY -0.11594 -0.04867 -0.08075 -0.04134 0.00136 24 2PZ -0.04986 -0.03345 -0.07856 -0.00987 0.00121 25 3S -0.02546 0.01241 0.00495 0.00385 -0.00149 26 3PX -0.01736 -0.01021 -0.03464 -0.01598 0.00298 27 3PY -0.02004 -0.00919 -0.01945 -0.00451 -0.00061 28 3PZ 0.00219 -0.00874 -0.03264 -0.00095 0.00024 29 4XX -0.00006 -0.00451 0.00141 0.00067 0.00082 30 4YY 0.00194 0.00170 -0.00286 0.00133 -0.00031 31 4ZZ -0.00041 0.00070 -0.00051 -0.00353 -0.00026 32 4XY 0.00902 0.00026 0.00331 0.00350 0.00003 33 4XZ 0.00348 -0.00216 0.00158 -0.00221 0.00007 34 4YZ 0.01040 0.00366 0.00353 0.00008 -0.00015 35 5 H 1S -0.05206 -0.01272 -0.02698 -0.01143 -0.00132 36 2S -0.04277 -0.01534 -0.03443 -0.01194 -0.00053 37 6 C 1S 0.01978 0.00696 0.00269 0.00860 0.00036 38 2S -0.03999 -0.01536 -0.00982 -0.01782 -0.00085 39 2PX 0.00432 -0.04248 -0.00168 -0.02937 0.00728 40 2PY 0.08446 0.03277 -0.01089 0.01884 0.00048 41 2PZ 0.05175 0.03387 0.04176 0.02249 -0.00173 42 3S -0.04265 -0.01781 0.02842 -0.02545 -0.00057 43 3PX 0.00183 -0.03171 -0.00724 -0.01662 0.00454 44 3PY 0.02403 0.00844 -0.02261 0.00103 0.00022 45 3PZ 0.01548 0.01616 0.00249 0.01145 -0.00089 46 4XX 0.00278 0.00045 0.00073 0.00146 0.00003 47 4YY -0.00327 -0.00135 -0.00063 -0.00155 -0.00006 48 4ZZ 0.00504 0.00294 0.00127 0.00195 -0.00001 49 4XY 0.00157 0.00218 0.00039 0.00176 -0.00021 50 4XZ 0.00427 0.00195 0.00210 0.00269 -0.00029 51 4YZ 0.00350 0.00122 0.00439 0.00115 0.00003 52 7 H 1S 0.04674 0.01855 0.02232 0.01053 0.00011 53 2S 0.05480 0.02526 0.03401 0.01963 -0.00052 54 8 C 1S 0.00431 -0.00701 0.00817 -0.00353 0.00124 55 2S 0.01307 0.02200 -0.02864 0.01408 -0.00314 56 2PX -0.07371 -0.02164 0.07236 -0.04436 0.00523 57 2PY 0.11593 0.04868 -0.08075 0.04132 -0.00136 58 2PZ -0.04985 -0.03345 0.07855 -0.00985 0.00121 59 3S -0.02545 0.01241 -0.00495 0.00384 -0.00148 60 3PX -0.01736 -0.01023 0.03465 -0.01598 0.00298 61 3PY 0.02004 0.00920 -0.01945 0.00450 0.00061 62 3PZ 0.00219 -0.00874 0.03264 -0.00095 0.00024 63 4XX -0.00006 -0.00451 -0.00141 0.00067 0.00082 64 4YY 0.00194 0.00170 0.00286 0.00132 -0.00031 65 4ZZ -0.00041 0.00070 0.00052 -0.00353 -0.00026 66 4XY -0.00902 -0.00026 0.00331 -0.00350 -0.00003 67 4XZ 0.00348 -0.00216 -0.00158 -0.00221 0.00007 68 4YZ -0.01039 -0.00366 0.00353 -0.00008 0.00015 69 9 H 1S -0.05206 -0.01272 0.02698 -0.01143 -0.00132 70 2S -0.04277 -0.01535 0.03443 -0.01194 -0.00054 71 10 C 1S 0.01978 0.00696 -0.00269 0.00860 0.00036 72 2S -0.03999 -0.01537 0.00982 -0.01781 -0.00085 73 2PX 0.00434 -0.04248 0.00168 -0.02937 0.00728 74 2PY -0.08447 -0.03278 -0.01090 -0.01885 -0.00048 75 2PZ 0.05174 0.03388 -0.04176 0.02249 -0.00173 76 3S -0.04266 -0.01781 -0.02842 -0.02546 -0.00057 77 3PX 0.00184 -0.03172 0.00724 -0.01662 0.00454 78 3PY -0.02403 -0.00844 -0.02261 -0.00104 -0.00022 79 3PZ 0.01548 0.01617 -0.00249 0.01145 -0.00089 80 4XX 0.00278 0.00045 -0.00073 0.00146 0.00003 81 4YY -0.00327 -0.00135 0.00063 -0.00155 -0.00006 82 4ZZ 0.00504 0.00294 -0.00127 0.00195 -0.00001 83 4XY -0.00157 -0.00218 0.00039 -0.00176 0.00021 84 4XZ 0.00427 0.00195 -0.00210 0.00269 -0.00029 85 4YZ -0.00350 -0.00122 0.00439 -0.00115 -0.00003 86 11 H 1S 0.04674 0.01855 -0.02231 0.01053 0.00011 87 2S 0.05480 0.02526 -0.03400 0.01963 -0.00052 88 12 C 1S 0.00916 0.00343 -0.00063 -0.00383 -0.00114 89 2S -0.02067 -0.00560 0.00343 0.00479 0.00189 90 2PX 0.05280 -0.00039 -0.00474 -0.00987 -0.00817 91 2PY -0.00509 0.00371 -0.00283 -0.01948 -0.00089 92 2PZ -0.02006 -0.00294 -0.00597 -0.01329 0.00356 93 3S -0.03456 -0.01294 0.00064 0.01409 0.00397 94 3PX 0.03148 -0.00020 0.00434 -0.00486 -0.00506 95 3PY 0.00632 0.00293 -0.00650 -0.01108 -0.00106 96 3PZ -0.02402 -0.00529 0.00196 -0.00358 0.00355 97 4XX 0.00227 0.00193 -0.00087 -0.00094 -0.00032 98 4YY -0.00081 -0.00026 0.00003 0.00001 0.00003 99 4ZZ -0.00033 -0.00079 0.00059 0.00103 0.00014 100 4XY 0.00085 -0.00041 0.00066 -0.00010 -0.00018 101 4XZ 0.00044 -0.00007 -0.00007 0.00078 -0.00008 102 4YZ -0.00125 -0.00007 0.00037 0.00044 0.00021 103 13 C 1S 0.00062 0.00108 0.00115 0.00135 0.00049 104 2S 0.00275 0.00030 -0.00412 0.00119 -0.00099 105 2PX -0.01972 0.00327 0.01019 -0.00966 0.00025 106 2PY 0.01103 0.00307 -0.00115 0.00389 -0.00091 107 2PZ -0.00046 0.00234 -0.00150 0.01144 0.00137 108 3S 0.01219 0.00065 -0.00567 -0.00655 -0.00138 109 3PX -0.01277 0.00057 0.00635 -0.00405 0.00005 110 3PY 0.00665 0.00629 -0.00402 -0.00373 -0.00167 111 3PZ -0.00033 -0.00307 0.00229 0.00709 0.00048 112 4XX -0.00270 -0.00058 0.00076 0.00023 0.00041 113 4YY 0.00105 0.00031 -0.00069 -0.00036 -0.00013 114 4ZZ 0.00113 0.00059 -0.00013 0.00062 -0.00017 115 4XY 0.00332 0.00077 -0.00071 0.00143 -0.00018 116 4XZ 0.00059 0.00025 -0.00022 0.00083 -0.00005 117 4YZ -0.00213 0.00027 0.00027 -0.00010 0.00028 118 14 C 1S 0.00104 -0.00053 0.00006 -0.00081 -0.00001 119 2S -0.00030 0.00318 -0.00023 0.00311 -0.00003 120 2PX -0.00255 -0.00809 0.00196 -0.00516 0.00149 121 2PY -0.00121 -0.00308 -0.00047 -0.00281 -0.00002 122 2PZ 0.00200 0.00070 -0.00160 -0.00593 -0.00167 123 3S -0.00075 0.00176 -0.00004 0.00530 0.00112 124 3PX -0.00169 -0.00422 0.00225 -0.00234 0.00082 125 3PY 0.00005 -0.00259 0.00145 -0.00139 -0.00009 126 3PZ 0.00024 0.00217 -0.00228 -0.00464 -0.00137 127 4XX -0.00002 -0.00027 -0.00026 0.00007 0.00006 128 4YY -0.00043 0.00010 0.00010 0.00005 0.00000 129 4ZZ 0.00012 0.00023 0.00004 -0.00029 -0.00010 130 4XY 0.00022 -0.00016 -0.00020 0.00029 0.00006 131 4XZ 0.00035 0.00023 -0.00015 0.00013 -0.00006 132 4YZ -0.00062 0.00007 0.00021 -0.00021 -0.00003 133 15 C 1S 0.00104 -0.00053 -0.00007 -0.00081 -0.00001 134 2S -0.00030 0.00318 0.00023 0.00311 -0.00003 135 2PX -0.00255 -0.00809 -0.00196 -0.00516 0.00149 136 2PY 0.00121 0.00308 -0.00047 0.00281 0.00002 137 2PZ 0.00200 0.00070 0.00160 -0.00593 -0.00167 138 3S -0.00074 0.00177 0.00004 0.00530 0.00112 139 3PX -0.00169 -0.00422 -0.00225 -0.00234 0.00082 140 3PY -0.00005 0.00259 0.00145 0.00139 0.00009 141 3PZ 0.00024 0.00216 0.00228 -0.00464 -0.00137 142 4XX -0.00002 -0.00027 0.00026 0.00007 0.00006 143 4YY -0.00043 0.00010 -0.00010 0.00005 0.00000 144 4ZZ 0.00012 0.00023 -0.00004 -0.00029 -0.00010 145 4XY -0.00022 0.00016 -0.00020 -0.00029 -0.00006 146 4XZ 0.00035 0.00023 0.00015 0.00013 -0.00006 147 4YZ 0.00062 -0.00007 0.00021 0.00021 0.00003 148 16 C 1S 0.00062 0.00108 -0.00115 0.00134 0.00048 149 2S 0.00275 0.00029 0.00411 0.00119 -0.00099 150 2PX -0.01971 0.00328 -0.01019 -0.00965 0.00024 151 2PY -0.01102 -0.00306 -0.00115 -0.00389 0.00091 152 2PZ -0.00047 0.00235 0.00150 0.01144 0.00137 153 3S 0.01218 0.00064 0.00566 -0.00655 -0.00138 154 3PX -0.01275 0.00058 -0.00634 -0.00405 0.00005 155 3PY -0.00665 -0.00628 -0.00402 0.00373 0.00167 156 3PZ -0.00033 -0.00307 -0.00230 0.00709 0.00048 157 4XX -0.00270 -0.00058 -0.00076 0.00023 0.00041 158 4YY 0.00105 0.00031 0.00069 -0.00036 -0.00013 159 4ZZ 0.00113 0.00059 0.00013 0.00062 -0.00017 160 4XY -0.00332 -0.00077 -0.00071 -0.00143 0.00018 161 4XZ 0.00059 0.00025 0.00022 0.00083 -0.00005 162 4YZ 0.00213 -0.00027 0.00027 0.00010 -0.00028 163 17 C 1S 0.00916 0.00343 0.00062 -0.00383 -0.00113 164 2S -0.02066 -0.00560 -0.00343 0.00479 0.00189 165 2PX 0.05279 -0.00040 0.00473 -0.00988 -0.00817 166 2PY 0.00509 -0.00370 -0.00284 0.01948 0.00089 167 2PZ -0.02006 -0.00295 0.00598 -0.01329 0.00356 168 3S -0.03453 -0.01292 -0.00064 0.01408 0.00396 169 3PX 0.03148 -0.00021 -0.00434 -0.00486 -0.00505 170 3PY -0.00632 -0.00293 -0.00651 0.01107 0.00106 171 3PZ -0.02401 -0.00528 -0.00195 -0.00358 0.00355 172 4XX 0.00227 0.00193 0.00087 -0.00094 -0.00032 173 4YY -0.00081 -0.00026 -0.00003 0.00001 0.00003 174 4ZZ -0.00033 -0.00079 -0.00059 0.00103 0.00014 175 4XY -0.00085 0.00041 0.00066 0.00010 0.00018 176 4XZ 0.00044 -0.00007 0.00007 0.00078 -0.00008 177 4YZ 0.00125 0.00007 0.00037 -0.00044 -0.00021 178 18 H 1S -0.00819 -0.00313 0.00681 0.01566 0.00109 179 2S -0.00233 -0.00241 0.00620 0.00832 0.00050 180 19 H 1S 0.00159 -0.00009 -0.00020 -0.00181 -0.00022 181 2S 0.00401 -0.00036 -0.00013 -0.00157 -0.00043 182 20 H 1S 0.00159 -0.00009 0.00020 -0.00181 -0.00022 183 2S 0.00401 -0.00036 0.00013 -0.00157 -0.00043 184 21 H 1S -0.00818 -0.00312 -0.00681 0.01566 0.00109 185 2S -0.00233 -0.00240 -0.00620 0.00832 0.00050 186 22 O 1S -0.00475 -0.00143 -0.00146 -0.00081 0.00014 187 2S 0.00803 0.00148 0.00306 0.00100 -0.00011 188 2PX -0.05103 -0.00739 -0.01808 -0.01648 0.00258 189 2PY 0.02350 0.00417 0.00314 0.01205 -0.00050 190 2PZ 0.01828 -0.00311 0.00358 0.00839 -0.00196 191 3S 0.01699 0.00855 0.00601 0.00311 -0.00138 192 3PX -0.03579 -0.00635 -0.01205 -0.01109 0.00204 193 3PY 0.01372 0.00091 0.00135 0.00691 -0.00007 194 3PZ 0.01473 -0.00135 0.00311 0.00470 -0.00171 195 4XX 0.00003 -0.00040 -0.00010 0.00021 0.00009 196 4YY -0.00184 -0.00050 -0.00031 -0.00084 0.00007 197 4ZZ 0.00005 -0.00028 -0.00003 0.00012 0.00004 198 4XY 0.00261 0.00029 0.00106 0.00096 -0.00013 199 4XZ -0.00047 -0.00001 -0.00011 -0.00009 0.00002 200 4YZ -0.00080 0.00003 -0.00026 -0.00061 0.00005 201 23 O 1S -0.00475 -0.00143 0.00146 -0.00081 0.00014 202 2S 0.00804 0.00148 -0.00306 0.00101 -0.00011 203 2PX -0.05104 -0.00741 0.01808 -0.01648 0.00258 204 2PY -0.02352 -0.00418 0.00315 -0.01206 0.00050 205 2PZ 0.01828 -0.00311 -0.00359 0.00839 -0.00196 206 3S 0.01700 0.00856 -0.00601 0.00312 -0.00138 207 3PX -0.03579 -0.00636 0.01205 -0.01109 0.00204 208 3PY -0.01373 -0.00092 0.00136 -0.00692 0.00007 209 3PZ 0.01473 -0.00135 -0.00311 0.00470 -0.00171 210 4XX 0.00003 -0.00040 0.00010 0.00021 0.00009 211 4YY -0.00185 -0.00050 0.00031 -0.00084 0.00007 212 4ZZ 0.00005 -0.00028 0.00003 0.00012 0.00004 213 4XY -0.00261 -0.00029 0.00106 -0.00096 0.00013 214 4XZ -0.00047 -0.00001 0.00011 -0.00009 0.00002 215 4YZ 0.00080 -0.00003 -0.00026 0.00061 -0.00005 11 12 13 14 15 11 4YY 0.00134 12 4ZZ -0.00051 0.00194 13 4XY 0.00000 0.00000 0.00090 14 4XZ 0.00031 0.00020 0.00000 0.00065 15 4YZ 0.00000 0.00000 0.00028 0.00000 0.00093 16 2 H 1S -0.00789 -0.00638 0.00000 -0.00847 0.00000 17 2S -0.00560 -0.00649 0.00000 -0.00740 0.00000 18 3 H 1S -0.00865 0.01636 0.00000 -0.00084 0.00000 19 2S -0.00620 0.01511 0.00000 -0.00024 0.00000 20 4 C 1S -0.00353 0.00046 -0.00377 -0.00243 -0.00390 21 2S 0.00600 -0.00126 0.00763 0.00456 0.00781 22 2PX -0.00377 0.00114 0.00485 0.00033 -0.00831 23 2PY 0.00469 -0.00002 -0.00745 -0.00600 -0.00791 24 2PZ -0.00645 0.00937 -0.00751 0.00077 0.00233 25 3S 0.00802 -0.00492 0.00714 0.00390 0.00691 26 3PX -0.00192 -0.00031 0.00445 0.00028 -0.00536 27 3PY 0.00138 0.00123 -0.00167 -0.00201 -0.00273 28 3PZ -0.00254 0.00315 -0.00585 0.00009 0.00202 29 4XX -0.00043 -0.00039 0.00008 -0.00050 -0.00022 30 4YY 0.00059 -0.00041 -0.00035 0.00019 -0.00041 31 4ZZ -0.00055 0.00092 -0.00015 -0.00006 0.00011 32 4XY -0.00013 -0.00016 0.00017 -0.00005 0.00025 33 4XZ -0.00006 -0.00002 0.00027 0.00009 0.00014 34 4YZ -0.00010 -0.00012 0.00018 0.00004 0.00005 35 5 H 1S 0.00672 -0.00234 -0.00168 -0.00134 -0.00180 36 2S 0.00420 -0.00191 -0.00440 -0.00137 -0.00305 37 6 C 1S 0.00094 -0.00205 -0.00023 -0.00046 -0.00130 38 2S -0.00196 0.00461 0.00005 0.00103 0.00276 39 2PX 0.00089 -0.00879 0.00395 -0.00036 -0.00506 40 2PY -0.00078 0.00048 -0.00089 0.00094 0.00045 41 2PZ 0.00427 -0.00638 -0.00211 -0.00448 -0.00417 42 3S -0.00303 0.00581 0.00429 -0.00098 0.00166 43 3PX 0.00073 -0.00545 0.00285 0.00026 -0.00258 44 3PY -0.00113 0.00119 -0.00263 0.00033 -0.00040 45 3PZ 0.00202 -0.00254 -0.00259 -0.00127 0.00026 46 4XX 0.00010 -0.00023 -0.00013 -0.00013 0.00002 47 4YY 0.00006 0.00007 -0.00024 -0.00011 -0.00039 48 4ZZ 0.00011 -0.00022 0.00039 0.00030 0.00018 49 4XY -0.00004 0.00018 0.00028 0.00000 -0.00030 50 4XZ 0.00015 0.00002 -0.00011 0.00014 0.00034 51 4YZ -0.00011 -0.00012 -0.00003 0.00018 -0.00018 52 7 H 1S 0.00096 -0.00257 0.00012 -0.00062 -0.00160 53 2S 0.00135 -0.00282 0.00117 0.00024 -0.00187 54 8 C 1S -0.00353 0.00046 0.00377 -0.00243 0.00390 55 2S 0.00600 -0.00126 -0.00764 0.00456 -0.00781 56 2PX -0.00378 0.00114 -0.00484 0.00033 0.00831 57 2PY -0.00469 0.00002 -0.00745 0.00600 -0.00791 58 2PZ -0.00645 0.00937 0.00751 0.00077 -0.00233 59 3S 0.00802 -0.00492 -0.00714 0.00390 -0.00691 60 3PX -0.00192 -0.00031 -0.00444 0.00028 0.00536 61 3PY -0.00138 -0.00123 -0.00167 0.00201 -0.00273 62 3PZ -0.00254 0.00315 0.00585 0.00009 -0.00202 63 4XX -0.00043 -0.00039 -0.00008 -0.00050 0.00022 64 4YY 0.00059 -0.00041 0.00035 0.00019 0.00041 65 4ZZ -0.00055 0.00092 0.00015 -0.00006 -0.00011 66 4XY 0.00013 0.00016 0.00017 0.00005 0.00025 67 4XZ -0.00006 -0.00002 -0.00027 0.00009 -0.00014 68 4YZ 0.00010 0.00012 0.00018 -0.00004 0.00005 69 9 H 1S 0.00672 -0.00234 0.00168 -0.00134 0.00180 70 2S 0.00420 -0.00191 0.00440 -0.00137 0.00305 71 10 C 1S 0.00094 -0.00205 0.00023 -0.00046 0.00131 72 2S -0.00196 0.00461 -0.00005 0.00103 -0.00276 73 2PX 0.00089 -0.00879 -0.00394 -0.00036 0.00507 74 2PY 0.00078 -0.00048 -0.00089 -0.00094 0.00045 75 2PZ 0.00427 -0.00638 0.00211 -0.00448 0.00417 76 3S -0.00303 0.00581 -0.00429 -0.00098 -0.00166 77 3PX 0.00073 -0.00545 -0.00284 0.00025 0.00258 78 3PY 0.00113 -0.00119 -0.00263 -0.00033 -0.00040 79 3PZ 0.00202 -0.00254 0.00259 -0.00127 -0.00026 80 4XX 0.00010 -0.00023 0.00013 -0.00013 -0.00002 81 4YY 0.00006 0.00007 0.00024 -0.00011 0.00039 82 4ZZ 0.00011 -0.00022 -0.00039 0.00030 -0.00018 83 4XY 0.00004 -0.00018 0.00028 0.00000 -0.00030 84 4XZ 0.00015 0.00002 0.00011 0.00014 -0.00034 85 4YZ 0.00011 0.00012 -0.00003 -0.00018 -0.00018 86 11 H 1S 0.00096 -0.00257 -0.00012 -0.00062 0.00160 87 2S 0.00135 -0.00282 -0.00117 0.00024 0.00187 88 12 C 1S 0.00028 0.00042 0.00029 0.00054 -0.00015 89 2S -0.00066 -0.00091 -0.00007 -0.00135 0.00045 90 2PX 0.00301 0.00410 0.00464 0.00308 -0.00247 91 2PY -0.00002 -0.00057 -0.00025 -0.00071 -0.00024 92 2PZ -0.00146 -0.00154 -0.00268 -0.00096 0.00067 93 3S -0.00059 -0.00235 -0.00164 -0.00205 -0.00093 94 3PX 0.00243 0.00205 0.00379 0.00243 -0.00186 95 3PY -0.00007 0.00042 -0.00129 0.00027 -0.00073 96 3PZ -0.00128 -0.00146 -0.00231 -0.00122 0.00062 97 4XX 0.00015 0.00009 -0.00016 0.00021 0.00000 98 4YY 0.00000 -0.00004 0.00009 -0.00009 0.00000 99 4ZZ -0.00005 0.00000 -0.00002 0.00001 0.00008 100 4XY 0.00014 0.00005 -0.00028 0.00005 0.00020 101 4XZ -0.00003 0.00014 0.00024 -0.00007 -0.00007 102 4YZ -0.00009 -0.00011 0.00016 -0.00007 -0.00005 103 13 C 1S -0.00006 -0.00027 -0.00043 -0.00005 0.00013 104 2S 0.00020 0.00072 0.00105 0.00025 -0.00068 105 2PX 0.00003 -0.00067 -0.00026 -0.00004 0.00046 106 2PY 0.00030 0.00084 0.00097 0.00057 -0.00054 107 2PZ -0.00052 -0.00067 -0.00162 -0.00080 0.00087 108 3S -0.00017 0.00138 0.00018 0.00047 0.00034 109 3PX 0.00048 -0.00043 0.00024 0.00019 -0.00002 110 3PY 0.00011 0.00119 0.00065 0.00012 -0.00027 111 3PZ 0.00009 -0.00020 -0.00011 -0.00036 0.00038 112 4XX -0.00013 -0.00018 -0.00020 -0.00010 0.00013 113 4YY 0.00004 -0.00001 0.00004 0.00002 -0.00006 114 4ZZ 0.00008 0.00010 0.00010 0.00007 -0.00006 115 4XY 0.00005 0.00002 0.00014 0.00006 -0.00008 116 4XZ 0.00000 0.00005 0.00011 0.00000 -0.00005 117 4YZ -0.00012 -0.00015 -0.00024 -0.00012 0.00016 118 14 C 1S 0.00002 0.00007 0.00002 0.00011 -0.00003 119 2S -0.00013 0.00003 -0.00001 -0.00018 0.00005 120 2PX -0.00075 -0.00116 0.00039 -0.00011 -0.00029 121 2PY 0.00006 0.00009 0.00010 0.00006 -0.00011 122 2PZ 0.00084 0.00136 -0.00012 0.00041 -0.00010 123 3S -0.00044 -0.00095 -0.00079 -0.00041 0.00043 124 3PX -0.00060 -0.00046 0.00031 -0.00017 -0.00006 125 3PY 0.00022 0.00000 0.00015 0.00015 0.00005 126 3PZ 0.00062 0.00106 -0.00008 0.00028 0.00003 127 4XX -0.00003 -0.00001 -0.00003 -0.00002 0.00000 128 4YY -0.00001 0.00002 0.00000 -0.00002 0.00000 129 4ZZ 0.00003 0.00006 0.00006 0.00004 -0.00004 130 4XY -0.00003 -0.00005 -0.00003 -0.00001 0.00002 131 4XZ 0.00001 0.00005 0.00004 0.00001 -0.00003 132 4YZ 0.00002 0.00004 -0.00001 0.00000 0.00002 133 15 C 1S 0.00002 0.00007 -0.00002 0.00011 0.00003 134 2S -0.00013 0.00003 0.00001 -0.00018 -0.00005 135 2PX -0.00075 -0.00116 -0.00039 -0.00011 0.00029 136 2PY -0.00006 -0.00009 0.00010 -0.00006 -0.00011 137 2PZ 0.00084 0.00136 0.00012 0.00041 0.00010 138 3S -0.00044 -0.00095 0.00079 -0.00041 -0.00043 139 3PX -0.00060 -0.00046 -0.00031 -0.00017 0.00006 140 3PY -0.00022 0.00000 0.00015 -0.00015 0.00005 141 3PZ 0.00062 0.00106 0.00008 0.00028 -0.00003 142 4XX -0.00003 -0.00001 0.00003 -0.00002 0.00000 143 4YY -0.00001 0.00002 0.00000 -0.00002 0.00000 144 4ZZ 0.00003 0.00006 -0.00006 0.00004 0.00004 145 4XY 0.00003 0.00005 -0.00003 0.00001 0.00002 146 4XZ 0.00001 0.00005 -0.00004 0.00001 0.00003 147 4YZ -0.00002 -0.00004 -0.00001 0.00000 0.00002 148 16 C 1S -0.00006 -0.00027 0.00043 -0.00005 -0.00013 149 2S 0.00020 0.00072 -0.00105 0.00025 0.00068 150 2PX 0.00003 -0.00067 0.00026 -0.00004 -0.00046 151 2PY -0.00030 -0.00084 0.00097 -0.00057 -0.00054 152 2PZ -0.00052 -0.00067 0.00162 -0.00080 -0.00087 153 3S -0.00017 0.00138 -0.00018 0.00047 -0.00034 154 3PX 0.00048 -0.00043 -0.00024 0.00019 0.00002 155 3PY -0.00011 -0.00119 0.00065 -0.00012 -0.00027 156 3PZ 0.00009 -0.00020 0.00011 -0.00036 -0.00038 157 4XX -0.00013 -0.00018 0.00020 -0.00010 -0.00013 158 4YY 0.00004 -0.00001 -0.00004 0.00002 0.00006 159 4ZZ 0.00008 0.00010 -0.00010 0.00007 0.00006 160 4XY -0.00005 -0.00002 0.00014 -0.00006 -0.00008 161 4XZ 0.00000 0.00005 -0.00011 0.00000 0.00005 162 4YZ 0.00012 0.00015 -0.00024 0.00012 0.00016 163 17 C 1S 0.00028 0.00042 -0.00030 0.00054 0.00015 164 2S -0.00066 -0.00091 0.00007 -0.00135 -0.00045 165 2PX 0.00301 0.00410 -0.00465 0.00308 0.00247 166 2PY 0.00002 0.00057 -0.00025 0.00071 -0.00024 167 2PZ -0.00146 -0.00154 0.00268 -0.00096 -0.00067 168 3S -0.00058 -0.00235 0.00165 -0.00205 0.00093 169 3PX 0.00243 0.00205 -0.00380 0.00243 0.00186 170 3PY 0.00007 -0.00042 -0.00129 -0.00027 -0.00073 171 3PZ -0.00128 -0.00146 0.00231 -0.00122 -0.00062 172 4XX 0.00015 0.00009 0.00016 0.00021 0.00000 173 4YY 0.00000 -0.00004 -0.00009 -0.00009 0.00000 174 4ZZ -0.00005 0.00000 0.00002 0.00001 -0.00008 175 4XY -0.00014 -0.00005 -0.00028 -0.00005 0.00020 176 4XZ -0.00003 0.00014 -0.00024 -0.00007 0.00007 177 4YZ 0.00009 0.00011 0.00016 0.00007 -0.00005 178 18 H 1S -0.00031 -0.00015 0.00071 -0.00055 0.00033 179 2S -0.00036 0.00040 0.00071 -0.00017 0.00012 180 19 H 1S 0.00003 0.00013 0.00018 0.00008 -0.00020 181 2S 0.00021 0.00022 0.00045 0.00027 -0.00039 182 20 H 1S 0.00003 0.00013 -0.00018 0.00008 0.00020 183 2S 0.00021 0.00022 -0.00045 0.00027 0.00039 184 21 H 1S -0.00031 -0.00015 -0.00071 -0.00056 -0.00033 185 2S -0.00036 0.00040 -0.00071 -0.00017 -0.00012 186 22 O 1S 0.00003 0.00007 -0.00007 -0.00004 -0.00007 187 2S -0.00008 -0.00033 0.00025 0.00005 0.00012 188 2PX -0.00060 -0.00040 0.00188 -0.00059 -0.00144 189 2PY 0.00022 0.00035 -0.00065 0.00052 0.00048 190 2PZ 0.00103 0.00114 -0.00237 0.00094 0.00163 191 3S 0.00010 0.00051 -0.00029 0.00009 0.00055 192 3PX -0.00059 -0.00026 0.00142 -0.00052 -0.00107 193 3PY 0.00012 -0.00002 -0.00033 0.00035 0.00017 194 3PZ 0.00080 0.00097 -0.00189 0.00082 0.00130 195 4XX -0.00001 -0.00006 0.00003 0.00000 -0.00003 196 4YY -0.00002 -0.00003 0.00004 -0.00002 -0.00002 197 4ZZ 0.00000 -0.00003 0.00001 0.00002 0.00000 198 4XY 0.00003 0.00004 -0.00009 0.00003 0.00008 199 4XZ -0.00001 0.00000 0.00001 -0.00001 -0.00001 200 4YZ -0.00002 -0.00004 0.00005 -0.00002 -0.00004 201 23 O 1S 0.00003 0.00007 0.00007 -0.00004 0.00007 202 2S -0.00008 -0.00033 -0.00025 0.00005 -0.00012 203 2PX -0.00060 -0.00040 -0.00188 -0.00059 0.00144 204 2PY -0.00022 -0.00035 -0.00065 -0.00052 0.00048 205 2PZ 0.00103 0.00114 0.00237 0.00094 -0.00163 206 3S 0.00010 0.00051 0.00029 0.00009 -0.00055 207 3PX -0.00059 -0.00026 -0.00142 -0.00052 0.00107 208 3PY -0.00012 0.00001 -0.00033 -0.00035 0.00017 209 3PZ 0.00080 0.00096 0.00189 0.00082 -0.00130 210 4XX -0.00001 -0.00006 -0.00003 0.00000 0.00003 211 4YY -0.00002 -0.00003 -0.00004 -0.00002 0.00002 212 4ZZ 0.00000 -0.00003 -0.00001 0.00002 0.00000 213 4XY -0.00003 -0.00004 -0.00009 -0.00003 0.00008 214 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00001 215 4YZ 0.00002 0.00004 0.00005 0.00002 -0.00004 16 17 18 19 20 16 2 H 1S 0.21008 17 2S 0.15714 0.14023 18 3 H 1S -0.02397 -0.04469 0.21453 19 2S -0.04396 -0.04355 0.15997 0.14144 20 4 C 1S 0.00917 0.01373 0.00792 0.01097 2.05589 21 2S -0.02463 -0.03127 -0.01694 -0.02029 -0.06329 22 2PX -0.00059 0.02441 0.01894 0.01335 0.00144 23 2PY 0.01687 0.03500 0.01545 0.02754 -0.00371 24 2PZ 0.01760 0.02264 0.02690 0.05866 -0.00188 25 3S -0.02693 -0.02701 -0.03784 -0.04636 -0.20670 26 3PX 0.00656 0.01419 0.00582 -0.00096 -0.00760 27 3PY 0.00458 0.00821 0.01044 0.01928 0.01131 28 3PZ 0.00978 0.00745 0.01180 0.01929 0.00377 29 4XX 0.00754 0.00735 -0.00182 -0.00210 -0.01098 30 4YY -0.00194 -0.00319 -0.00247 -0.00361 -0.01914 31 4ZZ -0.00195 -0.00093 0.00737 0.00789 -0.01373 32 4XY 0.00360 0.00104 -0.00104 -0.00175 0.00043 33 4XZ 0.00188 -0.00046 0.00188 -0.00067 -0.00236 34 4YZ -0.00086 -0.00200 0.00254 -0.00032 0.00163 35 5 H 1S -0.00537 -0.00174 -0.00896 -0.00739 -0.06319 36 2S -0.00065 0.00107 -0.00672 -0.00711 -0.01548 37 6 C 1S 0.00094 -0.00010 -0.00814 -0.01159 0.01657 38 2S -0.00319 -0.00104 0.01957 0.02717 -0.03336 39 2PX 0.03758 0.02063 -0.02716 -0.07057 0.00864 40 2PY -0.00223 -0.00165 0.00428 0.00163 -0.02731 41 2PZ -0.00621 -0.00296 -0.01957 -0.02957 0.07320 42 3S 0.00201 0.00935 0.03771 0.04765 0.01490 43 3PX 0.02692 0.01171 -0.02105 -0.04776 -0.00836 44 3PY -0.00006 0.00112 0.00939 0.00868 -0.00691 45 3PZ -0.00511 -0.00204 -0.01151 -0.01373 0.00323 46 4XX 0.00095 0.00048 -0.00112 -0.00126 0.00151 47 4YY -0.00008 0.00004 0.00094 0.00096 0.00247 48 4ZZ -0.00144 -0.00165 -0.00183 -0.00260 -0.00512 49 4XY -0.00117 -0.00060 0.00024 0.00147 0.00109 50 4XZ -0.00091 -0.00199 -0.00131 -0.00077 -0.00204 51 4YZ -0.00041 -0.00107 -0.00127 -0.00198 0.00382 52 7 H 1S -0.00114 -0.00297 -0.00914 -0.01888 0.01288 53 2S -0.00722 -0.01107 -0.01636 -0.02360 0.01728 54 8 C 1S 0.00917 0.01373 0.00792 0.01097 -0.00488 55 2S -0.02463 -0.03127 -0.01694 -0.02029 0.00911 56 2PX -0.00059 0.02441 0.01894 0.01335 0.00609 57 2PY -0.01687 -0.03500 -0.01545 -0.02755 0.01323 58 2PZ 0.01760 0.02264 0.02690 0.05866 0.00342 59 3S -0.02694 -0.02703 -0.03784 -0.04636 0.02222 60 3PX 0.00655 0.01418 0.00583 -0.00095 0.00604 61 3PY -0.00458 -0.00821 -0.01044 -0.01928 0.01036 62 3PZ 0.00978 0.00746 0.01180 0.01929 -0.00039 63 4XX 0.00754 0.00735 -0.00182 -0.00210 0.00056 64 4YY -0.00194 -0.00319 -0.00247 -0.00361 -0.00298 65 4ZZ -0.00195 -0.00093 0.00736 0.00789 0.00081 66 4XY -0.00360 -0.00104 0.00104 0.00175 -0.00010 67 4XZ 0.00188 -0.00046 0.00188 -0.00067 0.00029 68 4YZ 0.00086 0.00200 -0.00254 0.00032 0.00040 69 9 H 1S -0.00537 -0.00174 -0.00896 -0.00739 -0.00895 70 2S -0.00065 0.00107 -0.00672 -0.00711 -0.01124 71 10 C 1S 0.00094 -0.00010 -0.00814 -0.01159 -0.00485 72 2S -0.00319 -0.00104 0.01957 0.02717 0.01143 73 2PX 0.03757 0.02061 -0.02716 -0.07057 -0.00593 74 2PY 0.00224 0.00165 -0.00428 -0.00164 0.01039 75 2PZ -0.00620 -0.00296 -0.01958 -0.02957 -0.00934 76 3S 0.00201 0.00935 0.03771 0.04765 0.00619 77 3PX 0.02692 0.01170 -0.02105 -0.04776 -0.00047 78 3PY 0.00006 -0.00112 -0.00939 -0.00869 0.00307 79 3PZ -0.00511 -0.00204 -0.01151 -0.01373 0.00261 80 4XX 0.00095 0.00048 -0.00112 -0.00126 -0.00010 81 4YY -0.00008 0.00004 0.00094 0.00096 -0.00149 82 4ZZ -0.00144 -0.00165 -0.00183 -0.00260 0.00006 83 4XY 0.00117 0.00060 -0.00024 -0.00147 0.00019 84 4XZ -0.00091 -0.00199 -0.00131 -0.00077 -0.00037 85 4YZ 0.00041 0.00106 0.00127 0.00198 0.00241 86 11 H 1S -0.00114 -0.00297 -0.00914 -0.01888 -0.00896 87 2S -0.00722 -0.01107 -0.01637 -0.02361 -0.01359 88 12 C 1S -0.00541 -0.00776 0.00460 0.00058 -0.00132 89 2S 0.01041 0.01598 -0.00834 -0.00143 0.00220 90 2PX -0.03257 -0.07261 0.02095 0.01126 -0.01083 91 2PY -0.00193 -0.00177 0.00121 -0.00937 0.00193 92 2PZ 0.01282 0.03247 -0.00171 -0.00843 0.00764 93 3S 0.02442 0.03525 -0.02599 -0.01280 0.00296 94 3PX -0.02303 -0.04943 0.00818 0.00173 -0.00715 95 3PY -0.00592 -0.00927 0.00800 0.00087 -0.00014 96 3PZ 0.01597 0.03247 -0.00704 -0.00644 0.00881 97 4XX -0.00286 -0.00323 0.00146 0.00033 -0.00034 98 4YY 0.00049 0.00067 -0.00046 -0.00027 0.00001 99 4ZZ 0.00086 0.00078 -0.00053 0.00016 -0.00017 100 4XY -0.00055 -0.00173 0.00021 0.00012 0.00035 101 4XZ 0.00017 -0.00002 0.00063 0.00145 -0.00011 102 4YZ 0.00099 0.00182 -0.00077 -0.00047 -0.00047 103 13 C 1S 0.00151 0.00321 -0.00202 -0.00129 0.00044 104 2S -0.00432 -0.00689 0.00337 0.00424 -0.00078 105 2PX -0.00004 0.00475 -0.00310 -0.00712 -0.00151 106 2PY -0.00482 -0.00783 0.00388 0.00592 -0.00140 107 2PZ 0.00687 0.01284 -0.00502 0.00248 0.00328 108 3S -0.00682 -0.01256 0.01482 0.01038 -0.00330 109 3PX -0.00153 0.00031 -0.00504 -0.00615 -0.00017 110 3PY -0.00855 -0.00977 0.01013 0.00916 -0.00103 111 3PZ 0.00456 0.00445 -0.00493 0.00029 0.00150 112 4XX 0.00171 0.00337 -0.00105 -0.00065 0.00055 113 4YY -0.00056 -0.00096 0.00011 -0.00032 -0.00007 114 4ZZ -0.00096 -0.00171 0.00017 0.00048 -0.00023 115 4XY -0.00079 -0.00141 0.00015 0.00033 -0.00030 116 4XZ -0.00021 -0.00031 0.00011 0.00066 -0.00014 117 4YZ 0.00127 0.00297 -0.00070 -0.00077 0.00058 118 14 C 1S -0.00036 -0.00119 0.00058 0.00016 -0.00005 119 2S -0.00030 0.00240 -0.00040 0.00166 0.00020 120 2PX 0.00894 0.01236 -0.00332 -0.00810 -0.00083 121 2PY -0.00028 -0.00178 0.00101 -0.00071 -0.00063 122 2PZ -0.00935 -0.01749 0.00593 0.00504 0.00025 123 3S 0.00565 0.01004 -0.00536 -0.00463 0.00183 124 3PX 0.00517 0.00829 -0.00032 -0.00192 -0.00031 125 3PY -0.00019 -0.00214 -0.00056 -0.00153 0.00024 126 3PZ -0.00793 -0.01297 0.00524 0.00459 -0.00040 127 4XX 0.00034 0.00040 -0.00004 0.00003 0.00015 128 4YY -0.00005 0.00014 0.00006 0.00027 0.00003 129 4ZZ -0.00056 -0.00073 0.00031 0.00021 -0.00011 130 4XY 0.00035 0.00052 -0.00020 -0.00015 -0.00007 131 4XZ -0.00030 -0.00034 0.00023 0.00038 0.00001 132 4YZ -0.00022 -0.00030 0.00013 0.00019 -0.00001 133 15 C 1S -0.00036 -0.00119 0.00058 0.00016 -0.00002 134 2S -0.00030 0.00240 -0.00040 0.00166 0.00075 135 2PX 0.00894 0.01236 -0.00332 -0.00810 -0.00164 136 2PY 0.00028 0.00178 -0.00101 0.00071 0.00059 137 2PZ -0.00935 -0.01749 0.00592 0.00504 -0.00001 138 3S 0.00565 0.01003 -0.00536 -0.00463 -0.00125 139 3PX 0.00517 0.00829 -0.00032 -0.00192 0.00013 140 3PY 0.00020 0.00214 0.00056 0.00152 0.00073 141 3PZ -0.00793 -0.01296 0.00524 0.00459 0.00038 142 4XX 0.00034 0.00040 -0.00004 0.00003 0.00019 143 4YY -0.00005 0.00014 0.00006 0.00027 0.00007 144 4ZZ -0.00056 -0.00073 0.00031 0.00021 0.00017 145 4XY -0.00035 -0.00052 0.00020 0.00015 -0.00006 146 4XZ -0.00030 -0.00034 0.00023 0.00038 0.00009 147 4YZ 0.00022 0.00030 -0.00013 -0.00019 0.00006 148 16 C 1S 0.00151 0.00321 -0.00202 -0.00129 -0.00136 149 2S -0.00432 -0.00689 0.00337 0.00424 0.00287 150 2PX -0.00005 0.00474 -0.00310 -0.00712 -0.00431 151 2PY 0.00482 0.00783 -0.00388 -0.00592 -0.00208 152 2PZ 0.00687 0.01285 -0.00502 0.00248 0.00038 153 3S -0.00680 -0.01254 0.01481 0.01037 0.00673 154 3PX -0.00153 0.00030 -0.00503 -0.00615 -0.00416 155 3PY 0.00855 0.00977 -0.01013 -0.00916 0.00117 156 3PZ 0.00456 0.00444 -0.00493 0.00029 0.00040 157 4XX 0.00171 0.00337 -0.00105 -0.00065 -0.00087 158 4YY -0.00056 -0.00096 0.00011 -0.00032 0.00005 159 4ZZ -0.00096 -0.00171 0.00017 0.00048 0.00007 160 4XY 0.00079 0.00141 -0.00015 -0.00034 -0.00029 161 4XZ -0.00021 -0.00031 0.00011 0.00066 0.00054 162 4YZ -0.00127 -0.00297 0.00070 0.00077 0.00047 163 17 C 1S -0.00541 -0.00775 0.00460 0.00058 -0.00218 164 2S 0.01041 0.01597 -0.00834 -0.00143 0.00219 165 2PX -0.03257 -0.07262 0.02095 0.01125 0.00676 166 2PY 0.00193 0.00177 -0.00121 0.00937 0.00074 167 2PZ 0.01283 0.03247 -0.00171 -0.00843 -0.00720 168 3S 0.02440 0.03522 -0.02598 -0.01280 0.01396 169 3PX -0.02303 -0.04945 0.00819 0.00173 -0.00429 170 3PY 0.00592 0.00926 -0.00801 -0.00087 0.00076 171 3PZ 0.01596 0.03247 -0.00704 -0.00644 -0.00186 172 4XX -0.00285 -0.00323 0.00146 0.00033 -0.00141 173 4YY 0.00049 0.00067 -0.00046 -0.00027 -0.00017 174 4ZZ 0.00086 0.00078 -0.00053 0.00016 -0.00029 175 4XY 0.00055 0.00173 -0.00021 -0.00012 0.00080 176 4XZ 0.00017 -0.00002 0.00063 0.00145 0.00098 177 4YZ -0.00099 -0.00182 0.00077 0.00048 -0.00075 178 18 H 1S 0.00659 0.00754 -0.00616 0.00524 -0.00151 179 2S 0.00329 0.00285 0.00077 0.00730 -0.00097 180 19 H 1S -0.00095 -0.00172 0.00092 0.00004 0.00008 181 2S -0.00211 -0.00455 0.00128 0.00022 -0.00041 182 20 H 1S -0.00095 -0.00172 0.00092 0.00004 0.00004 183 2S -0.00211 -0.00455 0.00128 0.00022 -0.00004 184 21 H 1S 0.00659 0.00755 -0.00616 0.00524 0.00512 185 2S 0.00329 0.00284 0.00077 0.00730 0.00351 186 22 O 1S 0.00040 0.00027 -0.00013 0.00001 0.00002 187 2S 0.00007 0.00025 -0.00052 -0.00150 0.00104 188 2PX 0.01044 0.02175 -0.00394 -0.00371 -0.00671 189 2PY -0.00265 -0.00585 0.00092 0.00565 0.00220 190 2PZ -0.00951 -0.02378 0.00395 0.01008 0.00470 191 3S -0.00630 -0.00583 0.00512 0.00636 -0.00434 192 3PX 0.00895 0.01706 -0.00246 -0.00189 -0.00329 193 3PY -0.00038 -0.00286 -0.00059 0.00145 0.00274 194 3PZ -0.00874 -0.01976 0.00441 0.00775 0.00334 195 4XX 0.00044 0.00043 -0.00039 -0.00041 0.00048 196 4YY 0.00034 0.00052 -0.00020 -0.00056 0.00036 197 4ZZ 0.00020 -0.00001 -0.00026 -0.00027 0.00073 198 4XY -0.00055 -0.00117 0.00023 0.00035 0.00027 199 4XZ 0.00010 0.00026 -0.00006 -0.00004 -0.00001 200 4YZ 0.00027 0.00070 -0.00013 -0.00055 -0.00020 201 23 O 1S 0.00040 0.00027 -0.00013 0.00001 -0.00016 202 2S 0.00007 0.00025 -0.00052 -0.00150 0.00044 203 2PX 0.01043 0.02173 -0.00394 -0.00371 0.00265 204 2PY 0.00265 0.00585 -0.00092 -0.00566 0.00117 205 2PZ -0.00951 -0.02377 0.00395 0.01009 -0.00560 206 3S -0.00631 -0.00583 0.00512 0.00636 0.00056 207 3PX 0.00895 0.01705 -0.00246 -0.00189 0.00217 208 3PY 0.00038 0.00286 0.00059 -0.00145 0.00108 209 3PZ -0.00874 -0.01975 0.00441 0.00775 -0.00457 210 4XX 0.00044 0.00043 -0.00039 -0.00041 0.00004 211 4YY 0.00034 0.00052 -0.00020 -0.00056 0.00008 212 4ZZ 0.00020 -0.00001 -0.00026 -0.00027 -0.00007 213 4XY 0.00055 0.00116 -0.00023 -0.00035 0.00006 214 4XZ 0.00010 0.00026 -0.00006 -0.00004 0.00001 215 4YZ -0.00027 -0.00070 0.00013 0.00055 -0.00014 21 22 23 24 25 21 2S 0.33144 22 2PX -0.00652 0.31533 23 2PY -0.00249 0.00023 0.42634 24 2PZ 0.00428 0.03440 -0.01291 0.40305 25 3S 0.31133 0.03950 0.02360 -0.00878 0.34772 26 3PX 0.00542 0.18704 -0.01262 -0.02040 0.03012 27 3PY 0.00268 -0.01292 0.13325 -0.00872 -0.00642 28 3PZ -0.01380 -0.04064 0.00687 0.17272 -0.01840 29 4XX -0.01389 0.00440 -0.00349 -0.00535 -0.01166 30 4YY 0.00304 -0.00583 0.01410 -0.01207 0.00568 31 4ZZ -0.00740 0.00151 -0.00582 0.01397 -0.00882 32 4XY -0.00062 -0.00654 -0.01014 -0.00270 -0.00285 33 4XZ 0.00501 0.00331 -0.00318 -0.00146 0.00630 34 4YZ -0.00339 -0.00232 -0.00916 -0.00965 -0.00458 35 5 H 1S 0.11911 -0.03739 0.25553 -0.06628 0.13243 36 2S 0.02816 -0.04007 0.21197 -0.04176 0.04373 37 6 C 1S -0.03101 -0.01749 0.02191 -0.07273 -0.00804 38 2S 0.05699 0.03323 -0.03998 0.15474 0.03680 39 2PX -0.02149 0.16768 0.00469 -0.14989 0.03773 40 2PY 0.06165 0.02426 -0.01299 0.13055 0.02117 41 2PZ -0.14676 -0.12702 0.08655 -0.23934 -0.17103 42 3S 0.00960 0.05450 -0.06966 0.06873 -0.02746 43 3PX 0.00936 0.11320 -0.00683 -0.06963 0.05221 44 3PY 0.01093 0.00518 0.02186 0.08375 -0.00131 45 3PZ -0.02790 -0.06875 0.03436 -0.03617 -0.03124 46 4XX -0.00323 -0.00560 0.00179 -0.00420 -0.00296 47 4YY -0.00596 -0.00240 0.01058 -0.00786 -0.00533 48 4ZZ 0.00944 0.00452 -0.00880 0.00062 0.00842 49 4XY -0.00185 0.00261 -0.00242 -0.00344 -0.00462 50 4XZ 0.00372 -0.00964 -0.00364 0.00392 0.00072 51 4YZ -0.00713 -0.00296 -0.00677 -0.00782 -0.01033 52 7 H 1S -0.02707 -0.01153 -0.00321 -0.04706 -0.05735 53 2S -0.02976 -0.02321 -0.01818 -0.09172 -0.06036 54 8 C 1S 0.00911 0.00609 -0.01323 0.00342 0.02222 55 2S -0.02480 -0.01323 0.03585 -0.00192 -0.03425 56 2PX -0.01321 -0.10537 -0.00045 0.03550 -0.02551 57 2PY -0.03585 0.00043 0.03906 0.00363 -0.05770 58 2PZ -0.00194 0.03550 -0.00362 -0.04351 -0.07159 59 3S -0.03425 -0.02556 0.05771 -0.07157 -0.02905 60 3PX -0.00917 -0.08747 -0.00768 0.03728 -0.01713 61 3PY -0.01533 0.01744 0.01073 -0.03046 -0.01193 62 3PZ 0.00558 0.04919 -0.02651 -0.05366 -0.02181 63 4XX -0.00212 0.00046 0.00422 0.00314 -0.00082 64 4YY 0.00643 -0.00207 -0.01251 -0.00425 0.00839 65 4ZZ -0.00217 0.00169 0.00449 0.00158 -0.00502 66 4XY 0.00079 0.00199 -0.00089 -0.00053 0.00171 67 4XZ -0.00073 0.00094 0.00216 0.00125 0.00103 68 4YZ -0.00078 -0.00045 0.00072 -0.00037 -0.00162 69 9 H 1S 0.02099 -0.00330 -0.02900 -0.01434 0.04221 70 2S 0.02906 0.01437 -0.05706 -0.03237 0.05015 71 10 C 1S 0.01201 -0.00082 -0.01446 0.00750 0.01210 72 2S -0.02722 0.00379 0.03231 -0.02772 -0.03598 73 2PX 0.00885 -0.00496 -0.00545 0.00855 0.07494 74 2PY -0.03224 -0.01246 0.02039 -0.03873 -0.00512 75 2PZ 0.02209 -0.00810 -0.02272 -0.00028 0.07339 76 3S -0.03282 -0.02318 0.11011 0.05768 -0.03218 77 3PX 0.00087 -0.01543 0.00144 -0.00567 0.03708 78 3PY -0.01513 -0.01912 0.03796 0.00598 -0.00013 79 3PZ 0.00313 0.01222 -0.01493 -0.05755 0.01447 80 4XX 0.00046 0.00090 -0.00009 -0.00150 0.00074 81 4YY 0.00321 0.00139 -0.00444 0.00452 0.00463 82 4ZZ 0.00026 -0.00172 -0.00040 0.00095 -0.00041 83 4XY -0.00045 0.00840 0.00069 -0.00643 0.00129 84 4XZ 0.00096 0.00188 -0.00093 -0.00090 0.00029 85 4YZ -0.00511 -0.00473 0.00554 -0.00783 -0.00810 86 11 H 1S 0.02075 0.00406 -0.01551 0.02822 0.04451 87 2S 0.02908 -0.00064 -0.02823 0.06260 0.05036 88 12 C 1S 0.00423 0.00159 -0.00501 -0.00177 -0.00153 89 2S -0.00345 -0.00358 0.00693 0.00437 -0.00127 90 2PX 0.02677 0.01975 -0.01966 -0.02069 0.03338 91 2PY -0.00694 -0.02129 0.01449 0.01062 0.00500 92 2PZ -0.01873 -0.01249 0.01233 0.01575 -0.02242 93 3S -0.02522 -0.00810 0.04040 -0.00102 -0.01581 94 3PX 0.02162 0.02350 -0.02178 -0.03431 0.02720 95 3PY -0.00870 -0.01131 0.02224 0.01032 -0.00052 96 3PZ -0.02308 -0.01529 0.01287 0.00852 -0.02742 97 4XX 0.00064 -0.00125 -0.00065 0.00030 0.00113 98 4YY 0.00003 0.00015 -0.00001 -0.00007 0.00004 99 4ZZ 0.00044 -0.00020 -0.00026 0.00055 -0.00010 100 4XY -0.00044 -0.00661 0.00139 0.00291 0.00036 101 4XZ 0.00039 0.00229 -0.00045 -0.00109 -0.00031 102 4YZ 0.00046 0.00434 -0.00058 -0.00278 0.00140 103 13 C 1S -0.00118 -0.00336 0.00147 0.00165 0.00166 104 2S 0.00248 0.01222 -0.00461 -0.00574 -0.00240 105 2PX -0.00038 0.00014 0.00004 -0.00476 0.01536 106 2PY 0.00421 0.01194 -0.00597 -0.00571 0.00261 107 2PZ -0.00767 -0.02321 0.00955 0.01341 -0.00949 108 3S 0.00735 0.00069 -0.00436 0.01390 0.00591 109 3PX 0.00013 0.00368 -0.00482 -0.00874 0.00860 110 3PY 0.00453 0.00102 -0.00079 0.00150 0.00172 111 3PZ -0.00123 -0.01200 0.00116 0.00147 -0.00331 112 4XX -0.00108 -0.00053 0.00033 0.00095 -0.00076 113 4YY 0.00031 0.00031 0.00002 0.00009 0.00081 114 4ZZ 0.00081 0.00070 -0.00072 -0.00059 0.00051 115 4XY 0.00080 0.00160 -0.00075 -0.00130 -0.00018 116 4XZ 0.00033 0.00142 -0.00040 -0.00077 0.00004 117 4YZ -0.00117 -0.00250 0.00108 0.00168 -0.00270 118 14 C 1S 0.00040 0.00064 -0.00033 -0.00011 -0.00086 119 2S -0.00049 -0.00130 0.00088 0.00114 -0.00102 120 2PX -0.00151 0.02579 -0.00340 -0.00906 0.01162 121 2PY 0.00070 0.00252 -0.00023 0.00018 0.00774 122 2PZ 0.00210 -0.01984 0.00265 0.00669 -0.00460 123 3S -0.00718 -0.00659 0.00169 -0.00137 -0.00993 124 3PX -0.00094 0.01373 -0.00235 -0.00382 0.00474 125 3PY -0.00096 -0.00219 -0.00328 -0.00368 0.00074 126 3PZ 0.00295 -0.01487 0.00137 0.00708 -0.00078 127 4XX -0.00022 0.00010 0.00022 0.00037 -0.00056 128 4YY -0.00014 -0.00030 0.00012 0.00011 -0.00031 129 4ZZ 0.00033 0.00060 -0.00027 -0.00037 0.00034 130 4XY -0.00010 0.00025 0.00013 0.00008 0.00063 131 4XZ 0.00001 0.00021 -0.00009 -0.00012 -0.00040 132 4YZ -0.00011 -0.00054 0.00005 -0.00003 0.00013 133 15 C 1S 0.00021 0.00035 0.00018 -0.00051 0.00066 134 2S -0.00014 -0.00333 0.00000 0.00313 -0.00891 135 2PX -0.00116 0.01461 0.00208 -0.00161 0.02341 136 2PY 0.00039 -0.00008 -0.00064 0.00039 -0.01187 137 2PZ 0.00004 -0.01274 -0.00084 0.00063 0.00348 138 3S 0.00497 0.01845 -0.00671 0.00010 -0.00710 139 3PX -0.00278 0.00935 0.00314 0.00097 0.01198 140 3PY -0.00307 -0.00303 -0.00502 -0.00206 -0.01150 141 3PZ -0.00074 -0.01127 0.00056 -0.00211 0.00133 142 4XX -0.00021 0.00100 -0.00036 -0.00037 -0.00051 143 4YY -0.00002 -0.00009 0.00008 0.00040 0.00032 144 4ZZ 0.00015 -0.00156 0.00019 0.00076 0.00043 145 4XY 0.00018 -0.00106 0.00040 0.00043 0.00028 146 4XZ -0.00015 -0.00114 -0.00003 0.00039 -0.00063 147 4YZ -0.00018 0.00046 -0.00015 -0.00019 0.00010 148 16 C 1S 0.00374 0.00680 0.00016 -0.00105 -0.00550 149 2S -0.00715 -0.02260 -0.00132 0.00429 0.00077 150 2PX 0.01329 -0.00003 0.00717 0.00634 0.01955 151 2PY 0.00151 0.01915 -0.00124 -0.00367 0.02221 152 2PZ 0.00081 0.02886 -0.00457 -0.00971 -0.02713 153 3S -0.01189 -0.00047 -0.00380 -0.01267 -0.00610 154 3PX 0.01170 -0.00410 0.00957 0.00329 0.02018 155 3PY 0.00819 0.02695 -0.00356 0.00013 0.00769 156 3PZ -0.00203 0.00709 0.00692 0.00333 -0.00773 157 4XX 0.00106 0.00744 0.00003 -0.00283 0.00093 158 4YY -0.00024 -0.00287 0.00021 0.00044 0.00029 159 4ZZ 0.00007 -0.00374 -0.00031 0.00169 -0.00215 160 4XY 0.00036 0.00420 -0.00016 -0.00228 0.00274 161 4XZ -0.00111 -0.00264 -0.00013 0.00074 -0.00218 162 4YZ -0.00084 -0.00590 0.00065 0.00193 -0.00033 163 17 C 1S 0.00169 -0.00916 0.00198 0.00251 0.01604 164 2S -0.01447 0.01117 0.00056 -0.00241 -0.01271 165 2PX -0.00986 -0.13335 0.01644 0.05599 0.00216 166 2PY -0.00195 0.02342 -0.01291 -0.00923 -0.01355 167 2PZ 0.00960 0.08119 -0.00657 -0.05385 0.02919 168 3S 0.00290 0.02577 -0.02237 -0.00310 0.00034 169 3PX 0.00446 -0.08701 0.01612 0.05246 0.01467 170 3PY -0.01056 0.00038 0.02026 -0.00048 -0.00923 171 3PZ 0.01154 0.06896 -0.00347 -0.02778 0.01972 172 4XX 0.00265 0.00059 -0.00179 -0.00455 0.00317 173 4YY -0.00115 -0.00207 0.00193 0.00099 -0.00084 174 4ZZ -0.00051 0.00287 -0.00084 0.00125 -0.00171 175 4XY -0.00190 -0.00344 -0.00098 0.00231 -0.00171 176 4XZ -0.00283 -0.00522 0.00136 0.00247 -0.00429 177 4YZ 0.00157 0.00188 0.00051 -0.00178 0.00276 178 18 H 1S 0.00459 0.01333 -0.00343 -0.00860 0.00371 179 2S 0.00251 0.01544 -0.00349 -0.01172 0.00107 180 19 H 1S 0.00027 0.00156 -0.00031 -0.00099 -0.00218 181 2S 0.00144 0.00496 -0.00267 -0.00351 -0.00109 182 20 H 1S -0.00040 -0.00336 0.00039 0.00151 0.00251 183 2S -0.00012 -0.00798 0.00179 0.00154 0.00358 184 21 H 1S -0.01127 -0.00478 -0.00225 0.01741 -0.02926 185 2S -0.00586 -0.00488 -0.00107 0.02202 -0.02354 186 22 O 1S 0.00013 0.00136 0.00116 -0.00019 0.00330 187 2S -0.00046 0.00093 -0.00384 -0.00023 -0.00025 188 2PX 0.01575 0.05924 0.00594 -0.02457 0.03811 189 2PY -0.00162 -0.01343 -0.00120 0.00545 -0.03806 190 2PZ -0.01020 -0.05467 0.00483 0.01910 -0.01560 191 3S -0.00425 -0.02489 0.00045 0.00378 -0.01609 192 3PX 0.00846 0.04591 0.00204 -0.01824 0.02431 193 3PY -0.00043 -0.00294 -0.00080 0.00220 -0.01948 194 3PZ -0.00740 -0.04436 0.00323 0.01408 -0.01007 195 4XX 0.00031 0.00178 0.00015 -0.00043 0.00007 196 4YY 0.00023 0.00147 -0.00053 -0.00012 0.00290 197 4ZZ 0.00009 0.00060 -0.00048 0.00011 -0.00029 198 4XY -0.00091 -0.00279 -0.00045 0.00088 -0.00179 199 4XZ 0.00004 0.00028 -0.00006 -0.00012 0.00016 200 4YZ 0.00049 0.00144 0.00009 -0.00039 0.00134 201 23 O 1S 0.00014 0.00043 -0.00067 -0.00020 0.00201 202 2S -0.00059 -0.00120 0.00200 0.00108 -0.00485 203 2PX -0.00981 -0.01952 0.00518 0.01282 0.01024 204 2PY -0.00433 -0.01041 0.00526 0.00550 0.00085 205 2PZ 0.01017 0.03098 -0.01113 -0.01971 0.02948 206 3S 0.00111 -0.00179 0.00264 -0.00157 -0.00844 207 3PX -0.00755 -0.01464 0.00486 0.01096 0.00480 208 3PY -0.00314 -0.00729 0.00445 0.00285 -0.00127 209 3PZ 0.00850 0.02575 -0.00948 -0.01546 0.02279 210 4XX -0.00004 -0.00006 -0.00009 0.00025 0.00005 211 4YY -0.00042 -0.00023 0.00042 0.00010 0.00004 212 4ZZ 0.00008 0.00042 -0.00008 0.00001 0.00058 213 4XY -0.00041 -0.00078 0.00026 0.00046 0.00082 214 4XZ -0.00009 0.00003 0.00006 -0.00002 -0.00011 215 4YZ 0.00018 0.00053 -0.00014 -0.00032 0.00087 26 27 28 29 30 26 3PX 0.12146 27 3PY -0.00857 0.05357 28 3PZ -0.04354 -0.00229 0.09377 29 4XX 0.00305 -0.00109 -0.00264 0.00124 30 4YY -0.00241 0.00373 -0.00336 -0.00036 0.00176 31 4ZZ -0.00081 -0.00123 0.00524 0.00024 -0.00089 32 4XY -0.00275 -0.00209 -0.00053 0.00019 -0.00023 33 4XZ 0.00243 -0.00207 -0.00148 -0.00012 0.00001 34 4YZ -0.00011 -0.00199 -0.00318 0.00035 -0.00020 35 5 H 1S -0.02073 0.07891 -0.02011 -0.00726 0.01364 36 2S -0.02534 0.05812 -0.00186 -0.00432 0.01181 37 6 C 1S -0.00161 0.00839 -0.01382 0.00229 0.00284 38 2S 0.00178 -0.02300 0.04139 -0.00498 -0.00623 39 2PX 0.11279 -0.02605 -0.08791 0.00572 0.00308 40 2PY 0.00963 0.02047 0.05888 -0.00165 -0.00950 41 2PZ -0.05878 0.04443 -0.08066 0.00689 0.00628 42 3S 0.02341 -0.01648 -0.01122 0.00034 -0.00996 43 3PX 0.07441 -0.02245 -0.04676 0.00238 0.00190 44 3PY -0.00453 0.01159 0.04185 -0.00158 -0.00245 45 3PZ -0.04114 0.01116 0.00104 0.00017 0.00255 46 4XX -0.00290 0.00116 0.00013 0.00020 0.00019 47 4YY -0.00114 0.00307 -0.00283 0.00009 0.00075 48 4ZZ 0.00351 -0.00213 -0.00085 -0.00019 -0.00037 49 4XY 0.00266 0.00105 -0.00319 0.00017 -0.00020 50 4XZ -0.00582 -0.00033 0.00281 -0.00036 -0.00007 51 4YZ -0.00102 -0.00178 -0.00345 0.00033 -0.00002 52 7 H 1S -0.00233 0.00890 -0.02464 0.00193 -0.00239 53 2S -0.00206 0.00891 -0.04026 0.00267 -0.00061 54 8 C 1S 0.00605 -0.01036 -0.00040 0.00056 -0.00298 55 2S -0.00919 0.01533 0.00559 -0.00212 0.00643 56 2PX -0.08747 -0.01744 0.04918 0.00047 -0.00208 57 2PY 0.00767 0.01073 0.02652 -0.00422 0.01251 58 2PZ 0.03728 0.03047 -0.05366 0.00314 -0.00425 59 3S -0.01716 0.01193 -0.02179 -0.00082 0.00839 60 3PX -0.06755 -0.01291 0.04347 -0.00037 -0.00066 61 3PY 0.01290 -0.00363 -0.00751 -0.00057 0.00491 62 3PZ 0.04347 0.00753 -0.04810 0.00235 -0.00254 63 4XX -0.00037 0.00057 0.00235 0.00036 -0.00017 64 4YY -0.00066 -0.00491 -0.00254 -0.00017 -0.00011 65 4ZZ 0.00100 0.00303 0.00017 0.00001 -0.00018 66 4XY 0.00033 -0.00109 -0.00106 0.00004 -0.00031 67 4XZ 0.00021 -0.00065 0.00129 -0.00010 0.00031 68 4YZ -0.00050 0.00024 -0.00196 0.00011 -0.00011 69 9 H 1S -0.00516 -0.01184 -0.01866 0.00094 -0.00372 70 2S 0.00971 -0.02247 -0.03102 0.00137 -0.00413 71 10 C 1S -0.00083 -0.00361 0.00513 0.00022 -0.00140 72 2S 0.00475 0.01273 -0.01854 -0.00014 0.00345 73 2PX -0.01899 -0.04420 0.03181 0.00032 0.00211 74 2PY -0.01453 -0.02443 -0.02742 -0.00131 0.00673 75 2PZ -0.00311 -0.00988 0.01265 0.00033 -0.00310 76 3S -0.02437 0.03481 0.03726 -0.00175 0.00375 77 3PX -0.01862 -0.02620 0.01551 0.00004 0.00266 78 3PY -0.01732 -0.00097 0.00778 -0.00141 0.00410 79 3PZ 0.01581 -0.00075 -0.02867 0.00132 -0.00011 80 4XX 0.00101 0.00046 -0.00080 0.00011 -0.00010 81 4YY 0.00016 -0.00253 0.00062 -0.00013 -0.00042 82 4ZZ -0.00088 0.00029 0.00226 -0.00011 0.00020 83 4XY 0.00570 -0.00061 -0.00472 0.00022 0.00009 84 4XZ 0.00226 0.00098 -0.00113 -0.00011 0.00014 85 4YZ -0.00256 0.00283 -0.00380 0.00029 0.00009 86 11 H 1S 0.00252 -0.00315 0.02618 -0.00034 -0.00194 87 2S -0.00336 -0.00885 0.04212 -0.00162 -0.00216 88 12 C 1S 0.00006 0.00157 -0.00375 -0.00036 0.00003 89 2S -0.00172 0.00049 0.00542 0.00059 -0.00038 90 2PX 0.02747 -0.00401 -0.03184 -0.00377 0.00211 91 2PY -0.01897 -0.01355 0.02254 -0.00123 0.00048 92 2PZ -0.01915 -0.00616 0.01717 0.00194 -0.00116 93 3S 0.00388 0.00446 0.00931 0.00161 0.00088 94 3PX 0.02708 -0.00508 -0.03301 -0.00213 0.00167 95 3PY -0.00571 -0.00402 0.01610 -0.00141 0.00167 96 3PZ -0.01733 -0.00058 0.01288 0.00215 -0.00096 97 4XX -0.00082 -0.00052 0.00056 -0.00022 0.00017 98 4YY -0.00015 -0.00026 0.00008 0.00005 -0.00010 99 4ZZ -0.00017 0.00060 -0.00013 0.00004 -0.00002 100 4XY -0.00443 0.00012 0.00295 -0.00019 0.00015 101 4XZ 0.00206 0.00097 -0.00182 0.00007 -0.00011 102 4YZ 0.00318 0.00017 -0.00146 0.00023 -0.00007 103 13 C 1S -0.00215 -0.00072 0.00456 0.00027 0.00009 104 2S 0.00935 0.00218 -0.01137 -0.00013 -0.00015 105 2PX 0.00055 -0.00965 0.00859 -0.00020 0.00001 106 2PY 0.01215 0.00504 -0.01035 0.00003 0.00003 107 2PZ -0.01861 0.00568 0.01408 0.00039 -0.00023 108 3S -0.00117 -0.00063 0.00181 -0.00114 -0.00033 109 3PX 0.00307 -0.00528 -0.00206 0.00020 -0.00008 110 3PY 0.00134 0.00141 -0.00195 -0.00074 -0.00013 111 3PZ -0.00776 0.00334 0.00036 0.00030 -0.00032 112 4XX -0.00048 -0.00030 0.00116 0.00017 -0.00013 113 4YY 0.00027 -0.00040 0.00023 -0.00009 0.00004 114 4ZZ 0.00046 0.00056 -0.00081 -0.00005 0.00007 115 4XY 0.00179 0.00123 -0.00147 -0.00004 0.00004 116 4XZ 0.00149 0.00052 -0.00111 0.00001 -0.00002 117 4YZ -0.00331 0.00080 0.00224 0.00016 -0.00006 118 14 C 1S 0.00059 -0.00098 -0.00143 -0.00002 0.00009 119 2S -0.00090 0.00398 0.00242 0.00007 -0.00025 120 2PX 0.02935 -0.01024 -0.00617 0.00041 -0.00072 121 2PY 0.00286 -0.00152 0.00024 -0.00024 -0.00014 122 2PZ -0.02290 0.00089 0.00399 -0.00064 0.00080 123 3S -0.01119 0.01059 0.00460 0.00098 0.00011 124 3PX 0.01763 -0.00531 -0.00331 0.00022 -0.00076 125 3PY -0.00315 0.00234 -0.00331 0.00021 -0.00007 126 3PZ -0.01769 0.00073 0.00349 -0.00070 0.00049 127 4XX -0.00018 0.00012 0.00005 0.00004 -0.00001 128 4YY -0.00017 0.00002 0.00007 -0.00001 -0.00002 129 4ZZ 0.00063 -0.00014 -0.00047 -0.00004 0.00001 130 4XY 0.00055 0.00002 0.00012 0.00000 -0.00002 131 4XZ 0.00021 0.00026 -0.00033 0.00000 0.00000 132 4YZ -0.00083 0.00015 0.00031 0.00002 -0.00001 133 15 C 1S -0.00132 0.00159 0.00020 0.00017 0.00008 134 2S -0.00075 -0.00015 0.00052 -0.00021 0.00000 135 2PX 0.01832 -0.00703 0.00238 -0.00004 -0.00058 136 2PY -0.00051 -0.00054 -0.00338 0.00005 0.00028 137 2PZ -0.01686 0.00325 0.00700 0.00009 0.00008 138 3S 0.01881 -0.01219 -0.00542 -0.00051 -0.00021 139 3PX 0.01218 -0.00234 0.00213 0.00012 -0.00046 140 3PY -0.00464 0.00267 -0.00349 0.00026 -0.00012 141 3PZ -0.01293 0.00220 0.00343 0.00000 0.00027 142 4XX 0.00066 0.00005 -0.00010 0.00012 -0.00007 143 4YY -0.00009 0.00021 0.00025 -0.00002 -0.00004 144 4ZZ -0.00110 -0.00021 0.00051 -0.00010 0.00005 145 4XY -0.00138 0.00020 0.00042 -0.00005 0.00005 146 4XZ -0.00073 0.00012 0.00045 0.00001 0.00000 147 4YZ 0.00094 -0.00003 0.00027 0.00003 -0.00005 148 16 C 1S 0.00452 0.00489 -0.00600 -0.00052 -0.00010 149 2S -0.01466 -0.00248 0.01127 0.00071 -0.00007 150 2PX -0.00836 -0.00683 -0.01183 -0.00315 0.00189 151 2PY 0.01686 -0.00706 -0.00023 -0.00045 -0.00051 152 2PZ 0.02211 0.01081 -0.01487 0.00160 -0.00088 153 3S 0.00242 -0.00130 -0.00287 0.00099 0.00012 154 3PX -0.00866 -0.00145 -0.00265 -0.00146 0.00107 155 3PY 0.01539 -0.00092 -0.00687 0.00043 -0.00055 156 3PZ 0.00638 0.00806 0.00152 0.00094 -0.00042 157 4XX 0.00439 0.00056 -0.00317 0.00028 -0.00016 158 4YY -0.00106 -0.00053 0.00151 -0.00015 0.00007 159 4ZZ -0.00301 0.00027 0.00070 -0.00016 0.00009 160 4XY 0.00073 0.00036 -0.00208 0.00022 -0.00009 161 4XZ -0.00174 0.00042 0.00074 0.00004 -0.00003 162 4YZ -0.00413 0.00134 0.00221 -0.00008 0.00009 163 17 C 1S 0.00306 -0.00329 0.00073 -0.00139 0.00047 164 2S -0.00220 -0.00226 0.00203 0.00239 -0.00220 165 2PX -0.08489 0.00051 0.05370 -0.00525 0.00421 166 2PY 0.01374 0.01259 -0.01903 0.00211 -0.00137 167 2PZ 0.05590 -0.00149 -0.02390 0.00522 -0.00200 168 3S -0.00312 0.00357 -0.00863 0.00415 -0.00484 169 3PX -0.05794 -0.00092 0.04239 -0.00465 0.00346 170 3PY 0.00281 0.00836 0.00178 0.00086 0.00045 171 3PZ 0.04286 0.00156 -0.02063 0.00347 -0.00211 172 4XX 0.00116 -0.00051 -0.00255 -0.00017 0.00022 173 4YY -0.00108 0.00019 0.00136 -0.00004 0.00008 174 4ZZ 0.00164 0.00039 -0.00066 0.00010 -0.00010 175 4XY -0.00278 -0.00063 0.00284 0.00013 -0.00012 176 4XZ -0.00375 0.00100 0.00201 0.00005 -0.00004 177 4YZ 0.00216 0.00047 -0.00074 -0.00003 0.00009 178 18 H 1S 0.01319 0.00920 -0.00896 0.00083 -0.00032 179 2S 0.01232 0.00905 -0.00992 0.00094 -0.00017 180 19 H 1S 0.00160 -0.00130 -0.00147 -0.00004 0.00008 181 2S 0.00557 -0.00275 -0.00525 -0.00014 0.00018 182 20 H 1S -0.00201 -0.00111 0.00409 -0.00003 -0.00005 183 2S -0.00650 0.00184 0.00496 0.00003 0.00013 184 21 H 1S -0.01040 0.00424 -0.00160 0.00009 -0.00125 185 2S -0.00799 0.00179 0.00096 -0.00067 -0.00061 186 22 O 1S -0.00187 0.00005 -0.00172 0.00012 0.00003 187 2S 0.00774 -0.00303 0.00381 -0.00036 -0.00040 188 2PX 0.00782 0.01148 -0.04097 0.00119 -0.00008 189 2PY -0.00519 0.01181 0.00075 0.00034 0.00000 190 2PZ -0.04017 0.02445 0.01837 0.00021 0.00047 191 3S -0.00653 0.00237 0.01046 -0.00077 -0.00005 192 3PX 0.00851 0.00818 -0.02890 0.00132 -0.00041 193 3PY 0.00063 0.00586 -0.00052 0.00021 0.00000 194 3PZ -0.03221 0.01636 0.01436 -0.00014 0.00052 195 4XX 0.00132 0.00005 -0.00043 0.00005 -0.00002 196 4YY 0.00044 -0.00108 -0.00023 0.00000 -0.00003 197 4ZZ 0.00009 0.00010 -0.00030 0.00002 -0.00002 198 4XY -0.00030 -0.00030 0.00211 0.00002 -0.00004 199 4XZ -0.00002 -0.00012 -0.00028 0.00000 0.00000 200 4YZ 0.00095 -0.00118 -0.00035 -0.00005 0.00001 201 23 O 1S 0.00043 -0.00120 -0.00053 -0.00002 -0.00006 202 2S -0.00188 0.00195 0.00157 0.00001 0.00015 203 2PX -0.01778 -0.01744 0.01891 0.00061 -0.00095 204 2PY -0.01264 -0.00931 0.00991 -0.00026 -0.00015 205 2PZ 0.03848 -0.00807 -0.02542 -0.00122 0.00017 206 3S -0.00013 0.00699 -0.00195 -0.00022 0.00016 207 3PX -0.01392 -0.01141 0.01386 0.00052 -0.00072 208 3PY -0.00802 -0.00424 0.00560 -0.00017 -0.00006 209 3PZ 0.03048 -0.00636 -0.01977 -0.00101 0.00018 210 4XX -0.00008 -0.00002 0.00015 0.00003 -0.00001 211 4YY -0.00051 -0.00064 0.00044 0.00000 0.00000 212 4ZZ 0.00034 -0.00018 -0.00003 0.00000 0.00002 213 4XY -0.00073 -0.00095 0.00107 0.00003 -0.00004 214 4XZ -0.00006 0.00000 0.00006 0.00002 0.00000 215 4YZ 0.00099 -0.00018 -0.00057 -0.00005 0.00001 31 32 33 34 35 31 4ZZ 0.00137 32 4XY 0.00005 0.00058 33 4XZ -0.00019 0.00000 0.00073 34 4YZ 0.00000 0.00043 0.00007 0.00098 35 5 H 1S -0.00887 -0.00563 0.00009 -0.00598 0.21366 36 2S -0.00640 -0.00495 -0.00057 -0.00524 0.15465 37 6 C 1S -0.00568 0.00076 -0.00186 0.00341 0.01214 38 2S 0.01026 -0.00168 0.00349 -0.00685 -0.02456 39 2PX -0.00766 -0.00298 0.01150 0.00393 0.00527 40 2PY 0.00653 0.00225 0.00103 0.00835 -0.03113 41 2PZ -0.00121 0.00353 -0.00420 0.00922 0.03317 42 3S 0.01086 0.00024 0.00252 -0.00258 -0.06097 43 3PX -0.00520 -0.00202 0.00822 0.00115 0.00423 44 3PY 0.00328 -0.00033 -0.00038 0.00115 -0.00121 45 3PZ 0.00037 0.00087 -0.00232 0.00150 0.02121 46 4XX -0.00031 0.00017 -0.00022 0.00030 0.00072 47 4YY -0.00032 -0.00024 -0.00011 -0.00026 0.00617 48 4ZZ -0.00002 0.00020 0.00028 0.00047 -0.00299 49 4XY 0.00025 0.00018 -0.00027 0.00020 -0.00251 50 4XZ 0.00024 0.00030 0.00001 0.00011 -0.00064 51 4YZ 0.00014 0.00027 0.00021 0.00055 -0.00543 52 7 H 1S 0.00409 0.00201 0.00209 0.00622 -0.01576 53 2S 0.00077 0.00289 0.00131 0.00747 -0.01722 54 8 C 1S 0.00081 0.00010 0.00029 -0.00040 -0.00895 55 2S -0.00217 -0.00079 -0.00073 0.00079 0.02099 56 2PX 0.00169 -0.00199 0.00094 0.00045 -0.00331 57 2PY -0.00449 -0.00089 -0.00216 0.00072 0.02900 58 2PZ 0.00158 0.00053 0.00125 0.00037 -0.01434 59 3S -0.00502 -0.00171 0.00103 0.00163 0.04222 60 3PX 0.00100 -0.00033 0.00021 0.00050 -0.00517 61 3PY -0.00303 -0.00109 0.00065 0.00024 0.01184 62 3PZ 0.00017 0.00106 0.00129 0.00196 -0.01865 63 4XX 0.00001 -0.00004 -0.00010 -0.00011 0.00094 64 4YY -0.00018 0.00031 0.00031 0.00011 -0.00372 65 4ZZ 0.00039 -0.00013 -0.00021 -0.00003 0.00075 66 4XY 0.00013 -0.00024 0.00012 -0.00011 -0.00062 67 4XZ -0.00021 -0.00012 0.00048 -0.00002 0.00144 68 4YZ 0.00003 -0.00011 0.00002 -0.00050 0.00040 69 9 H 1S 0.00075 0.00062 0.00144 -0.00040 -0.01145 70 2S 0.00011 0.00083 0.00251 -0.00044 -0.02282 71 10 C 1S 0.00018 0.00085 0.00012 0.00215 -0.00879 72 2S -0.00031 -0.00199 0.00006 -0.00429 0.01970 73 2PX -0.00510 -0.00228 0.00919 0.00078 0.00915 74 2PY -0.00100 -0.00301 0.00049 -0.01003 0.03143 75 2PZ 0.00096 0.00234 -0.00337 0.00170 -0.00868 76 3S 0.00140 -0.00356 -0.00297 -0.00648 0.05355 77 3PX -0.00404 -0.00134 0.00640 0.00031 0.01133 78 3PY -0.00098 -0.00155 -0.00063 -0.00395 0.02845 79 3PZ -0.00103 0.00118 -0.00148 0.00164 -0.00295 80 4XX -0.00008 0.00013 -0.00004 0.00024 -0.00023 81 4YY 0.00036 -0.00002 0.00020 -0.00035 -0.00203 82 4ZZ -0.00020 0.00007 -0.00004 0.00043 -0.00023 83 4XY -0.00027 -0.00016 0.00047 0.00007 0.00050 84 4XZ -0.00010 0.00014 -0.00005 0.00008 -0.00020 85 4YZ 0.00009 0.00003 -0.00012 0.00017 0.00222 86 11 H 1S -0.00019 0.00096 -0.00023 0.00235 -0.01000 87 2S 0.00042 0.00124 -0.00041 0.00212 -0.01718 88 12 C 1S 0.00000 0.00057 0.00054 -0.00003 -0.00140 89 2S 0.00021 -0.00064 -0.00087 -0.00002 0.00204 90 2PX -0.00160 0.00144 0.00666 -0.00020 0.00386 91 2PY -0.00067 -0.00182 0.00086 0.00044 0.01008 92 2PZ 0.00190 -0.00107 -0.00511 0.00041 -0.00366 93 3S -0.00023 -0.00087 -0.00251 -0.00054 0.01535 94 3PX -0.00207 0.00091 0.00542 0.00029 0.00113 95 3PY -0.00056 -0.00113 0.00124 -0.00018 0.01345 96 3PZ 0.00135 -0.00057 -0.00391 0.00021 -0.00344 97 4XX 0.00000 0.00002 0.00006 0.00005 0.00023 98 4YY 0.00000 -0.00002 -0.00007 -0.00001 -0.00010 99 4ZZ 0.00000 0.00004 0.00005 -0.00007 -0.00011 100 4XY -0.00006 0.00003 0.00021 -0.00008 0.00121 101 4XZ 0.00007 0.00007 -0.00006 -0.00002 -0.00047 102 4YZ -0.00014 -0.00004 -0.00001 0.00004 -0.00035 103 13 C 1S -0.00012 -0.00029 0.00007 -0.00005 0.00092 104 2S 0.00039 0.00051 -0.00044 0.00007 -0.00307 105 2PX -0.00113 -0.00038 0.00105 0.00009 0.00209 106 2PY 0.00034 0.00028 -0.00009 -0.00003 -0.00300 107 2PZ 0.00024 -0.00035 -0.00131 -0.00017 0.00290 108 3S 0.00089 0.00037 0.00028 0.00004 -0.00231 109 3PX -0.00056 0.00005 0.00033 0.00022 -0.00173 110 3PY 0.00059 0.00012 -0.00040 -0.00002 0.00054 111 3PZ 0.00010 0.00020 -0.00054 -0.00003 0.00018 112 4XX 0.00008 -0.00005 -0.00028 -0.00001 -0.00052 113 4YY -0.00006 -0.00005 0.00012 0.00001 0.00028 114 4ZZ -0.00004 0.00005 0.00015 -0.00001 0.00000 115 4XY -0.00008 0.00003 0.00014 0.00001 -0.00009 116 4XZ 0.00002 0.00004 -0.00003 0.00000 -0.00024 117 4YZ 0.00009 -0.00005 -0.00029 -0.00001 0.00001 118 14 C 1S -0.00001 0.00003 0.00015 0.00000 0.00006 119 2S 0.00020 -0.00002 -0.00060 -0.00007 -0.00038 120 2PX -0.00060 -0.00037 0.00026 0.00013 -0.00408 121 2PY 0.00009 -0.00011 0.00003 0.00001 -0.00046 122 2PZ 0.00047 0.00035 0.00056 -0.00010 0.00428 123 3S -0.00024 -0.00024 -0.00055 0.00015 -0.00116 124 3PX -0.00008 -0.00016 -0.00026 0.00008 -0.00337 125 3PY -0.00003 0.00013 0.00000 0.00021 -0.00217 126 3PZ 0.00047 0.00025 0.00025 -0.00006 0.00291 127 4XX 0.00002 -0.00001 -0.00004 -0.00001 -0.00003 128 4YY 0.00003 0.00000 -0.00005 0.00000 -0.00001 129 4ZZ -0.00001 0.00002 0.00004 0.00000 -0.00002 130 4XY -0.00003 -0.00001 -0.00003 0.00000 -0.00002 131 4XZ 0.00003 0.00002 -0.00004 0.00000 -0.00010 132 4YZ -0.00001 0.00001 -0.00002 0.00000 0.00003 133 15 C 1S -0.00002 -0.00002 0.00002 0.00003 0.00015 134 2S 0.00060 0.00011 -0.00052 -0.00009 -0.00048 135 2PX -0.00085 -0.00055 -0.00005 -0.00004 -0.00037 136 2PY 0.00022 0.00016 -0.00002 -0.00003 0.00023 137 2PZ -0.00020 0.00040 0.00033 0.00005 0.00081 138 3S 0.00067 -0.00011 0.00037 -0.00016 -0.00314 139 3PX -0.00036 -0.00036 -0.00035 -0.00008 -0.00049 140 3PY 0.00050 0.00016 -0.00044 0.00026 -0.00400 141 3PZ -0.00008 0.00032 0.00029 0.00016 0.00161 142 4XX -0.00002 0.00000 -0.00002 0.00001 -0.00043 143 4YY 0.00003 -0.00001 -0.00007 -0.00001 -0.00005 144 4ZZ 0.00000 0.00001 0.00004 -0.00001 0.00030 145 4XY 0.00001 -0.00001 0.00001 -0.00001 0.00041 146 4XZ 0.00001 0.00003 -0.00004 -0.00001 -0.00004 147 4YZ -0.00004 -0.00001 -0.00001 0.00001 -0.00022 148 16 C 1S 0.00006 -0.00026 -0.00005 -0.00006 0.00070 149 2S -0.00030 0.00075 -0.00030 -0.00002 -0.00180 150 2PX 0.00090 -0.00088 0.00146 -0.00015 0.01144 151 2PY 0.00002 -0.00052 0.00017 -0.00001 -0.00064 152 2PZ 0.00055 -0.00020 -0.00114 0.00016 -0.00600 153 3S -0.00041 0.00064 0.00123 0.00085 -0.00509 154 3PX -0.00014 -0.00043 0.00032 -0.00029 0.01119 155 3PY -0.00036 -0.00030 0.00041 -0.00021 -0.00207 156 3PZ -0.00017 -0.00005 -0.00085 -0.00039 0.00121 157 4XX -0.00002 -0.00009 -0.00022 0.00002 -0.00034 158 4YY -0.00005 -0.00004 0.00010 0.00001 0.00047 159 4ZZ 0.00010 0.00009 0.00003 -0.00002 0.00009 160 4XY -0.00006 -0.00007 -0.00008 0.00006 -0.00031 161 4XZ 0.00006 0.00008 -0.00017 -0.00001 -0.00043 162 4YZ -0.00010 0.00007 0.00005 -0.00002 0.00049 163 17 C 1S -0.00064 -0.00006 0.00124 -0.00011 0.00447 164 2S 0.00033 -0.00036 -0.00319 0.00027 -0.00840 165 2PX -0.00123 0.00158 0.00557 -0.00119 0.01954 166 2PY 0.00080 0.00191 -0.00251 -0.00045 -0.01376 167 2PZ -0.00236 -0.00129 -0.00141 0.00130 -0.00580 168 3S 0.00036 0.00042 -0.00460 0.00041 -0.02219 169 3PX -0.00099 0.00047 0.00411 -0.00150 0.01992 170 3PY -0.00005 0.00023 -0.00217 -0.00073 0.00741 171 3PZ -0.00087 -0.00095 -0.00177 0.00035 -0.00517 172 4XX -0.00016 0.00005 0.00024 0.00015 0.00065 173 4YY 0.00002 -0.00006 -0.00003 -0.00004 0.00092 174 4ZZ 0.00011 0.00004 -0.00003 -0.00008 -0.00122 175 4XY 0.00011 0.00002 -0.00024 0.00004 -0.00140 176 4XZ 0.00018 0.00010 -0.00027 -0.00005 -0.00023 177 4YZ -0.00021 -0.00001 0.00031 -0.00001 0.00106 178 18 H 1S -0.00050 0.00048 0.00061 -0.00030 -0.00155 179 2S -0.00061 0.00034 0.00094 -0.00022 -0.00185 180 19 H 1S 0.00008 0.00004 0.00015 -0.00001 0.00008 181 2S 0.00007 0.00013 0.00042 0.00003 -0.00067 182 20 H 1S -0.00019 0.00007 -0.00003 -0.00005 0.00036 183 2S -0.00048 0.00008 0.00012 -0.00004 0.00171 184 21 H 1S 0.00217 0.00073 -0.00271 -0.00057 -0.00922 185 2S 0.00208 0.00044 -0.00138 -0.00078 -0.00585 186 22 O 1S -0.00011 0.00009 0.00001 0.00004 0.00088 187 2S -0.00010 -0.00030 0.00018 -0.00007 -0.00275 188 2PX 0.00010 -0.00107 -0.00080 0.00044 0.00387 189 2PY 0.00018 0.00035 -0.00058 -0.00016 -0.00241 190 2PZ -0.00073 0.00078 -0.00055 -0.00022 0.00152 191 3S 0.00046 -0.00015 -0.00090 -0.00020 0.00000 192 3PX 0.00008 -0.00069 -0.00072 0.00036 -0.00023 193 3PY -0.00008 0.00015 0.00000 -0.00008 -0.00145 194 3PZ -0.00052 0.00061 -0.00021 -0.00011 0.00167 195 4XX -0.00006 -0.00002 0.00004 0.00000 0.00006 196 4YY -0.00001 -0.00001 0.00008 0.00002 -0.00026 197 4ZZ -0.00002 0.00001 0.00006 0.00002 -0.00034 198 4XY -0.00003 0.00008 -0.00001 -0.00002 -0.00039 199 4XZ 0.00002 0.00000 -0.00002 0.00000 -0.00004 200 4YZ 0.00001 -0.00003 0.00005 0.00000 0.00021 201 23 O 1S 0.00000 0.00007 0.00000 0.00002 -0.00040 202 2S -0.00009 -0.00016 0.00014 0.00000 0.00113 203 2PX 0.00085 -0.00004 -0.00175 -0.00022 -0.00138 204 2PY -0.00008 -0.00011 -0.00025 0.00008 0.00222 205 2PZ -0.00093 0.00042 0.00241 0.00003 -0.00144 206 3S 0.00037 -0.00013 -0.00055 -0.00010 0.00208 207 3PX 0.00076 -0.00003 -0.00142 -0.00019 -0.00090 208 3PY 0.00010 -0.00008 -0.00047 0.00001 0.00192 209 3PZ -0.00069 0.00031 0.00194 0.00005 -0.00144 210 4XX -0.00002 -0.00001 0.00003 0.00000 -0.00011 211 4YY -0.00002 0.00000 0.00000 0.00001 0.00014 212 4ZZ -0.00004 -0.00001 0.00007 0.00000 0.00000 213 4XY 0.00001 -0.00002 -0.00004 -0.00001 0.00001 214 4XZ 0.00001 0.00000 -0.00003 -0.00001 -0.00001 215 4YZ -0.00003 0.00001 0.00006 0.00000 0.00005 36 37 38 39 40 36 2S 0.13514 37 6 C 1S 0.01192 2.05355 38 2S -0.02095 -0.06412 0.33134 39 2PX 0.01095 0.00138 -0.00481 0.34548 40 2PY -0.05959 -0.00025 -0.00328 -0.00296 0.41951 41 2PZ 0.04480 -0.00206 -0.00494 0.03443 0.00854 42 3S -0.06040 -0.16685 0.25602 0.01045 0.00882 43 3PX 0.00525 -0.00105 0.00294 0.21783 -0.00997 44 3PY -0.00471 -0.00347 0.01854 -0.01865 0.13632 45 3PZ 0.02508 -0.00653 0.02691 -0.02978 0.00161 46 4XX 0.00094 -0.01193 -0.01399 -0.00287 0.00190 47 4YY 0.00691 -0.01738 -0.00239 0.00198 -0.01285 48 4ZZ -0.00534 -0.01815 -0.00114 0.00398 0.01517 49 4XY -0.00298 -0.00124 0.00219 -0.00355 0.00285 50 4XZ -0.00102 -0.00282 0.00610 -0.00579 0.00644 51 4YZ -0.00283 -0.00254 0.00474 0.00780 0.00405 52 7 H 1S -0.01678 -0.06265 0.11706 0.07922 0.15423 53 2S -0.01946 -0.01329 0.02371 0.07017 0.12879 54 8 C 1S -0.01124 -0.00485 0.01143 -0.00592 -0.01039 55 2S 0.02906 0.01201 -0.02722 0.00883 0.03224 56 2PX 0.01434 -0.00082 0.00380 -0.00497 0.01246 57 2PY 0.05706 0.01446 -0.03231 0.00544 0.02039 58 2PZ -0.03236 0.00750 -0.02773 0.00855 0.03873 59 3S 0.05015 0.01210 -0.03597 0.07492 0.00513 60 3PX 0.00969 -0.00083 0.00475 -0.01899 0.01452 61 3PY 0.02247 0.00361 -0.01273 0.04419 -0.02442 62 3PZ -0.03101 0.00513 -0.01854 0.03181 0.02744 63 4XX 0.00137 0.00022 -0.00014 0.00032 0.00131 64 4YY -0.00413 -0.00140 0.00345 0.00211 -0.00673 65 4ZZ 0.00011 0.00018 -0.00031 -0.00510 0.00100 66 4XY -0.00083 -0.00085 0.00199 0.00228 -0.00301 67 4XZ 0.00250 0.00012 0.00006 0.00919 -0.00049 68 4YZ 0.00044 -0.00215 0.00429 -0.00078 -0.01003 69 9 H 1S -0.02282 -0.00879 0.01970 0.00916 -0.03143 70 2S -0.03281 -0.01198 0.02544 0.02890 -0.06050 71 10 C 1S -0.01198 0.01683 -0.03327 0.00200 0.07814 72 2S 0.02544 -0.03327 0.05775 0.00377 -0.16104 73 2PX 0.02887 0.00201 0.00375 0.19923 -0.00854 74 2PY 0.06052 -0.07813 0.16104 0.00864 -0.31831 75 2PZ -0.02237 -0.00471 0.01446 -0.05865 -0.02248 76 3S 0.05854 -0.00219 0.03533 -0.06920 -0.12018 77 3PX 0.02587 0.00268 -0.00241 0.13630 -0.01425 78 3PY 0.04016 -0.01172 0.04010 -0.00861 -0.09530 79 3PZ -0.01147 0.00025 -0.00888 -0.00613 -0.03056 80 4XX -0.00099 0.00213 -0.00488 0.00027 0.00678 81 4YY -0.00197 -0.00701 0.01258 -0.00019 -0.00646 82 4ZZ -0.00006 0.00325 -0.00752 0.00097 0.01183 83 4XY 0.00037 -0.00002 0.00004 0.01357 -0.00084 84 4XZ -0.00097 0.00054 -0.00151 -0.00078 0.00181 85 4YZ 0.00211 -0.00025 0.00001 0.00001 0.00125 86 11 H 1S -0.01895 0.01278 -0.02602 -0.00335 0.04439 87 2S -0.02273 0.01417 -0.02435 -0.01938 0.07836 88 12 C 1S -0.00291 -0.00071 0.00122 0.00844 -0.00103 89 2S 0.00284 0.00013 0.00021 -0.01895 0.00062 90 2PX -0.00232 -0.00149 0.00521 0.08498 -0.00742 91 2PY 0.02353 0.00043 0.00150 0.00521 -0.00123 92 2PZ 0.00593 0.00056 -0.00145 -0.07280 0.00586 93 3S 0.02468 0.00627 -0.01339 -0.03553 0.00476 94 3PX -0.00447 0.00055 -0.00134 0.08380 -0.01023 95 3PY 0.02548 0.00176 -0.00238 0.01662 0.00150 96 3PZ 0.00374 0.00212 -0.00547 -0.05240 0.00332 97 4XX 0.00050 -0.00015 0.00036 0.00045 0.00025 98 4YY -0.00003 -0.00018 0.00026 -0.00095 -0.00052 99 4ZZ -0.00064 -0.00030 0.00032 0.00077 -0.00011 100 4XY 0.00159 -0.00011 0.00063 0.00000 -0.00016 101 4XZ -0.00138 -0.00015 0.00009 -0.00128 -0.00055 102 4YZ -0.00124 0.00013 -0.00075 0.00125 -0.00056 103 13 C 1S 0.00198 0.00026 0.00057 0.00155 -0.00040 104 2S -0.00613 0.00003 -0.00071 -0.00532 -0.00008 105 2PX 0.00549 0.00032 -0.00017 0.02100 -0.00287 106 2PY -0.00822 0.00025 0.00070 0.00101 0.00120 107 2PZ 0.00229 0.00027 -0.00099 -0.02516 0.00180 108 3S -0.00413 -0.00184 0.00456 -0.00101 0.01004 109 3PX -0.00246 0.00147 -0.00215 0.00841 -0.00148 110 3PY -0.00148 -0.00387 0.00562 -0.01535 -0.00192 111 3PZ -0.00295 0.00010 -0.00100 -0.01439 0.00094 112 4XX -0.00005 0.00006 0.00027 -0.00348 0.00021 113 4YY 0.00052 0.00011 0.00022 0.00131 -0.00029 114 4ZZ -0.00071 0.00020 -0.00028 0.00224 -0.00015 115 4XY -0.00059 -0.00002 0.00025 0.00275 -0.00023 116 4XZ -0.00067 -0.00008 0.00009 -0.00052 -0.00008 117 4YZ 0.00007 0.00009 -0.00045 -0.00383 0.00029 118 14 C 1S 0.00091 -0.00018 0.00045 0.00191 -0.00029 119 2S -0.00303 0.00048 -0.00070 -0.01007 0.00138 120 2PX 0.00468 -0.00155 0.00810 0.01234 -0.00181 121 2PY -0.00238 0.00020 0.00038 -0.00054 0.00174 122 2PZ 0.00094 0.00079 -0.00594 -0.00386 0.00045 123 3S -0.00793 0.00058 -0.00392 0.00214 -0.00203 124 3PX 0.00215 -0.00166 0.00674 -0.00133 0.00011 125 3PY -0.00715 0.00047 -0.00165 0.00126 0.00016 126 3PZ -0.00104 0.00050 -0.00322 -0.00643 0.00154 127 4XX 0.00002 -0.00004 0.00005 -0.00041 -0.00012 128 4YY 0.00003 -0.00001 -0.00004 -0.00108 0.00002 129 4ZZ -0.00001 -0.00002 0.00007 0.00052 -0.00003 130 4XY -0.00015 0.00003 0.00028 -0.00043 0.00011 131 4XZ -0.00020 0.00001 -0.00010 -0.00082 0.00000 132 4YZ -0.00045 0.00002 -0.00033 -0.00030 -0.00010 133 15 C 1S -0.00250 -0.00067 0.00024 0.00072 0.00011 134 2S 0.00459 0.00082 -0.00194 -0.01020 0.00014 135 2PX -0.00039 -0.00128 0.00917 0.00236 -0.00074 136 2PY 0.00598 0.00017 -0.00086 0.00183 -0.00249 137 2PZ -0.00843 0.00110 -0.00684 -0.00118 -0.00009 138 3S 0.01501 0.00016 0.00323 0.01653 0.00015 139 3PX -0.00086 -0.00129 0.00500 -0.00605 -0.00068 140 3PY -0.00447 -0.00082 -0.00108 -0.00330 -0.00212 141 3PZ -0.00468 0.00068 -0.00537 -0.00142 0.00068 142 4XX -0.00032 -0.00044 0.00008 0.00030 -0.00012 143 4YY -0.00042 -0.00015 -0.00001 -0.00133 0.00000 144 4ZZ 0.00029 -0.00030 0.00025 -0.00070 0.00012 145 4XY -0.00014 0.00005 -0.00024 -0.00029 -0.00004 146 4XZ 0.00015 0.00018 -0.00037 -0.00153 -0.00020 147 4YZ 0.00013 -0.00012 0.00024 0.00019 0.00009 148 16 C 1S -0.00093 -0.00144 0.00057 0.00505 0.00048 149 2S -0.00125 0.00186 -0.00311 -0.02016 -0.00201 150 2PX 0.00499 -0.00260 0.00898 0.01802 0.00263 151 2PY -0.00274 -0.00070 0.00406 0.01264 -0.00033 152 2PZ -0.00140 0.00091 -0.00564 0.00397 -0.00264 153 3S -0.00410 0.00559 -0.00772 0.01535 0.00409 154 3PX 0.00233 -0.00230 0.00404 0.00008 0.00317 155 3PY -0.00431 -0.00034 0.00210 0.02408 0.00573 156 3PZ 0.00095 0.00157 -0.00273 -0.00829 -0.00007 157 4XX -0.00178 -0.00044 -0.00012 0.00075 0.00001 158 4YY 0.00151 -0.00040 0.00015 0.00002 -0.00029 159 4ZZ 0.00061 -0.00054 0.00037 -0.00041 0.00041 160 4XY -0.00357 0.00001 -0.00058 0.00048 0.00001 161 4XZ 0.00000 0.00042 -0.00053 -0.00305 -0.00042 162 4YZ -0.00035 0.00018 0.00009 -0.00152 -0.00023 163 17 C 1S 0.00623 -0.00122 0.00146 0.00780 0.00006 164 2S -0.00771 0.00134 -0.00338 -0.02011 -0.00165 165 2PX 0.02868 -0.00192 0.01045 0.00173 0.00022 166 2PY -0.02587 0.00052 -0.00311 -0.01089 0.00068 167 2PZ -0.02111 0.00489 -0.01754 -0.00488 -0.00609 168 3S -0.04321 0.00100 -0.00101 -0.04084 0.00491 169 3PX 0.02643 -0.00364 0.01386 0.01005 0.00167 170 3PY 0.00699 0.00106 -0.00559 -0.02333 -0.00177 171 3PZ -0.01906 0.00375 -0.00823 -0.00626 -0.00162 172 4XX -0.00036 0.00003 -0.00080 0.00315 -0.00050 173 4YY 0.00160 -0.00028 0.00016 -0.00166 -0.00034 174 4ZZ -0.00100 -0.00079 0.00083 0.00163 0.00014 175 4XY -0.00069 0.00004 0.00008 -0.00547 0.00064 176 4XZ 0.00050 0.00001 0.00006 -0.00564 -0.00027 177 4YZ 0.00024 0.00017 -0.00045 0.00350 -0.00022 178 18 H 1S -0.01075 0.00031 -0.00206 0.01106 -0.00195 179 2S -0.01070 0.00043 -0.00323 0.01876 -0.00561 180 19 H 1S 0.00246 -0.00013 0.00019 0.00113 -0.00070 181 2S 0.00261 -0.00008 -0.00015 0.00639 -0.00131 182 20 H 1S 0.00055 0.00051 -0.00056 -0.00318 -0.00123 183 2S -0.00139 0.00044 -0.00029 -0.00247 -0.00073 184 21 H 1S -0.00544 -0.00194 0.00573 -0.01499 0.00310 185 2S 0.00116 -0.00245 0.00864 -0.00700 0.00131 186 22 O 1S -0.00261 0.00008 -0.00042 0.00089 0.00047 187 2S 0.00490 0.00050 0.00099 0.00313 -0.00003 188 2PX -0.04711 -0.00105 -0.00279 0.00946 0.00491 189 2PY 0.00930 -0.00007 -0.00267 -0.00753 0.00040 190 2PZ -0.01198 0.00186 -0.00134 -0.02235 -0.00510 191 3S 0.01212 -0.00225 0.00115 -0.02865 -0.00722 192 3PX -0.03571 0.00032 -0.00332 0.00678 0.00321 193 3PY 0.00562 0.00071 -0.00163 0.00481 0.00228 194 3PZ -0.00768 0.00063 -0.00009 -0.01590 -0.00357 195 4XX 0.00025 0.00032 -0.00025 0.00192 0.00033 196 4YY -0.00122 0.00034 0.00017 0.00124 0.00025 197 4ZZ -0.00049 0.00028 -0.00015 0.00161 0.00049 198 4XY 0.00175 0.00001 -0.00005 -0.00120 -0.00026 199 4XZ -0.00022 0.00004 -0.00004 -0.00021 -0.00011 200 4YZ 0.00057 -0.00003 0.00019 0.00078 0.00037 201 23 O 1S -0.00039 0.00009 0.00004 0.00058 0.00026 202 2S 0.00158 0.00046 -0.00094 0.00178 0.00031 203 2PX 0.00356 0.00046 -0.00234 -0.03083 0.00429 204 2PY 0.00788 -0.00019 -0.00120 -0.00654 -0.00088 205 2PZ -0.00425 -0.00115 0.00362 0.03454 -0.00466 206 3S -0.00011 -0.00315 0.00322 -0.01706 -0.00511 207 3PX 0.00257 0.00024 -0.00182 -0.02462 0.00382 208 3PY 0.00485 -0.00087 -0.00006 -0.01075 -0.00209 209 3PZ -0.00338 -0.00100 0.00316 0.02875 -0.00376 210 4XX -0.00004 0.00024 -0.00010 0.00093 0.00037 211 4YY 0.00054 0.00017 -0.00035 0.00044 0.00018 212 4ZZ -0.00001 0.00029 -0.00025 0.00164 0.00042 213 4XY 0.00031 0.00002 -0.00009 -0.00056 0.00013 214 4XZ -0.00001 -0.00001 -0.00002 -0.00032 -0.00008 215 4YZ -0.00002 -0.00007 0.00019 0.00062 -0.00018 41 42 43 44 45 41 2PZ 0.40636 42 3S 0.05250 0.27300 43 3PX -0.02352 0.00206 0.14496 44 3PY -0.00934 0.00010 -0.01391 0.05523 45 3PZ 0.11701 0.01517 -0.03052 0.00520 0.05196 46 4XX 0.00174 -0.01044 -0.00211 0.00000 0.00009 47 4YY 0.00773 -0.00158 0.00034 -0.00349 0.00162 48 4ZZ -0.00414 0.00070 0.00282 0.00373 -0.00181 49 4XY 0.00718 0.00612 -0.00320 -0.00001 0.00113 50 4XZ 0.00380 0.00391 -0.00372 0.00239 0.00265 51 4YZ 0.01410 0.00749 0.00313 0.00042 0.00267 52 7 H 1S 0.20140 0.13192 0.02728 0.04524 0.05716 53 2S 0.17562 0.05961 0.02333 0.02891 0.03770 54 8 C 1S -0.00934 0.00619 -0.00047 -0.00307 0.00261 55 2S 0.02209 -0.03282 0.00086 0.01513 0.00313 56 2PX -0.00810 -0.02316 -0.01544 0.01911 0.01223 57 2PY 0.02272 -0.11012 -0.00146 0.03796 0.01494 58 2PZ -0.00027 0.05768 -0.00567 -0.00598 -0.05755 59 3S 0.07339 -0.03219 0.03706 0.00014 0.01447 60 3PX -0.00311 -0.02436 -0.01862 0.01731 0.01581 61 3PY 0.00987 -0.03482 0.02619 -0.00096 0.00076 62 3PZ 0.01266 0.03726 0.01550 -0.00777 -0.02867 63 4XX 0.00033 -0.00175 0.00004 0.00141 0.00132 64 4YY -0.00311 0.00375 0.00266 -0.00410 -0.00012 65 4ZZ 0.00096 0.00140 -0.00405 0.00098 -0.00103 66 4XY -0.00234 0.00356 0.00134 -0.00155 -0.00118 67 4XZ -0.00337 -0.00297 0.00640 0.00063 -0.00148 68 4YZ -0.00171 0.00647 -0.00031 -0.00395 -0.00164 69 9 H 1S -0.00869 0.05355 0.01134 -0.02845 -0.00295 70 2S -0.02239 0.05855 0.02588 -0.04015 -0.01148 71 10 C 1S -0.00470 -0.00219 0.00268 0.01172 0.00025 72 2S 0.01444 0.03533 -0.00241 -0.04010 -0.00888 73 2PX -0.05866 -0.06923 0.13630 0.00866 -0.00613 74 2PY 0.02244 0.12015 0.01430 -0.09528 0.03055 75 2PZ 0.03973 -0.01792 -0.03183 -0.00470 0.04608 76 3S -0.01793 -0.01987 -0.04536 -0.00932 0.00374 77 3PX -0.03184 -0.04537 0.09274 0.00142 -0.00686 78 3PY 0.00468 0.00931 -0.00139 -0.02148 0.01711 79 3PZ 0.04608 0.00374 -0.00686 -0.01711 0.01440 80 4XX 0.00114 -0.00238 0.00029 0.00123 0.00013 81 4YY -0.00270 0.01062 0.00079 -0.00208 0.00074 82 4ZZ -0.00011 -0.00906 0.00010 0.00446 -0.00004 83 4XY 0.00038 0.00251 0.00868 -0.00153 -0.00218 84 4XZ 0.00038 -0.00129 -0.00024 0.00032 -0.00081 85 4YZ 0.01309 0.00596 -0.00179 -0.00087 0.00261 86 11 H 1S -0.01973 -0.06124 0.00043 0.02322 0.00248 87 2S -0.04380 -0.06427 -0.00525 0.03486 0.00209 88 12 C 1S -0.00465 0.00328 0.00535 -0.00049 -0.00545 89 2S 0.00689 -0.00103 -0.01141 0.00032 0.00756 90 2PX -0.03492 0.01299 0.06737 -0.01279 -0.03792 91 2PY 0.00061 -0.01905 0.00858 0.00154 0.00806 92 2PZ 0.02720 -0.01104 -0.06149 0.01819 0.02935 93 3S 0.03416 -0.02482 -0.02655 0.00833 0.02356 94 3PX -0.02323 0.00945 0.06244 -0.01440 -0.03100 95 3PY -0.00437 -0.02374 0.01400 0.00542 0.00324 96 3PZ 0.02724 -0.00868 -0.04430 0.01128 0.02217 97 4XX -0.00024 -0.00125 0.00021 0.00058 0.00041 98 4YY 0.00027 0.00059 -0.00056 -0.00037 0.00017 99 4ZZ -0.00104 0.00069 0.00057 -0.00016 -0.00066 100 4XY -0.00046 -0.00178 0.00059 0.00016 0.00075 101 4XZ 0.00032 0.00221 -0.00077 -0.00080 -0.00069 102 4YZ 0.00054 0.00037 0.00083 -0.00114 -0.00013 103 13 C 1S -0.00025 -0.01011 0.00148 0.00247 0.00419 104 2S 0.00135 0.01398 -0.00494 -0.00264 -0.00570 105 2PX -0.00300 -0.01175 0.01654 -0.00431 0.00105 106 2PY -0.00154 -0.00151 -0.00152 0.00285 -0.00150 107 2PZ 0.00753 -0.00530 -0.01675 0.00215 0.01205 108 3S -0.01318 0.00437 -0.00078 0.00562 -0.00559 109 3PX 0.00252 -0.00362 0.00589 -0.00265 0.00009 110 3PY 0.00206 0.01005 -0.00956 -0.00179 0.00040 111 3PZ 0.00670 0.00328 -0.01018 -0.00049 0.00388 112 4XX 0.00127 -0.00112 -0.00312 0.00103 0.00193 113 4YY -0.00070 -0.00002 0.00120 -0.00040 -0.00030 114 4ZZ -0.00118 0.00012 0.00213 -0.00051 -0.00122 115 4XY -0.00045 0.00111 0.00174 -0.00075 -0.00105 116 4XZ 0.00029 0.00096 -0.00039 -0.00030 -0.00018 117 4YZ 0.00113 -0.00040 -0.00278 0.00036 0.00103 118 14 C 1S -0.00069 -0.00052 0.00110 0.00142 -0.00139 119 2S 0.00232 -0.00039 -0.00697 -0.00125 0.00302 120 2PX 0.00342 -0.00413 0.00019 0.00360 0.00624 121 2PY -0.00091 -0.00409 -0.00168 0.00052 0.00125 122 2PZ -0.00551 0.00250 0.00630 -0.00178 -0.00715 123 3S 0.00527 -0.00497 -0.00006 -0.00200 0.00178 124 3PX 0.00456 0.00070 -0.00695 0.00270 0.00523 125 3PY 0.00277 -0.00022 -0.00095 -0.00022 -0.00115 126 3PZ -0.00474 0.00306 0.00194 -0.00093 -0.00462 127 4XX -0.00005 0.00020 -0.00031 0.00017 0.00001 128 4YY 0.00029 0.00026 -0.00075 -0.00008 0.00012 129 4ZZ -0.00024 0.00025 0.00039 -0.00007 -0.00037 130 4XY 0.00037 -0.00038 -0.00066 0.00014 0.00059 131 4XZ 0.00016 0.00039 -0.00056 -0.00004 -0.00006 132 4YZ 0.00013 0.00001 0.00008 -0.00041 -0.00015 133 15 C 1S 0.00114 0.00442 0.00232 -0.00122 0.00012 134 2S -0.00179 -0.00118 -0.00797 0.00080 -0.00125 135 2PX 0.00498 -0.01189 -0.00609 0.00306 0.01300 136 2PY -0.00283 0.00401 0.00167 0.00115 -0.00513 137 2PZ -0.00084 -0.00268 0.00726 -0.00786 -0.00562 138 3S -0.01371 0.00625 0.01182 0.00131 -0.00688 139 3PX 0.00401 -0.00827 -0.00951 0.00274 0.00939 140 3PY 0.00245 0.00463 -0.00338 0.00005 -0.00277 141 3PZ 0.00287 -0.00215 0.00422 -0.00445 -0.00241 142 4XX 0.00021 0.00045 0.00012 -0.00023 -0.00015 143 4YY -0.00006 -0.00029 -0.00089 0.00007 0.00023 144 4ZZ -0.00006 -0.00029 -0.00035 0.00025 0.00037 145 4XY -0.00024 0.00001 0.00023 -0.00026 -0.00013 146 4XZ 0.00007 -0.00044 -0.00103 -0.00007 0.00012 147 4YZ 0.00038 -0.00042 -0.00023 -0.00008 0.00033 148 16 C 1S -0.00280 0.01616 0.00431 -0.00231 -0.00811 149 2S 0.00779 -0.01799 -0.01439 0.00205 0.01196 150 2PX -0.01444 0.01129 0.01529 0.00805 -0.00445 151 2PY -0.00576 -0.01251 0.00995 0.00195 0.00264 152 2PZ -0.00470 0.01535 -0.00034 -0.00251 -0.01758 153 3S 0.01048 -0.00790 0.00832 -0.00053 0.00184 154 3PX -0.00309 0.00149 0.00169 0.00383 0.00276 155 3PY -0.01431 0.00783 0.01632 0.00023 -0.00986 156 3PZ -0.00039 -0.00160 -0.00652 -0.00035 -0.00336 157 4XX 0.00045 0.00274 -0.00036 -0.00042 -0.00056 158 4YY 0.00025 -0.00191 0.00026 0.00007 0.00064 159 4ZZ -0.00045 0.00106 0.00016 0.00023 -0.00073 160 4XY 0.00084 0.00167 0.00034 -0.00077 -0.00012 161 4XZ 0.00090 -0.00071 -0.00236 0.00020 0.00053 162 4YZ 0.00072 -0.00187 -0.00117 0.00006 0.00040 163 17 C 1S -0.00417 -0.00206 0.00777 -0.00161 -0.00183 164 2S 0.01307 -0.00286 -0.01811 0.00165 0.00853 165 2PX -0.00998 -0.03611 0.01456 0.00332 0.00684 166 2PY 0.00415 0.01224 -0.01614 0.00182 -0.00424 167 2PZ 0.02126 0.00482 -0.01044 -0.01676 0.00833 168 3S 0.00987 0.02345 -0.03340 -0.00410 0.00322 169 3PX -0.02541 -0.02851 0.01785 0.00648 0.00112 170 3PY 0.01581 -0.01174 -0.01978 0.00428 0.01069 171 3PZ 0.00353 0.01375 -0.00842 -0.00895 -0.00021 172 4XX 0.00071 -0.00010 0.00205 -0.00083 -0.00028 173 4YY 0.00110 -0.00093 -0.00093 0.00014 0.00100 174 4ZZ -0.00183 0.00164 0.00097 0.00026 -0.00148 175 4XY 0.00155 -0.00126 -0.00391 0.00067 0.00232 176 4XZ 0.00235 -0.00030 -0.00405 0.00061 0.00146 177 4YZ -0.00090 -0.00032 0.00288 -0.00123 -0.00100 178 18 H 1S -0.00340 0.00946 0.01036 -0.00868 -0.00696 179 2S -0.00476 0.00889 0.01461 -0.00988 -0.00930 180 19 H 1S -0.00055 0.00181 0.00153 0.00030 -0.00098 181 2S -0.00236 0.00192 0.00477 0.00082 -0.00297 182 20 H 1S 0.00013 -0.00536 -0.00194 -0.00175 0.00094 183 2S 0.00250 -0.00435 -0.00144 -0.00225 0.00171 184 21 H 1S -0.00286 0.00903 -0.01416 0.01076 -0.00319 185 2S -0.01275 0.01011 -0.00618 0.00972 -0.00648 186 22 O 1S -0.00006 0.00257 0.00070 -0.00022 -0.00037 187 2S -0.00186 -0.00912 0.00255 0.00128 0.00120 188 2PX 0.00300 0.03976 0.00558 -0.00487 -0.00945 189 2PY 0.00177 0.01590 -0.00768 -0.00238 -0.01044 190 2PZ 0.00691 -0.01535 -0.01974 0.00042 -0.00288 191 3S 0.00975 -0.00790 -0.01907 -0.00026 0.00705 192 3PX 0.00226 0.02779 0.00373 -0.00432 -0.00721 193 3PY -0.00136 0.00744 0.00156 -0.00056 -0.00741 194 3PZ 0.00621 -0.01178 -0.01391 0.00062 -0.00042 195 4XX -0.00062 0.00014 0.00120 -0.00008 -0.00062 196 4YY -0.00081 -0.00087 0.00104 0.00023 0.00044 197 4ZZ -0.00069 0.00051 0.00108 0.00000 -0.00080 198 4XY 0.00037 -0.00215 -0.00085 0.00004 0.00068 199 4XZ 0.00000 0.00029 -0.00013 -0.00003 0.00005 200 4YZ -0.00023 0.00033 0.00081 0.00007 0.00052 201 23 O 1S -0.00030 -0.00128 0.00031 0.00079 0.00007 202 2S -0.00044 0.00331 0.00128 -0.00159 -0.00128 203 2PX 0.00640 -0.01997 -0.02066 0.00976 0.01607 204 2PY 0.00231 0.00260 -0.00228 -0.00248 0.00064 205 2PZ -0.00913 0.00699 0.02472 -0.00558 -0.00728 206 3S 0.00701 0.01100 -0.01143 -0.00404 0.00215 207 3PX 0.00450 -0.01323 -0.01669 0.00772 0.01142 208 3PY 0.00437 0.00264 -0.00604 -0.00176 0.00199 209 3PZ -0.00827 0.00531 0.02052 -0.00426 -0.00673 210 4XX -0.00040 -0.00051 0.00053 0.00028 -0.00004 211 4YY 0.00005 -0.00013 0.00035 -0.00003 -0.00017 212 4ZZ -0.00067 -0.00076 0.00117 0.00023 -0.00025 213 4XY 0.00008 -0.00127 -0.00033 0.00036 0.00070 214 4XZ 0.00013 -0.00004 -0.00023 0.00001 0.00008 215 4YZ -0.00017 0.00021 0.00050 -0.00018 0.00004 46 47 48 49 50 46 4XX 0.00081 47 4YY 0.00014 0.00114 48 4ZZ 0.00013 -0.00058 0.00117 49 4XY -0.00014 -0.00004 0.00013 0.00072 50 4XZ -0.00009 -0.00022 0.00020 0.00007 0.00063 51 4YZ -0.00021 0.00011 0.00016 0.00034 0.00032 52 7 H 1S -0.00408 -0.00137 0.00483 0.00523 0.00571 53 2S -0.00068 -0.00079 0.00469 0.00482 0.00392 54 8 C 1S -0.00010 -0.00149 0.00006 -0.00019 -0.00037 55 2S 0.00046 0.00321 0.00026 0.00045 0.00096 56 2PX 0.00090 0.00138 -0.00172 -0.00840 0.00188 57 2PY 0.00009 0.00444 0.00040 0.00069 0.00093 58 2PZ -0.00150 0.00453 0.00095 0.00643 -0.00090 59 3S 0.00074 0.00462 -0.00041 -0.00129 0.00029 60 3PX 0.00101 0.00016 -0.00088 -0.00570 0.00226 61 3PY -0.00046 0.00253 -0.00029 -0.00061 -0.00098 62 3PZ -0.00080 0.00063 0.00226 0.00472 -0.00113 63 4XX 0.00011 -0.00013 -0.00011 -0.00022 -0.00011 64 4YY -0.00010 -0.00042 0.00020 -0.00009 0.00014 65 4ZZ -0.00008 0.00036 -0.00020 0.00027 -0.00010 66 4XY -0.00013 0.00002 -0.00007 -0.00016 -0.00014 67 4XZ -0.00004 0.00020 -0.00004 -0.00047 -0.00005 68 4YZ -0.00024 0.00035 -0.00043 0.00007 -0.00008 69 9 H 1S -0.00023 -0.00203 -0.00023 -0.00050 -0.00020 70 2S -0.00099 -0.00197 -0.00006 -0.00037 -0.00097 71 10 C 1S 0.00213 -0.00701 0.00325 0.00002 0.00054 72 2S -0.00488 0.01258 -0.00752 -0.00004 -0.00151 73 2PX 0.00027 -0.00020 0.00097 -0.01357 -0.00078 74 2PY -0.00678 0.00646 -0.01183 -0.00084 -0.00181 75 2PZ 0.00114 -0.00270 -0.00012 -0.00038 0.00038 76 3S -0.00238 0.01062 -0.00906 -0.00252 -0.00129 77 3PX 0.00029 0.00079 0.00010 -0.00868 -0.00024 78 3PY -0.00123 0.00208 -0.00447 -0.00153 -0.00032 79 3PZ 0.00013 0.00075 -0.00004 0.00218 -0.00081 80 4XX 0.00029 -0.00045 0.00031 0.00015 -0.00001 81 4YY -0.00045 -0.00018 -0.00012 -0.00004 0.00011 82 4ZZ 0.00031 -0.00012 0.00047 -0.00015 0.00014 83 4XY -0.00015 0.00004 0.00015 0.00001 -0.00029 84 4XZ -0.00001 0.00011 0.00014 0.00029 0.00005 85 4YZ 0.00005 0.00019 -0.00020 0.00039 0.00011 86 11 H 1S 0.00108 0.00059 0.00191 -0.00278 0.00032 87 2S 0.00173 -0.00294 0.00346 -0.00275 0.00127 88 12 C 1S -0.00032 -0.00012 0.00008 -0.00023 0.00017 89 2S 0.00046 0.00005 -0.00028 0.00067 -0.00027 90 2PX -0.00083 0.00037 0.00158 0.00048 0.00086 91 2PY 0.00064 0.00062 -0.00104 -0.00119 0.00036 92 2PZ 0.00080 -0.00058 -0.00084 -0.00030 -0.00081 93 3S 0.00125 0.00103 -0.00134 0.00161 -0.00067 94 3PX -0.00076 0.00053 0.00153 0.00028 0.00017 95 3PY 0.00042 0.00095 -0.00083 -0.00135 0.00025 96 3PZ 0.00083 -0.00007 -0.00107 -0.00007 -0.00052 97 4XX -0.00002 -0.00002 0.00006 -0.00013 0.00008 98 4YY 0.00001 0.00000 -0.00003 0.00005 -0.00001 99 4ZZ -0.00003 0.00001 0.00000 -0.00006 0.00002 100 4XY 0.00008 0.00006 -0.00014 -0.00031 0.00022 101 4XZ -0.00003 -0.00002 0.00002 0.00026 -0.00006 102 4YZ -0.00005 -0.00002 0.00007 0.00021 -0.00020 103 13 C 1S 0.00025 0.00018 -0.00004 -0.00019 0.00004 104 2S -0.00021 -0.00022 0.00035 0.00100 -0.00021 105 2PX -0.00027 0.00028 -0.00011 -0.00076 -0.00004 106 2PY 0.00019 -0.00020 0.00081 0.00072 -0.00019 107 2PZ 0.00057 0.00004 -0.00096 -0.00061 0.00045 108 3S -0.00021 -0.00059 0.00060 -0.00072 0.00046 109 3PX -0.00010 -0.00001 0.00019 0.00014 -0.00018 110 3PY -0.00022 -0.00012 -0.00001 0.00088 0.00018 111 3PZ 0.00025 -0.00004 -0.00025 0.00021 0.00029 112 4XX 0.00001 -0.00001 -0.00002 -0.00004 -0.00004 113 4YY -0.00002 0.00002 0.00000 -0.00002 0.00000 114 4ZZ 0.00001 -0.00002 0.00002 0.00004 0.00001 115 4XY -0.00007 0.00006 0.00012 0.00005 0.00002 116 4XZ -0.00003 -0.00001 0.00005 0.00015 -0.00002 117 4YZ 0.00008 -0.00003 -0.00014 -0.00012 0.00001 118 14 C 1S -0.00016 -0.00004 0.00002 0.00010 -0.00002 119 2S 0.00027 -0.00003 -0.00006 0.00025 0.00005 120 2PX -0.00139 0.00084 0.00139 0.00040 -0.00070 121 2PY 0.00025 0.00006 0.00022 -0.00007 -0.00008 122 2PZ 0.00083 -0.00073 -0.00129 -0.00020 0.00051 123 3S 0.00043 0.00036 -0.00023 -0.00080 -0.00003 124 3PX -0.00087 0.00048 0.00087 0.00049 -0.00031 125 3PY 0.00014 0.00008 0.00024 -0.00013 0.00002 126 3PZ 0.00055 -0.00058 -0.00082 -0.00021 0.00045 127 4XX 0.00000 0.00000 -0.00003 -0.00001 -0.00002 128 4YY 0.00002 0.00000 -0.00002 0.00004 0.00001 129 4ZZ -0.00004 0.00001 0.00003 0.00004 0.00000 130 4XY -0.00005 0.00004 0.00005 -0.00001 0.00000 131 4XZ 0.00001 -0.00001 0.00000 0.00006 0.00000 132 4YZ 0.00003 -0.00004 -0.00006 0.00000 0.00000 133 15 C 1S -0.00070 -0.00018 -0.00020 -0.00008 -0.00002 134 2S 0.00075 0.00003 -0.00011 0.00028 0.00010 135 2PX -0.00153 0.00101 0.00124 -0.00037 -0.00030 136 2PY 0.00004 -0.00004 -0.00014 0.00019 0.00003 137 2PZ 0.00064 -0.00086 -0.00120 0.00000 0.00030 138 3S 0.00007 -0.00041 0.00026 0.00011 -0.00027 139 3PX -0.00077 0.00077 0.00071 0.00010 -0.00029 140 3PY 0.00017 0.00007 -0.00003 0.00011 0.00009 141 3PZ 0.00065 -0.00044 -0.00082 0.00019 0.00024 142 4XX -0.00001 -0.00003 -0.00001 0.00005 -0.00005 143 4YY 0.00002 0.00000 -0.00001 0.00003 0.00000 144 4ZZ -0.00001 0.00003 0.00000 -0.00004 0.00006 145 4XY 0.00002 -0.00002 -0.00006 -0.00005 0.00003 146 4XZ 0.00006 0.00000 -0.00003 0.00002 0.00002 147 4YZ -0.00004 0.00003 0.00004 0.00000 0.00000 148 16 C 1S -0.00101 -0.00047 0.00002 -0.00009 0.00001 149 2S 0.00132 0.00021 -0.00051 0.00018 0.00032 150 2PX -0.00095 0.00059 0.00078 -0.00118 0.00055 151 2PY -0.00036 0.00000 0.00030 0.00022 -0.00038 152 2PZ 0.00053 -0.00064 0.00014 0.00154 -0.00114 153 3S 0.00069 0.00047 0.00007 0.00052 -0.00028 154 3PX -0.00050 0.00019 0.00039 -0.00058 0.00033 155 3PY -0.00069 -0.00068 0.00081 -0.00031 -0.00062 156 3PZ 0.00041 -0.00023 -0.00028 0.00068 -0.00041 157 4XX -0.00017 -0.00003 0.00017 0.00022 -0.00027 158 4YY 0.00006 0.00005 -0.00005 -0.00010 0.00010 159 4ZZ 0.00004 -0.00002 -0.00007 -0.00013 0.00018 160 4XY -0.00008 -0.00006 0.00006 0.00015 -0.00020 161 4XZ 0.00009 0.00003 -0.00007 -0.00001 0.00007 162 4YZ 0.00006 0.00008 -0.00007 -0.00021 0.00019 163 17 C 1S -0.00055 -0.00015 -0.00041 -0.00054 0.00043 164 2S 0.00065 0.00008 -0.00025 0.00073 -0.00067 165 2PX 0.00147 0.00150 -0.00241 -0.00500 0.00495 166 2PY -0.00037 -0.00047 0.00081 0.00089 -0.00039 167 2PZ -0.00052 -0.00103 0.00121 0.00406 -0.00452 168 3S 0.00005 -0.00174 0.00097 0.00162 -0.00110 169 3PX 0.00062 0.00073 -0.00136 -0.00466 0.00354 170 3PY 0.00033 0.00061 -0.00064 0.00071 -0.00023 171 3PZ -0.00075 -0.00117 0.00107 0.00283 -0.00322 172 4XX -0.00006 0.00003 0.00017 0.00004 0.00000 173 4YY 0.00005 0.00008 -0.00011 0.00000 0.00004 174 4ZZ -0.00005 -0.00004 0.00003 0.00001 -0.00004 175 4XY 0.00007 -0.00005 -0.00009 -0.00004 0.00006 176 4XZ 0.00013 0.00007 -0.00020 -0.00001 0.00015 177 4YZ -0.00003 0.00002 0.00005 0.00009 -0.00007 178 18 H 1S -0.00029 0.00005 0.00031 0.00098 -0.00031 179 2S -0.00033 0.00021 0.00014 0.00062 -0.00053 180 19 H 1S -0.00012 -0.00001 -0.00004 0.00022 -0.00004 181 2S -0.00012 -0.00003 0.00015 0.00028 -0.00011 182 20 H 1S 0.00004 0.00003 -0.00015 -0.00008 0.00011 183 2S -0.00007 0.00005 -0.00016 -0.00033 0.00023 184 21 H 1S 0.00018 0.00003 -0.00014 -0.00058 0.00092 185 2S -0.00005 -0.00013 -0.00027 -0.00098 0.00083 186 22 O 1S -0.00008 0.00002 -0.00002 0.00004 -0.00008 187 2S 0.00012 -0.00021 0.00012 -0.00017 0.00009 188 2PX -0.00183 -0.00042 0.00163 0.00163 -0.00229 189 2PY -0.00002 -0.00030 -0.00025 -0.00043 0.00054 190 2PZ 0.00118 0.00057 -0.00080 -0.00181 0.00158 191 3S 0.00055 0.00013 -0.00075 0.00014 0.00078 192 3PX -0.00122 -0.00042 0.00110 0.00134 -0.00183 193 3PY -0.00009 -0.00019 0.00006 -0.00043 0.00022 194 3PZ 0.00079 0.00053 -0.00059 -0.00152 0.00135 195 4XX -0.00003 -0.00002 0.00004 -0.00001 -0.00006 196 4YY -0.00001 -0.00001 0.00005 0.00000 -0.00005 197 4ZZ -0.00002 -0.00003 0.00004 -0.00005 -0.00001 198 4XY 0.00011 0.00001 -0.00009 -0.00003 0.00009 199 4XZ -0.00002 0.00000 0.00000 0.00001 -0.00001 200 4YZ -0.00007 -0.00001 0.00003 0.00002 -0.00003 201 23 O 1S -0.00001 -0.00007 0.00003 0.00001 0.00000 202 2S -0.00004 0.00014 -0.00012 -0.00023 -0.00002 203 2PX 0.00073 -0.00069 -0.00112 -0.00072 -0.00005 204 2PY -0.00011 -0.00004 -0.00087 -0.00055 0.00012 205 2PZ -0.00091 0.00021 0.00124 0.00157 -0.00040 206 3S -0.00005 0.00027 -0.00028 0.00098 0.00004 207 3PX 0.00057 -0.00053 -0.00087 -0.00054 -0.00004 208 3PY -0.00002 0.00003 -0.00065 0.00001 0.00008 209 3PZ -0.00074 0.00016 0.00104 0.00118 -0.00033 210 4XX 0.00001 -0.00001 0.00003 -0.00007 0.00000 211 4YY -0.00001 0.00000 -0.00004 -0.00005 -0.00001 212 4ZZ 0.00001 -0.00001 0.00003 -0.00005 -0.00001 213 4XY 0.00003 -0.00002 -0.00005 -0.00006 -0.00001 214 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 215 4YZ -0.00003 0.00001 0.00002 0.00004 0.00000 51 52 53 54 55 51 4YZ 0.00146 52 7 H 1S 0.01296 0.21459 53 2S 0.01150 0.16044 0.14181 54 8 C 1S -0.00241 -0.00896 -0.01359 2.05589 55 2S 0.00511 0.02074 0.02908 -0.06329 0.33143 56 2PX 0.00473 0.00406 -0.00065 0.00144 -0.00652 57 2PY 0.00554 0.01551 0.02823 0.00371 0.00249 58 2PZ 0.00783 0.02823 0.06261 -0.00187 0.00428 59 3S 0.00810 0.04450 0.05035 -0.20671 0.31135 60 3PX 0.00256 0.00252 -0.00337 -0.00760 0.00542 61 3PY 0.00283 0.00315 0.00885 -0.01131 -0.00267 62 3PZ 0.00380 0.02618 0.04212 0.00378 -0.01381 63 4XX -0.00029 -0.00034 -0.00162 -0.01098 -0.01389 64 4YY -0.00009 -0.00194 -0.00216 -0.01913 0.00304 65 4ZZ -0.00009 -0.00019 0.00042 -0.01373 -0.00741 66 4XY 0.00003 -0.00096 -0.00124 -0.00043 0.00061 67 4XZ 0.00012 -0.00023 -0.00041 -0.00236 0.00501 68 4YZ 0.00017 -0.00235 -0.00212 -0.00163 0.00338 69 9 H 1S -0.00222 -0.01000 -0.01718 -0.06319 0.11911 70 2S -0.00211 -0.01895 -0.02272 -0.01548 0.02816 71 10 C 1S 0.00025 0.01278 0.01417 0.01657 -0.03100 72 2S -0.00001 -0.02602 -0.02436 -0.03336 0.05698 73 2PX -0.00001 -0.00334 -0.01937 0.00863 -0.02147 74 2PY 0.00126 -0.04439 -0.07836 0.02730 -0.06163 75 2PZ -0.01309 -0.01974 -0.04381 0.07320 -0.14676 76 3S -0.00596 -0.06124 -0.06427 0.01490 0.00959 77 3PX 0.00179 0.00043 -0.00525 -0.00837 0.00937 78 3PY -0.00087 -0.02322 -0.03487 0.00691 -0.01093 79 3PZ -0.00261 0.00248 0.00209 0.00323 -0.02790 80 4XX -0.00005 0.00108 0.00173 0.00151 -0.00323 81 4YY -0.00019 0.00058 -0.00294 0.00247 -0.00596 82 4ZZ 0.00020 0.00191 0.00346 -0.00512 0.00944 83 4XY 0.00039 0.00278 0.00275 -0.00109 0.00185 84 4XZ -0.00011 0.00032 0.00127 -0.00203 0.00372 85 4YZ 0.00085 0.00742 0.00699 -0.00382 0.00713 86 11 H 1S -0.00742 -0.01557 -0.01614 0.01288 -0.02707 87 2S -0.00699 -0.01614 -0.01856 0.01728 -0.02976 88 12 C 1S 0.00007 0.00005 0.00107 -0.00218 0.00169 89 2S -0.00057 -0.00102 -0.00301 0.00219 -0.01447 90 2PX 0.00064 0.00227 0.01302 0.00677 -0.00988 91 2PY 0.00004 -0.00027 -0.00270 -0.00074 0.00195 92 2PZ -0.00102 -0.00315 -0.01412 -0.00720 0.00961 93 3S -0.00046 0.00376 0.00011 0.01396 0.00289 94 3PX 0.00148 0.00501 0.01576 -0.00429 0.00445 95 3PY 0.00032 -0.00061 -0.00161 -0.00076 0.01055 96 3PZ -0.00014 0.00007 -0.00602 -0.00187 0.01154 97 4XX 0.00002 0.00012 -0.00012 -0.00142 0.00265 98 4YY -0.00006 -0.00019 -0.00025 -0.00017 -0.00115 99 4ZZ 0.00005 -0.00013 0.00005 -0.00029 -0.00051 100 4XY 0.00005 -0.00019 -0.00042 -0.00080 0.00190 101 4XZ -0.00011 -0.00020 0.00011 0.00098 -0.00283 102 4YZ -0.00002 0.00013 0.00050 0.00075 -0.00157 103 13 C 1S 0.00005 -0.00011 -0.00126 -0.00136 0.00374 104 2S -0.00024 0.00004 0.00225 0.00288 -0.00715 105 2PX 0.00072 0.00184 0.00309 -0.00431 0.01330 106 2PY -0.00012 0.00036 0.00171 0.00208 -0.00151 107 2PZ -0.00007 -0.00162 -0.00368 0.00038 0.00082 108 3S -0.00063 -0.00205 -0.00313 0.00673 -0.01189 109 3PX 0.00037 0.00201 0.00357 -0.00416 0.01171 110 3PY -0.00059 -0.00070 -0.00160 -0.00117 -0.00819 111 3PZ -0.00002 0.00067 0.00062 0.00040 -0.00202 112 4XX -0.00002 -0.00006 -0.00085 -0.00087 0.00106 113 4YY -0.00001 -0.00011 -0.00016 0.00005 -0.00024 114 4ZZ 0.00001 -0.00016 0.00054 0.00007 0.00007 115 4XY 0.00007 0.00053 0.00076 0.00029 -0.00036 116 4XZ -0.00003 0.00012 0.00020 0.00054 -0.00111 117 4YZ 0.00001 -0.00037 -0.00034 -0.00047 0.00084 118 14 C 1S -0.00007 0.00005 -0.00007 -0.00002 0.00021 119 2S 0.00003 -0.00035 -0.00003 0.00075 -0.00014 120 2PX 0.00017 0.00598 -0.00294 -0.00164 -0.00116 121 2PY -0.00008 -0.00008 -0.00143 -0.00059 -0.00039 122 2PZ -0.00035 -0.00538 0.00082 -0.00001 0.00004 123 3S 0.00077 0.00099 0.00360 -0.00125 0.00497 124 3PX 0.00006 0.00434 -0.00164 0.00013 -0.00278 125 3PY 0.00027 0.00126 0.00254 -0.00073 0.00307 126 3PZ -0.00040 -0.00427 -0.00050 0.00038 -0.00074 127 4XX -0.00002 -0.00017 -0.00022 0.00019 -0.00021 128 4YY -0.00001 -0.00005 -0.00002 0.00007 -0.00002 129 4ZZ 0.00000 0.00006 0.00016 0.00017 0.00015 130 4XY 0.00000 0.00022 -0.00011 0.00006 -0.00018 131 4XZ -0.00001 -0.00008 0.00005 0.00009 -0.00015 132 4YZ 0.00001 -0.00012 0.00037 -0.00006 0.00018 133 15 C 1S 0.00018 0.00075 0.00050 -0.00005 0.00040 134 2S -0.00036 -0.00345 -0.00160 0.00020 -0.00049 135 2PX 0.00018 0.00536 -0.00393 -0.00083 -0.00151 136 2PY -0.00024 -0.00207 0.00049 0.00063 -0.00070 137 2PZ 0.00011 -0.00256 0.00878 0.00025 0.00210 138 3S -0.00043 -0.00208 -0.00419 0.00184 -0.00718 139 3PX -0.00012 0.00177 -0.00430 -0.00031 -0.00094 140 3PY 0.00020 -0.00008 0.00221 -0.00025 0.00096 141 3PZ 0.00021 -0.00013 0.00683 -0.00040 0.00295 142 4XX 0.00001 0.00017 0.00036 0.00015 -0.00022 143 4YY -0.00003 -0.00030 -0.00027 0.00003 -0.00014 144 4ZZ 0.00001 -0.00001 -0.00027 -0.00011 0.00033 145 4XY 0.00000 -0.00025 0.00003 0.00007 0.00010 146 4XZ -0.00003 -0.00046 -0.00016 0.00001 0.00001 147 4YZ 0.00003 0.00036 0.00031 0.00001 0.00011 148 16 C 1S 0.00000 0.00048 0.00108 0.00044 -0.00118 149 2S 0.00000 -0.00239 -0.00236 -0.00078 0.00248 150 2PX -0.00017 0.00079 -0.01012 -0.00151 -0.00038 151 2PY -0.00016 0.00049 -0.00067 0.00140 -0.00421 152 2PZ -0.00076 -0.00467 0.00537 0.00329 -0.00767 153 3S 0.00108 0.00743 0.00910 -0.00330 0.00735 154 3PX -0.00029 0.00081 -0.00499 -0.00017 0.00013 155 3PY -0.00012 0.00061 0.00064 0.00103 -0.00453 156 3PZ -0.00069 -0.00381 0.00098 0.00150 -0.00123 157 4XX -0.00007 0.00036 0.00006 0.00055 -0.00108 158 4YY 0.00005 0.00005 0.00016 -0.00007 0.00031 159 4ZZ 0.00006 0.00011 0.00037 -0.00023 0.00081 160 4XY -0.00001 0.00035 0.00042 0.00030 -0.00080 161 4XZ -0.00001 -0.00051 -0.00022 -0.00014 0.00033 162 4YZ 0.00007 -0.00007 0.00055 -0.00058 0.00117 163 17 C 1S 0.00011 0.00052 0.00035 -0.00132 0.00423 164 2S -0.00024 -0.00026 -0.00053 0.00220 -0.00345 165 2PX 0.00176 -0.00083 0.00010 -0.01083 0.02678 166 2PY 0.00013 0.00022 0.00285 -0.00193 0.00695 167 2PZ -0.00103 0.00071 0.00436 0.00764 -0.01874 168 3S -0.00132 -0.00217 -0.00115 0.00297 -0.02521 169 3PX 0.00061 -0.00585 -0.00752 -0.00715 0.02163 170 3PY -0.00036 -0.00076 -0.00144 0.00014 0.00870 171 3PZ -0.00154 -0.00368 -0.00276 0.00882 -0.02309 172 4XX 0.00010 0.00076 0.00104 -0.00034 0.00064 173 4YY -0.00002 0.00000 -0.00023 0.00001 0.00003 174 4ZZ 0.00001 -0.00015 -0.00005 -0.00017 0.00044 175 4XY 0.00002 -0.00009 -0.00060 -0.00036 0.00044 176 4XZ 0.00000 -0.00016 -0.00029 -0.00011 0.00039 177 4YZ 0.00000 0.00009 0.00075 0.00047 -0.00046 178 18 H 1S 0.00011 0.00049 0.00452 0.00513 -0.01127 179 2S 0.00046 -0.00016 0.00518 0.00352 -0.00587 180 19 H 1S -0.00005 -0.00014 -0.00043 0.00004 -0.00040 181 2S -0.00011 -0.00033 -0.00046 -0.00004 -0.00012 182 20 H 1S -0.00005 -0.00109 0.00166 0.00008 0.00027 183 2S 0.00016 0.00044 0.00290 -0.00041 0.00144 184 21 H 1S -0.00003 -0.00134 -0.00342 -0.00151 0.00459 185 2S -0.00024 -0.00435 -0.00728 -0.00096 0.00251 186 22 O 1S -0.00005 0.00021 -0.00054 -0.00016 0.00014 187 2S 0.00015 -0.00021 0.00131 0.00044 -0.00059 188 2PX -0.00050 0.00499 0.00045 0.00266 -0.00982 189 2PY 0.00019 -0.00096 0.00494 -0.00117 0.00433 190 2PZ 0.00041 -0.00449 0.00818 -0.00561 0.01018 191 3S -0.00012 -0.00342 -0.00045 0.00056 0.00111 192 3PX -0.00035 0.00305 0.00099 0.00217 -0.00756 193 3PY 0.00026 0.00075 0.00399 -0.00108 0.00314 194 3PZ 0.00048 -0.00209 0.00591 -0.00457 0.00851 195 4XX 0.00000 0.00009 0.00020 0.00004 -0.00004 196 4YY -0.00001 -0.00001 -0.00052 0.00008 -0.00042 197 4ZZ 0.00003 0.00014 0.00033 -0.00007 0.00008 198 4XY 0.00002 -0.00021 0.00026 -0.00006 0.00041 199 4XZ -0.00001 -0.00008 -0.00021 0.00001 -0.00009 200 4YZ 0.00000 0.00029 -0.00050 0.00014 -0.00018 201 23 O 1S -0.00002 0.00003 -0.00002 0.00002 0.00013 202 2S 0.00008 0.00001 0.00020 0.00104 -0.00046 203 2PX -0.00040 -0.00414 -0.00748 -0.00671 0.01575 204 2PY -0.00004 -0.00131 -0.00162 -0.00220 0.00162 205 2PZ -0.00015 0.00334 0.00217 0.00470 -0.01021 206 3S -0.00034 -0.00032 -0.00066 -0.00434 -0.00425 207 3PX -0.00035 -0.00338 -0.00596 -0.00329 0.00846 208 3PY -0.00012 -0.00100 -0.00128 -0.00274 0.00043 209 3PZ -0.00013 0.00243 0.00173 0.00334 -0.00741 210 4XX 0.00002 0.00006 -0.00002 0.00048 0.00031 211 4YY 0.00003 0.00004 0.00013 0.00036 0.00023 212 4ZZ 0.00002 0.00005 0.00011 0.00073 0.00009 213 4XY 0.00000 -0.00014 -0.00026 -0.00027 0.00091 214 4XZ 0.00000 -0.00004 -0.00002 -0.00001 0.00004 215 4YZ -0.00001 0.00007 -0.00006 0.00020 -0.00049 56 57 58 59 60 56 2PX 0.31533 57 2PY -0.00024 0.42633 58 2PZ 0.03439 0.01291 0.40305 59 3S 0.03952 -0.02359 -0.00879 0.34777 60 3PX 0.18703 0.01263 -0.02040 0.03015 0.12145 61 3PY 0.01293 0.13326 0.00871 0.00643 0.00858 62 3PZ -0.04064 -0.00687 0.17273 -0.01842 -0.04353 63 4XX 0.00440 0.00350 -0.00535 -0.01165 0.00305 64 4YY -0.00583 -0.01410 -0.01207 0.00568 -0.00241 65 4ZZ 0.00151 0.00582 0.01397 -0.00882 -0.00081 66 4XY 0.00654 -0.01015 0.00270 0.00285 0.00275 67 4XZ 0.00330 0.00318 -0.00147 0.00630 0.00243 68 4YZ 0.00232 -0.00916 0.00965 0.00458 0.00011 69 9 H 1S -0.03739 -0.25553 -0.06628 0.13242 -0.02073 70 2S -0.04007 -0.21197 -0.04177 0.04372 -0.02534 71 10 C 1S -0.01748 -0.02190 -0.07273 -0.00804 -0.00161 72 2S 0.03322 0.03997 0.15473 0.03679 0.00178 73 2PX 0.16767 -0.00466 -0.14985 0.03777 0.11278 74 2PY -0.02421 -0.01298 -0.13056 -0.02115 -0.00960 75 2PZ -0.12699 -0.08654 -0.23937 -0.17104 -0.05876 76 3S 0.05449 0.06966 0.06875 -0.02746 0.02340 77 3PX 0.11319 0.00684 -0.06961 0.05224 0.07440 78 3PY -0.00516 0.02187 -0.08376 0.00133 0.00455 79 3PZ -0.06874 -0.03436 -0.03619 -0.03125 -0.04114 80 4XX -0.00560 -0.00179 -0.00420 -0.00296 -0.00290 81 4YY -0.00240 -0.01058 -0.00786 -0.00533 -0.00114 82 4ZZ 0.00452 0.00880 0.00063 0.00843 0.00351 83 4XY -0.00261 -0.00242 0.00344 0.00462 -0.00266 84 4XZ -0.00964 0.00364 0.00392 0.00072 -0.00582 85 4YZ 0.00296 -0.00677 0.00782 0.01033 0.00102 86 11 H 1S -0.01153 0.00321 -0.04706 -0.05735 -0.00233 87 2S -0.02321 0.01819 -0.09172 -0.06035 -0.00206 88 12 C 1S -0.00918 -0.00199 0.00252 0.01604 0.00305 89 2S 0.01120 -0.00055 -0.00243 -0.01271 -0.00219 90 2PX -0.13337 -0.01646 0.05601 0.00213 -0.08489 91 2PY -0.02344 -0.01291 0.00923 0.01356 -0.01374 92 2PZ 0.08120 0.00658 -0.05386 0.02921 0.05589 93 3S 0.02579 0.02237 -0.00309 0.00033 -0.00313 94 3PX -0.08701 -0.01613 0.05247 0.01466 -0.05792 95 3PY -0.00039 0.02027 0.00049 0.00924 -0.00281 96 3PZ 0.06896 0.00347 -0.02778 0.01973 0.04284 97 4XX 0.00059 0.00179 -0.00456 0.00318 0.00116 98 4YY -0.00207 -0.00193 0.00099 -0.00084 -0.00108 99 4ZZ 0.00287 0.00084 0.00125 -0.00171 0.00164 100 4XY 0.00344 -0.00098 -0.00231 0.00171 0.00278 101 4XZ -0.00522 -0.00137 0.00247 -0.00430 -0.00375 102 4YZ -0.00188 0.00051 0.00178 -0.00277 -0.00217 103 13 C 1S 0.00681 -0.00016 -0.00105 -0.00550 0.00452 104 2S -0.02261 0.00132 0.00429 0.00077 -0.01466 105 2PX -0.00001 -0.00716 0.00634 0.01957 -0.00834 106 2PY -0.01916 -0.00124 0.00368 -0.02222 -0.01686 107 2PZ 0.02886 0.00457 -0.00971 -0.02713 0.02211 108 3S -0.00049 0.00380 -0.01268 -0.00610 0.00242 109 3PX -0.00409 -0.00957 0.00329 0.02019 -0.00865 110 3PY -0.02696 -0.00357 -0.00014 -0.00769 -0.01539 111 3PZ 0.00708 -0.00692 0.00334 -0.00773 0.00638 112 4XX 0.00744 -0.00002 -0.00283 0.00093 0.00439 113 4YY -0.00287 -0.00021 0.00044 0.00029 -0.00106 114 4ZZ -0.00374 0.00031 0.00169 -0.00215 -0.00301 115 4XY -0.00420 -0.00016 0.00228 -0.00274 -0.00073 116 4XZ -0.00264 0.00013 0.00074 -0.00218 -0.00174 117 4YZ 0.00590 0.00065 -0.00193 0.00033 0.00413 118 14 C 1S 0.00034 -0.00018 -0.00051 0.00066 -0.00132 119 2S -0.00333 0.00000 0.00313 -0.00891 -0.00075 120 2PX 0.01461 -0.00208 -0.00161 0.02341 0.01832 121 2PY 0.00008 -0.00064 -0.00039 0.01187 0.00051 122 2PZ -0.01274 0.00084 0.00063 0.00347 -0.01687 123 3S 0.01846 0.00671 0.00011 -0.00710 0.01881 124 3PX 0.00935 -0.00314 0.00097 0.01198 0.01218 125 3PY 0.00303 -0.00503 0.00206 0.01151 0.00464 126 3PZ -0.01127 -0.00057 -0.00211 0.00133 -0.01294 127 4XX 0.00100 0.00036 -0.00037 -0.00051 0.00066 128 4YY -0.00009 -0.00008 0.00040 0.00032 -0.00009 129 4ZZ -0.00156 -0.00019 0.00076 0.00043 -0.00110 130 4XY 0.00106 0.00041 -0.00043 -0.00028 0.00138 131 4XZ -0.00114 0.00003 0.00039 -0.00063 -0.00073 132 4YZ -0.00046 -0.00015 0.00019 -0.00010 -0.00094 133 15 C 1S 0.00064 0.00033 -0.00011 -0.00086 0.00059 134 2S -0.00130 -0.00088 0.00114 -0.00102 -0.00090 135 2PX 0.02578 0.00340 -0.00905 0.01163 0.02935 136 2PY -0.00252 -0.00023 -0.00018 -0.00774 -0.00285 137 2PZ -0.01984 -0.00265 0.00669 -0.00461 -0.02290 138 3S -0.00659 -0.00169 -0.00138 -0.00994 -0.01119 139 3PX 0.01373 0.00235 -0.00381 0.00474 0.01763 140 3PY 0.00220 -0.00328 0.00368 -0.00074 0.00315 141 3PZ -0.01486 -0.00137 0.00708 -0.00078 -0.01769 142 4XX 0.00010 -0.00022 0.00037 -0.00056 -0.00018 143 4YY -0.00030 -0.00012 0.00011 -0.00031 -0.00017 144 4ZZ 0.00060 0.00027 -0.00037 0.00034 0.00063 145 4XY -0.00025 0.00013 -0.00008 -0.00063 -0.00055 146 4XZ 0.00021 0.00009 -0.00012 -0.00040 0.00021 147 4YZ 0.00054 0.00005 0.00003 -0.00013 0.00083 148 16 C 1S -0.00336 -0.00147 0.00165 0.00166 -0.00215 149 2S 0.01222 0.00461 -0.00574 -0.00240 0.00935 150 2PX 0.00016 -0.00003 -0.00477 0.01537 0.00056 151 2PY -0.01194 -0.00597 0.00571 -0.00261 -0.01215 152 2PZ -0.02321 -0.00956 0.01342 -0.00951 -0.01861 153 3S 0.00070 0.00436 0.01391 0.00591 -0.00116 154 3PX 0.00368 0.00482 -0.00875 0.00860 0.00307 155 3PY -0.00103 -0.00079 -0.00151 -0.00173 -0.00134 156 3PZ -0.01201 -0.00116 0.00148 -0.00332 -0.00777 157 4XX -0.00053 -0.00034 0.00095 -0.00076 -0.00048 158 4YY 0.00031 -0.00002 0.00009 0.00081 0.00027 159 4ZZ 0.00070 0.00072 -0.00059 0.00051 0.00046 160 4XY -0.00160 -0.00075 0.00130 0.00018 -0.00179 161 4XZ 0.00142 0.00040 -0.00077 0.00004 0.00149 162 4YZ 0.00250 0.00108 -0.00168 0.00270 0.00331 163 17 C 1S 0.00159 0.00502 -0.00177 -0.00153 0.00006 164 2S -0.00358 -0.00693 0.00437 -0.00127 -0.00173 165 2PX 0.01973 0.01966 -0.02069 0.03342 0.02747 166 2PY 0.02129 0.01450 -0.01062 -0.00500 0.01897 167 2PZ -0.01248 -0.01233 0.01574 -0.02245 -0.01915 168 3S -0.00812 -0.04041 -0.00103 -0.01581 0.00387 169 3PX 0.02350 0.02179 -0.03431 0.02724 0.02709 170 3PY 0.01131 0.02224 -0.01031 0.00052 0.00570 171 3PZ -0.01530 -0.01288 0.00852 -0.02745 -0.01735 172 4XX -0.00125 0.00065 0.00030 0.00113 -0.00082 173 4YY 0.00015 0.00001 -0.00007 0.00004 -0.00015 174 4ZZ -0.00020 0.00026 0.00055 -0.00010 -0.00017 175 4XY 0.00661 0.00139 -0.00291 -0.00036 0.00443 176 4XZ 0.00229 0.00045 -0.00109 -0.00031 0.00205 177 4YZ -0.00434 -0.00058 0.00278 -0.00140 -0.00318 178 18 H 1S -0.00478 0.00225 0.01742 -0.02927 -0.01041 179 2S -0.00488 0.00106 0.02204 -0.02355 -0.00800 180 19 H 1S -0.00336 -0.00039 0.00151 0.00251 -0.00201 181 2S -0.00798 -0.00179 0.00154 0.00358 -0.00650 182 20 H 1S 0.00156 0.00031 -0.00099 -0.00218 0.00160 183 2S 0.00496 0.00267 -0.00351 -0.00109 0.00557 184 21 H 1S 0.01332 0.00343 -0.00860 0.00371 0.01318 185 2S 0.01542 0.00349 -0.01171 0.00107 0.01231 186 22 O 1S 0.00043 0.00067 -0.00020 0.00201 0.00043 187 2S -0.00120 -0.00200 0.00107 -0.00485 -0.00188 188 2PX -0.01952 -0.00519 0.01283 0.01021 -0.01780 189 2PY 0.01041 0.00526 -0.00550 -0.00084 0.01264 190 2PZ 0.03097 0.01113 -0.01971 0.02951 0.03848 191 3S -0.00179 -0.00264 -0.00157 -0.00843 -0.00013 192 3PX -0.01465 -0.00487 0.01097 0.00478 -0.01394 193 3PY 0.00729 0.00445 -0.00285 0.00128 0.00802 194 3PZ 0.02574 0.00948 -0.01546 0.02281 0.03048 195 4XX -0.00006 0.00009 0.00025 0.00005 -0.00008 196 4YY -0.00023 -0.00042 0.00010 0.00004 -0.00051 197 4ZZ 0.00042 0.00008 0.00001 0.00058 0.00034 198 4XY 0.00078 0.00026 -0.00046 -0.00082 0.00073 199 4XZ 0.00003 -0.00006 -0.00002 -0.00011 -0.00006 200 4YZ -0.00053 -0.00014 0.00032 -0.00087 -0.00099 201 23 O 1S 0.00136 -0.00116 -0.00019 0.00330 -0.00187 202 2S 0.00093 0.00384 -0.00023 -0.00025 0.00774 203 2PX 0.05923 -0.00594 -0.02457 0.03812 0.00780 204 2PY 0.01343 -0.00120 -0.00546 0.03808 0.00519 205 2PZ -0.05466 -0.00484 0.01910 -0.01562 -0.04016 206 3S -0.02489 -0.00046 0.00378 -0.01609 -0.00652 207 3PX 0.04590 -0.00204 -0.01823 0.02431 0.00849 208 3PY 0.00295 -0.00080 -0.00220 0.01949 -0.00063 209 3PZ -0.04436 -0.00324 0.01408 -0.01008 -0.03220 210 4XX 0.00178 -0.00015 -0.00043 0.00007 0.00132 211 4YY 0.00147 0.00053 -0.00012 0.00290 0.00044 212 4ZZ 0.00060 0.00048 0.00011 -0.00029 0.00009 213 4XY 0.00279 -0.00045 -0.00088 0.00179 0.00030 214 4XZ 0.00028 0.00006 -0.00012 0.00016 -0.00002 215 4YZ -0.00144 0.00009 0.00039 -0.00134 -0.00095 61 62 63 64 65 61 3PY 0.05357 62 3PZ 0.00229 0.09378 63 4XX 0.00109 -0.00264 0.00124 64 4YY -0.00373 -0.00336 -0.00036 0.00176 65 4ZZ 0.00123 0.00524 0.00024 -0.00089 0.00137 66 4XY -0.00209 0.00053 -0.00019 0.00023 -0.00005 67 4XZ 0.00207 -0.00148 -0.00012 0.00001 -0.00019 68 4YZ -0.00199 0.00318 -0.00035 0.00020 0.00000 69 9 H 1S -0.07892 -0.02011 -0.00726 0.01364 -0.00887 70 2S -0.05813 -0.00186 -0.00433 0.01181 -0.00640 71 10 C 1S -0.00840 -0.01383 0.00229 0.00284 -0.00568 72 2S 0.02299 0.04139 -0.00498 -0.00623 0.01026 73 2PX 0.02605 -0.08790 0.00572 0.00308 -0.00766 74 2PY 0.02047 -0.05890 0.00165 0.00950 -0.00653 75 2PZ -0.04443 -0.08069 0.00689 0.00628 -0.00122 76 3S 0.01648 -0.01121 0.00034 -0.00996 0.01086 77 3PX 0.02245 -0.04676 0.00238 0.00190 -0.00520 78 3PY 0.01160 -0.04187 0.00158 0.00245 -0.00328 79 3PZ -0.01116 0.00103 0.00017 0.00255 0.00037 80 4XX -0.00116 0.00013 0.00020 0.00019 -0.00031 81 4YY -0.00307 -0.00283 0.00009 0.00075 -0.00032 82 4ZZ 0.00214 -0.00085 -0.00019 -0.00037 -0.00002 83 4XY 0.00105 0.00319 -0.00017 0.00020 -0.00025 84 4XZ 0.00033 0.00281 -0.00036 -0.00007 0.00024 85 4YZ -0.00178 0.00345 -0.00033 0.00002 -0.00014 86 11 H 1S -0.00889 -0.02464 0.00193 -0.00239 0.00409 87 2S -0.00891 -0.04026 0.00267 -0.00061 0.00077 88 12 C 1S 0.00329 0.00073 -0.00139 0.00047 -0.00064 89 2S 0.00226 0.00203 0.00240 -0.00220 0.00033 90 2PX -0.00053 0.05371 -0.00525 0.00421 -0.00123 91 2PY 0.01260 0.01904 -0.00211 0.00137 -0.00080 92 2PZ 0.00150 -0.02390 0.00522 -0.00200 -0.00237 93 3S -0.00356 -0.00862 0.00416 -0.00485 0.00036 94 3PX 0.00091 0.04238 -0.00465 0.00346 -0.00099 95 3PY 0.00836 -0.00177 -0.00087 -0.00045 0.00005 96 3PZ -0.00155 -0.02061 0.00347 -0.00211 -0.00087 97 4XX 0.00051 -0.00255 -0.00017 0.00022 -0.00016 98 4YY -0.00019 0.00136 -0.00004 0.00008 0.00002 99 4ZZ -0.00039 -0.00066 0.00010 -0.00010 0.00011 100 4XY -0.00063 -0.00284 -0.00013 0.00012 -0.00011 101 4XZ -0.00101 0.00201 0.00005 -0.00004 0.00018 102 4YZ 0.00047 0.00074 0.00003 -0.00009 0.00022 103 13 C 1S -0.00489 -0.00600 -0.00052 -0.00010 0.00006 104 2S 0.00248 0.01128 0.00071 -0.00007 -0.00030 105 2PX 0.00684 -0.01184 -0.00315 0.00189 0.00090 106 2PY -0.00707 0.00022 0.00045 0.00051 -0.00002 107 2PZ -0.01082 -0.01487 0.00160 -0.00088 0.00055 108 3S 0.00130 -0.00287 0.00099 0.00013 -0.00041 109 3PX 0.00145 -0.00265 -0.00146 0.00107 -0.00014 110 3PY -0.00092 0.00686 -0.00043 0.00055 0.00036 111 3PZ -0.00806 0.00152 0.00094 -0.00042 -0.00017 112 4XX -0.00056 -0.00317 0.00028 -0.00016 -0.00002 113 4YY 0.00053 0.00151 -0.00015 0.00007 -0.00005 114 4ZZ -0.00028 0.00070 -0.00016 0.00009 0.00010 115 4XY 0.00036 0.00208 -0.00022 0.00009 0.00006 116 4XZ -0.00042 0.00074 0.00004 -0.00003 0.00006 117 4YZ 0.00134 -0.00221 0.00008 -0.00009 0.00010 118 14 C 1S -0.00159 0.00020 0.00017 0.00008 -0.00002 119 2S 0.00015 0.00051 -0.00021 0.00000 0.00060 120 2PX 0.00704 0.00239 -0.00004 -0.00058 -0.00085 121 2PY -0.00053 0.00338 -0.00005 -0.00028 -0.00022 122 2PZ -0.00325 0.00700 0.00009 0.00008 -0.00020 123 3S 0.01219 -0.00542 -0.00051 -0.00021 0.00067 124 3PX 0.00235 0.00213 0.00012 -0.00046 -0.00036 125 3PY 0.00267 0.00349 -0.00026 0.00012 -0.00050 126 3PZ -0.00220 0.00343 0.00000 0.00027 -0.00008 127 4XX -0.00005 -0.00010 0.00012 -0.00007 -0.00002 128 4YY -0.00021 0.00025 -0.00002 -0.00004 0.00003 129 4ZZ 0.00021 0.00051 -0.00010 0.00005 0.00000 130 4XY 0.00020 -0.00042 0.00005 -0.00005 -0.00001 131 4XZ -0.00012 0.00045 0.00001 0.00000 0.00001 132 4YZ -0.00003 -0.00027 -0.00003 0.00005 0.00004 133 15 C 1S 0.00098 -0.00143 -0.00002 0.00009 -0.00001 134 2S -0.00398 0.00242 0.00007 -0.00025 0.00020 135 2PX 0.01025 -0.00616 0.00041 -0.00072 -0.00060 136 2PY -0.00152 -0.00025 0.00024 0.00014 -0.00009 137 2PZ -0.00089 0.00398 -0.00064 0.00080 0.00047 138 3S -0.01059 0.00459 0.00098 0.00011 -0.00024 139 3PX 0.00531 -0.00330 0.00022 -0.00076 -0.00008 140 3PY 0.00233 0.00331 -0.00021 0.00007 0.00003 141 3PZ -0.00073 0.00349 -0.00070 0.00049 0.00047 142 4XX -0.00012 0.00005 0.00004 -0.00001 0.00002 143 4YY -0.00002 0.00007 -0.00001 -0.00002 0.00003 144 4ZZ 0.00014 -0.00047 -0.00004 0.00001 -0.00001 145 4XY 0.00002 -0.00012 0.00000 0.00002 0.00003 146 4XZ -0.00026 -0.00033 0.00000 0.00000 0.00003 147 4YZ 0.00015 -0.00031 -0.00002 0.00001 0.00001 148 16 C 1S 0.00072 0.00456 0.00027 0.00009 -0.00012 149 2S -0.00218 -0.01137 -0.00013 -0.00015 0.00039 150 2PX 0.00965 0.00858 -0.00020 0.00001 -0.00113 151 2PY 0.00504 0.01035 -0.00003 -0.00003 -0.00034 152 2PZ -0.00568 0.01408 0.00039 -0.00023 0.00024 153 3S 0.00064 0.00181 -0.00114 -0.00033 0.00089 154 3PX 0.00528 -0.00206 0.00020 -0.00008 -0.00056 155 3PY 0.00140 0.00195 0.00074 0.00013 -0.00059 156 3PZ -0.00334 0.00037 0.00030 -0.00032 0.00010 157 4XX 0.00030 0.00116 0.00017 -0.00013 0.00008 158 4YY 0.00040 0.00023 -0.00009 0.00004 -0.00006 159 4ZZ -0.00056 -0.00081 -0.00005 0.00007 -0.00004 160 4XY 0.00123 0.00147 0.00004 -0.00004 0.00008 161 4XZ -0.00052 -0.00111 0.00001 -0.00002 0.00002 162 4YZ 0.00080 -0.00224 -0.00016 0.00006 -0.00009 163 17 C 1S -0.00157 -0.00375 -0.00036 0.00003 0.00000 164 2S -0.00049 0.00543 0.00059 -0.00038 0.00021 165 2PX 0.00402 -0.03185 -0.00377 0.00210 -0.00160 166 2PY -0.01356 -0.02255 0.00123 -0.00048 0.00068 167 2PZ 0.00616 0.01717 0.00194 -0.00116 0.00190 168 3S -0.00446 0.00931 0.00161 0.00088 -0.00023 169 3PX 0.00509 -0.03302 -0.00213 0.00167 -0.00207 170 3PY -0.00401 -0.01609 0.00141 -0.00167 0.00056 171 3PZ 0.00057 0.01289 0.00215 -0.00096 0.00135 172 4XX 0.00052 0.00055 -0.00022 0.00017 0.00000 173 4YY 0.00026 0.00008 0.00005 -0.00010 0.00000 174 4ZZ -0.00060 -0.00013 0.00004 -0.00002 0.00000 175 4XY 0.00013 -0.00295 0.00019 -0.00015 0.00006 176 4XZ -0.00097 -0.00182 0.00007 -0.00011 0.00007 177 4YZ 0.00017 0.00145 -0.00023 0.00007 0.00014 178 18 H 1S -0.00424 -0.00160 0.00009 -0.00125 0.00217 179 2S -0.00179 0.00097 -0.00067 -0.00061 0.00208 180 19 H 1S 0.00111 0.00409 -0.00003 -0.00005 -0.00019 181 2S -0.00184 0.00496 0.00003 0.00013 -0.00048 182 20 H 1S 0.00130 -0.00147 -0.00004 0.00008 0.00008 183 2S 0.00275 -0.00525 -0.00014 0.00018 0.00007 184 21 H 1S -0.00920 -0.00896 0.00083 -0.00032 -0.00050 185 2S -0.00905 -0.00991 0.00094 -0.00017 -0.00061 186 22 O 1S 0.00120 -0.00053 -0.00002 -0.00006 0.00000 187 2S -0.00195 0.00156 0.00001 0.00015 -0.00009 188 2PX 0.01744 0.01892 0.00061 -0.00095 0.00085 189 2PY -0.00930 -0.00991 0.00026 0.00015 0.00008 190 2PZ 0.00808 -0.02542 -0.00122 0.00017 -0.00093 191 3S -0.00698 -0.00195 -0.00022 0.00016 0.00037 192 3PX 0.01141 0.01387 0.00052 -0.00072 0.00076 193 3PY -0.00424 -0.00560 0.00017 0.00006 -0.00010 194 3PZ 0.00637 -0.01978 -0.00101 0.00018 -0.00069 195 4XX 0.00002 0.00015 0.00003 -0.00001 -0.00002 196 4YY 0.00064 0.00044 0.00000 0.00000 -0.00002 197 4ZZ 0.00018 -0.00003 0.00000 0.00002 -0.00004 198 4XY -0.00095 -0.00107 -0.00003 0.00004 -0.00001 199 4XZ 0.00000 0.00006 0.00002 0.00000 0.00001 200 4YZ -0.00018 0.00057 0.00005 -0.00001 0.00003 201 23 O 1S -0.00005 -0.00172 0.00012 0.00003 -0.00011 202 2S 0.00303 0.00381 -0.00036 -0.00040 -0.00010 203 2PX -0.01147 -0.04097 0.00119 -0.00008 0.00010 204 2PY 0.01183 -0.00075 -0.00034 0.00000 -0.00018 205 2PZ -0.02446 0.01837 0.00021 0.00047 -0.00073 206 3S -0.00237 0.01046 -0.00077 -0.00005 0.00046 207 3PX -0.00817 -0.02889 0.00132 -0.00041 0.00008 208 3PY 0.00586 0.00052 -0.00021 0.00000 0.00008 209 3PZ -0.01637 0.01435 -0.00014 0.00052 -0.00052 210 4XX -0.00005 -0.00043 0.00005 -0.00002 -0.00006 211 4YY 0.00108 -0.00023 0.00000 -0.00003 -0.00001 212 4ZZ -0.00010 -0.00030 0.00002 -0.00002 -0.00002 213 4XY -0.00030 -0.00211 -0.00002 0.00004 0.00003 214 4XZ 0.00012 -0.00028 0.00000 0.00000 0.00002 215 4YZ -0.00118 0.00035 0.00005 -0.00001 -0.00001 66 67 68 69 70 66 4XY 0.00058 67 4XZ 0.00000 0.00073 68 4YZ 0.00043 -0.00007 0.00098 69 9 H 1S 0.00564 0.00009 0.00598 0.21366 70 2S 0.00496 -0.00057 0.00524 0.15466 0.13514 71 10 C 1S -0.00076 -0.00186 -0.00340 0.01213 0.01192 72 2S 0.00168 0.00349 0.00685 -0.02456 -0.02095 73 2PX 0.00297 0.01150 -0.00393 0.00526 0.01094 74 2PY 0.00225 -0.00103 0.00835 0.03113 0.05958 75 2PZ -0.00352 -0.00419 -0.00922 0.03318 0.04481 76 3S -0.00024 0.00252 0.00258 -0.06097 -0.06040 77 3PX 0.00202 0.00822 -0.00115 0.00423 0.00525 78 3PY -0.00033 0.00038 0.00115 0.00121 0.00471 79 3PZ -0.00087 -0.00232 -0.00150 0.02122 0.02508 80 4XX -0.00017 -0.00022 -0.00030 0.00072 0.00094 81 4YY 0.00024 -0.00011 0.00026 0.00617 0.00691 82 4ZZ -0.00020 0.00028 -0.00047 -0.00299 -0.00534 83 4XY 0.00018 0.00027 0.00020 0.00251 0.00297 84 4XZ -0.00030 0.00001 -0.00011 -0.00064 -0.00102 85 4YZ 0.00027 -0.00021 0.00055 0.00544 0.00283 86 11 H 1S -0.00201 0.00209 -0.00622 -0.01576 -0.01677 87 2S -0.00289 0.00131 -0.00747 -0.01722 -0.01946 88 12 C 1S 0.00006 0.00124 0.00011 0.00447 0.00623 89 2S 0.00036 -0.00319 -0.00027 -0.00840 -0.00771 90 2PX -0.00158 0.00557 0.00119 0.01955 0.02868 91 2PY 0.00191 0.00251 -0.00045 0.01376 0.02589 92 2PZ 0.00129 -0.00141 -0.00130 -0.00579 -0.02110 93 3S -0.00042 -0.00461 -0.00041 -0.02220 -0.04322 94 3PX -0.00047 0.00411 0.00150 0.01992 0.02643 95 3PY 0.00023 0.00217 -0.00073 -0.00742 -0.00699 96 3PZ 0.00095 -0.00177 -0.00035 -0.00516 -0.01905 97 4XX -0.00005 0.00024 -0.00015 0.00065 -0.00036 98 4YY 0.00006 -0.00003 0.00004 0.00092 0.00160 99 4ZZ -0.00004 -0.00003 0.00008 -0.00122 -0.00101 100 4XY 0.00002 0.00024 0.00004 0.00140 0.00069 101 4XZ -0.00010 -0.00027 0.00005 -0.00023 0.00051 102 4YZ -0.00001 -0.00031 -0.00001 -0.00106 -0.00024 103 13 C 1S 0.00026 -0.00005 0.00006 0.00070 -0.00093 104 2S -0.00075 -0.00030 0.00002 -0.00179 -0.00124 105 2PX 0.00088 0.00146 0.00015 0.01144 0.00499 106 2PY -0.00052 -0.00017 -0.00001 0.00064 0.00274 107 2PZ 0.00020 -0.00114 -0.00016 -0.00600 -0.00140 108 3S -0.00064 0.00123 -0.00085 -0.00509 -0.00410 109 3PX 0.00043 0.00032 0.00029 0.01119 0.00233 110 3PY -0.00030 -0.00041 -0.00021 0.00208 0.00432 111 3PZ 0.00005 -0.00085 0.00039 0.00122 0.00095 112 4XX 0.00009 -0.00022 -0.00002 -0.00034 -0.00178 113 4YY 0.00004 0.00010 -0.00001 0.00047 0.00151 114 4ZZ -0.00009 0.00003 0.00002 0.00009 0.00060 115 4XY -0.00007 0.00008 0.00006 0.00031 0.00357 116 4XZ -0.00008 -0.00017 0.00001 -0.00043 0.00000 117 4YZ 0.00007 -0.00005 -0.00002 -0.00049 0.00035 118 14 C 1S 0.00002 0.00002 -0.00003 0.00015 -0.00250 119 2S -0.00011 -0.00052 0.00009 -0.00048 0.00459 120 2PX 0.00055 -0.00006 0.00004 -0.00037 -0.00038 121 2PY 0.00016 0.00002 -0.00003 -0.00023 -0.00598 122 2PZ -0.00040 0.00033 -0.00005 0.00081 -0.00843 123 3S 0.00011 0.00037 0.00016 -0.00315 0.01500 124 3PX 0.00036 -0.00035 0.00008 -0.00049 -0.00085 125 3PY 0.00016 0.00044 0.00026 0.00400 0.00447 126 3PZ -0.00032 0.00029 -0.00016 0.00162 -0.00468 127 4XX 0.00000 -0.00002 -0.00001 -0.00043 -0.00032 128 4YY 0.00001 -0.00007 0.00001 -0.00005 -0.00042 129 4ZZ -0.00001 0.00004 0.00001 0.00030 0.00029 130 4XY -0.00001 -0.00001 -0.00001 -0.00041 0.00014 131 4XZ -0.00003 -0.00004 0.00001 -0.00004 0.00015 132 4YZ -0.00001 0.00001 0.00001 0.00022 -0.00013 133 15 C 1S -0.00003 0.00015 0.00000 0.00006 0.00091 134 2S 0.00002 -0.00060 0.00007 -0.00038 -0.00303 135 2PX 0.00037 0.00026 -0.00013 -0.00408 0.00469 136 2PY -0.00011 -0.00003 0.00001 0.00046 0.00238 137 2PZ -0.00036 0.00056 0.00010 0.00428 0.00094 138 3S 0.00024 -0.00055 -0.00015 -0.00116 -0.00793 139 3PX 0.00016 -0.00026 -0.00008 -0.00338 0.00215 140 3PY 0.00013 0.00000 0.00021 0.00216 0.00715 141 3PZ -0.00025 0.00025 0.00006 0.00291 -0.00104 142 4XX 0.00001 -0.00004 0.00001 -0.00003 0.00002 143 4YY 0.00000 -0.00005 0.00000 -0.00001 0.00003 144 4ZZ -0.00002 0.00004 0.00000 -0.00002 -0.00001 145 4XY -0.00001 0.00003 0.00000 0.00002 0.00015 146 4XZ -0.00002 -0.00004 0.00000 -0.00010 -0.00020 147 4YZ 0.00001 0.00002 0.00000 -0.00003 0.00045 148 16 C 1S 0.00029 0.00007 0.00005 0.00092 0.00199 149 2S -0.00051 -0.00044 -0.00007 -0.00307 -0.00613 150 2PX 0.00038 0.00105 -0.00009 0.00210 0.00549 151 2PY 0.00028 0.00009 -0.00003 0.00300 0.00822 152 2PZ 0.00035 -0.00131 0.00017 0.00290 0.00229 153 3S -0.00037 0.00028 -0.00004 -0.00232 -0.00413 154 3PX -0.00005 0.00033 -0.00022 -0.00174 -0.00246 155 3PY 0.00012 0.00039 -0.00002 -0.00054 0.00149 156 3PZ -0.00020 -0.00054 0.00003 0.00017 -0.00295 157 4XX 0.00005 -0.00028 0.00001 -0.00052 -0.00005 158 4YY 0.00005 0.00012 -0.00001 0.00028 0.00052 159 4ZZ -0.00005 0.00015 0.00001 0.00000 -0.00071 160 4XY 0.00003 -0.00014 0.00001 0.00009 0.00059 161 4XZ -0.00004 -0.00003 0.00000 -0.00024 -0.00067 162 4YZ -0.00005 0.00029 -0.00001 -0.00001 -0.00008 163 17 C 1S -0.00057 0.00054 0.00003 -0.00141 -0.00292 164 2S 0.00064 -0.00087 0.00002 0.00205 0.00285 165 2PX -0.00144 0.00666 0.00020 0.00386 -0.00232 166 2PY -0.00182 -0.00086 0.00044 -0.01008 -0.02354 167 2PZ 0.00107 -0.00511 -0.00041 -0.00367 0.00594 168 3S 0.00087 -0.00250 0.00053 0.01536 0.02470 169 3PX -0.00091 0.00542 -0.00029 0.00113 -0.00447 170 3PY -0.00113 -0.00124 -0.00018 -0.01346 -0.02549 171 3PZ 0.00057 -0.00391 -0.00021 -0.00344 0.00375 172 4XX -0.00002 0.00006 -0.00005 0.00023 0.00050 173 4YY 0.00002 -0.00007 0.00001 -0.00010 -0.00003 174 4ZZ -0.00004 0.00005 0.00007 -0.00011 -0.00064 175 4XY 0.00003 -0.00021 -0.00008 -0.00121 -0.00159 176 4XZ -0.00007 -0.00006 0.00002 -0.00047 -0.00138 177 4YZ -0.00004 0.00001 0.00004 0.00035 0.00124 178 18 H 1S -0.00073 -0.00271 0.00057 -0.00922 -0.00545 179 2S -0.00044 -0.00138 0.00078 -0.00585 0.00116 180 19 H 1S -0.00007 -0.00003 0.00005 0.00036 0.00055 181 2S -0.00008 0.00012 0.00004 0.00171 -0.00139 182 20 H 1S -0.00004 0.00015 0.00001 0.00008 0.00246 183 2S -0.00013 0.00042 -0.00003 -0.00067 0.00261 184 21 H 1S -0.00048 0.00061 0.00030 -0.00155 -0.01075 185 2S -0.00034 0.00094 0.00022 -0.00185 -0.01070 186 22 O 1S -0.00007 0.00000 -0.00002 -0.00040 -0.00039 187 2S 0.00016 0.00014 0.00000 0.00113 0.00158 188 2PX 0.00004 -0.00175 0.00022 -0.00138 0.00357 189 2PY -0.00011 0.00025 0.00008 -0.00222 -0.00789 190 2PZ -0.00042 0.00241 -0.00003 -0.00144 -0.00425 191 3S 0.00013 -0.00055 0.00010 0.00208 -0.00011 192 3PX 0.00003 -0.00142 0.00019 -0.00090 0.00257 193 3PY -0.00008 0.00047 0.00001 -0.00193 -0.00485 194 3PZ -0.00032 0.00194 -0.00005 -0.00144 -0.00338 195 4XX 0.00001 0.00003 0.00000 -0.00010 -0.00004 196 4YY 0.00000 0.00000 -0.00001 0.00014 0.00054 197 4ZZ 0.00001 0.00007 0.00000 0.00000 -0.00001 198 4XY -0.00002 0.00004 -0.00001 -0.00001 -0.00031 199 4XZ 0.00000 -0.00003 0.00001 -0.00001 -0.00001 200 4YZ 0.00001 -0.00006 0.00000 -0.00005 0.00002 201 23 O 1S -0.00009 0.00001 -0.00004 0.00088 -0.00261 202 2S 0.00030 0.00018 0.00007 -0.00275 0.00490 203 2PX 0.00107 -0.00080 -0.00044 0.00387 -0.04710 204 2PY 0.00035 0.00058 -0.00016 0.00241 -0.00930 205 2PZ -0.00078 -0.00055 0.00023 0.00152 -0.01198 206 3S 0.00015 -0.00090 0.00020 0.00001 0.01212 207 3PX 0.00069 -0.00072 -0.00036 -0.00023 -0.03570 208 3PY 0.00015 0.00000 -0.00008 0.00145 -0.00562 209 3PZ -0.00061 -0.00021 0.00011 0.00167 -0.00768 210 4XX 0.00002 0.00004 0.00000 0.00006 0.00025 211 4YY 0.00001 0.00008 -0.00002 -0.00026 -0.00122 212 4ZZ -0.00001 0.00006 -0.00002 -0.00034 -0.00049 213 4XY 0.00008 0.00001 -0.00002 0.00039 -0.00175 214 4XZ 0.00000 -0.00002 0.00000 -0.00004 -0.00022 215 4YZ -0.00003 -0.00005 0.00000 -0.00021 -0.00057 71 72 73 74 75 71 10 C 1S 2.05355 72 2S -0.06413 0.33134 73 2PX 0.00139 -0.00481 0.34548 74 2PY 0.00025 0.00328 0.00294 0.41951 75 2PZ -0.00207 -0.00494 0.03444 -0.00853 0.40636 76 3S -0.16686 0.25604 0.01046 -0.00881 0.05249 77 3PX -0.00105 0.00294 0.21783 0.00999 -0.02352 78 3PY 0.00347 -0.01854 0.01867 0.13634 0.00934 79 3PZ -0.00653 0.02691 -0.02978 -0.00162 0.11701 80 4XX -0.01193 -0.01399 -0.00287 -0.00191 0.00174 81 4YY -0.01738 -0.00239 0.00198 0.01285 0.00773 82 4ZZ -0.01815 -0.00115 0.00398 -0.01517 -0.00415 83 4XY 0.00124 -0.00219 0.00355 0.00285 -0.00718 84 4XZ -0.00282 0.00610 -0.00579 -0.00644 0.00380 85 4YZ 0.00254 -0.00474 -0.00780 0.00405 -0.01410 86 11 H 1S -0.06265 0.11706 0.07924 -0.15424 0.20138 87 2S -0.01329 0.02371 0.07019 -0.12879 0.17560 88 12 C 1S -0.00122 0.00147 0.00780 -0.00006 -0.00417 89 2S 0.00134 -0.00338 -0.02012 0.00164 0.01308 90 2PX -0.00192 0.01045 0.00172 -0.00023 -0.00998 91 2PY -0.00052 0.00311 0.01089 0.00068 -0.00415 92 2PZ 0.00489 -0.01754 -0.00487 0.00610 0.02127 93 3S 0.00101 -0.00102 -0.04087 -0.00493 0.00987 94 3PX -0.00364 0.01386 0.01006 -0.00167 -0.02543 95 3PY -0.00106 0.00559 0.02334 -0.00178 -0.01581 96 3PZ 0.00375 -0.00824 -0.00626 0.00162 0.00353 97 4XX 0.00003 -0.00080 0.00316 0.00050 0.00071 98 4YY -0.00028 0.00016 -0.00166 0.00034 0.00110 99 4ZZ -0.00079 0.00083 0.00163 -0.00014 -0.00183 100 4XY -0.00004 -0.00008 0.00547 0.00064 -0.00156 101 4XZ 0.00001 0.00006 -0.00564 0.00027 0.00235 102 4YZ -0.00017 0.00045 -0.00350 -0.00022 0.00090 103 13 C 1S -0.00144 0.00057 0.00505 -0.00048 -0.00280 104 2S 0.00186 -0.00311 -0.02017 0.00200 0.00779 105 2PX -0.00260 0.00899 0.01802 -0.00263 -0.01445 106 2PY 0.00070 -0.00406 -0.01264 -0.00033 0.00576 107 2PZ 0.00091 -0.00564 0.00397 0.00264 -0.00470 108 3S 0.00558 -0.00772 0.01535 -0.00409 0.01049 109 3PX -0.00231 0.00404 0.00009 -0.00317 -0.00310 110 3PY 0.00034 -0.00210 -0.02408 0.00573 0.01432 111 3PZ 0.00156 -0.00273 -0.00829 0.00007 -0.00040 112 4XX -0.00044 -0.00012 0.00075 -0.00001 0.00045 113 4YY -0.00040 0.00015 0.00002 0.00029 0.00025 114 4ZZ -0.00054 0.00037 -0.00041 -0.00041 -0.00045 115 4XY -0.00001 0.00058 -0.00048 0.00001 -0.00084 116 4XZ 0.00042 -0.00053 -0.00305 0.00042 0.00090 117 4YZ -0.00018 -0.00009 0.00152 -0.00023 -0.00072 118 14 C 1S -0.00067 0.00024 0.00072 -0.00011 0.00114 119 2S 0.00082 -0.00194 -0.01020 -0.00014 -0.00179 120 2PX -0.00128 0.00917 0.00235 0.00074 0.00499 121 2PY -0.00017 0.00086 -0.00184 -0.00249 0.00284 122 2PZ 0.00110 -0.00685 -0.00118 0.00009 -0.00084 123 3S 0.00016 0.00323 0.01654 -0.00016 -0.01372 124 3PX -0.00129 0.00500 -0.00606 0.00068 0.00402 125 3PY 0.00082 0.00108 0.00330 -0.00212 -0.00245 126 3PZ 0.00068 -0.00537 -0.00141 -0.00067 0.00287 127 4XX -0.00044 0.00008 0.00030 0.00012 0.00021 128 4YY -0.00015 -0.00001 -0.00133 0.00000 -0.00006 129 4ZZ -0.00030 0.00025 -0.00070 -0.00012 -0.00006 130 4XY -0.00005 0.00024 0.00029 -0.00004 0.00024 131 4XZ 0.00018 -0.00037 -0.00153 0.00020 0.00007 132 4YZ 0.00012 -0.00024 -0.00019 0.00009 -0.00038 133 15 C 1S -0.00018 0.00045 0.00191 0.00029 -0.00069 134 2S 0.00048 -0.00070 -0.01007 -0.00138 0.00232 135 2PX -0.00155 0.00810 0.01233 0.00181 0.00342 136 2PY -0.00020 -0.00038 0.00054 0.00174 0.00091 137 2PZ 0.00079 -0.00594 -0.00386 -0.00045 -0.00552 138 3S 0.00058 -0.00392 0.00214 0.00204 0.00528 139 3PX -0.00166 0.00674 -0.00133 -0.00011 0.00456 140 3PY -0.00047 0.00165 -0.00125 0.00017 -0.00277 141 3PZ 0.00050 -0.00322 -0.00643 -0.00154 -0.00474 142 4XX -0.00004 0.00005 -0.00041 0.00012 -0.00005 143 4YY -0.00001 -0.00004 -0.00108 -0.00002 0.00029 144 4ZZ -0.00002 0.00007 0.00052 0.00003 -0.00024 145 4XY -0.00003 -0.00028 0.00043 0.00011 -0.00037 146 4XZ 0.00001 -0.00010 -0.00082 0.00000 0.00016 147 4YZ -0.00002 0.00033 0.00030 -0.00010 -0.00012 148 16 C 1S 0.00026 0.00057 0.00155 0.00041 -0.00025 149 2S 0.00003 -0.00071 -0.00532 0.00008 0.00135 150 2PX 0.00032 -0.00017 0.02102 0.00288 -0.00300 151 2PY -0.00025 -0.00070 -0.00101 0.00120 0.00154 152 2PZ 0.00027 -0.00099 -0.02517 -0.00181 0.00753 153 3S -0.00184 0.00456 -0.00100 -0.01003 -0.01319 154 3PX 0.00147 -0.00215 0.00841 0.00148 0.00252 155 3PY 0.00386 -0.00563 0.01535 -0.00191 -0.00205 156 3PZ 0.00010 -0.00101 -0.01439 -0.00095 0.00670 157 4XX 0.00006 0.00027 -0.00348 -0.00021 0.00127 158 4YY 0.00011 0.00022 0.00131 0.00029 -0.00070 159 4ZZ 0.00020 -0.00028 0.00224 0.00015 -0.00118 160 4XY 0.00002 -0.00025 -0.00276 -0.00023 0.00045 161 4XZ -0.00008 0.00009 -0.00052 0.00008 0.00029 162 4YZ -0.00009 0.00045 0.00384 0.00030 -0.00113 163 17 C 1S -0.00071 0.00122 0.00843 0.00103 -0.00464 164 2S 0.00013 0.00022 -0.01894 -0.00062 0.00689 165 2PX -0.00149 0.00521 0.08501 0.00744 -0.03493 166 2PY -0.00043 -0.00150 -0.00522 -0.00123 -0.00061 167 2PZ 0.00056 -0.00145 -0.07282 -0.00588 0.02720 168 3S 0.00626 -0.01339 -0.03551 -0.00476 0.03416 169 3PX 0.00055 -0.00134 0.08382 0.01025 -0.02323 170 3PY -0.00176 0.00238 -0.01663 0.00148 0.00437 171 3PZ 0.00212 -0.00547 -0.05243 -0.00334 0.02726 172 4XX -0.00015 0.00036 0.00045 -0.00025 -0.00024 173 4YY -0.00018 0.00026 -0.00095 0.00052 0.00027 174 4ZZ -0.00030 0.00032 0.00076 0.00011 -0.00104 175 4XY 0.00011 -0.00063 0.00000 -0.00016 0.00046 176 4XZ -0.00015 0.00009 -0.00128 0.00055 0.00032 177 4YZ -0.00013 0.00075 -0.00125 -0.00056 -0.00055 178 18 H 1S -0.00194 0.00573 -0.01500 -0.00311 -0.00286 179 2S -0.00245 0.00864 -0.00701 -0.00132 -0.01276 180 19 H 1S 0.00051 -0.00056 -0.00318 0.00123 0.00013 181 2S 0.00044 -0.00029 -0.00247 0.00073 0.00250 182 20 H 1S -0.00013 0.00019 0.00113 0.00071 -0.00055 183 2S -0.00008 -0.00015 0.00639 0.00131 -0.00236 184 21 H 1S 0.00031 -0.00206 0.01106 0.00196 -0.00340 185 2S 0.00043 -0.00323 0.01874 0.00562 -0.00475 186 22 O 1S 0.00009 0.00004 0.00058 -0.00026 -0.00030 187 2S 0.00046 -0.00094 0.00178 -0.00031 -0.00044 188 2PX 0.00046 -0.00234 -0.03085 -0.00430 0.00641 189 2PY 0.00019 0.00120 0.00654 -0.00088 -0.00231 190 2PZ -0.00115 0.00362 0.03456 0.00467 -0.00914 191 3S -0.00315 0.00322 -0.01706 0.00510 0.00701 192 3PX 0.00024 -0.00182 -0.02464 -0.00382 0.00451 193 3PY 0.00087 0.00006 0.01075 -0.00209 -0.00437 194 3PZ -0.00100 0.00316 0.02876 0.00377 -0.00827 195 4XX 0.00024 -0.00010 0.00093 -0.00037 -0.00040 196 4YY 0.00017 -0.00035 0.00044 -0.00018 0.00006 197 4ZZ 0.00029 -0.00025 0.00164 -0.00042 -0.00067 198 4XY -0.00002 0.00009 0.00056 0.00013 -0.00008 199 4XZ -0.00001 -0.00002 -0.00032 0.00008 0.00013 200 4YZ 0.00007 -0.00019 -0.00062 -0.00018 0.00017 201 23 O 1S 0.00008 -0.00042 0.00089 -0.00047 -0.00006 202 2S 0.00050 0.00099 0.00313 0.00003 -0.00186 203 2PX -0.00105 -0.00279 0.00945 -0.00491 0.00300 204 2PY 0.00007 0.00267 0.00753 0.00040 -0.00177 205 2PZ 0.00186 -0.00134 -0.02236 0.00510 0.00692 206 3S -0.00226 0.00115 -0.02866 0.00722 0.00975 207 3PX 0.00032 -0.00332 0.00678 -0.00321 0.00226 208 3PY -0.00071 0.00163 -0.00480 0.00228 0.00136 209 3PZ 0.00063 -0.00009 -0.01591 0.00356 0.00622 210 4XX 0.00032 -0.00025 0.00192 -0.00033 -0.00062 211 4YY 0.00034 0.00017 0.00124 -0.00025 -0.00081 212 4ZZ 0.00028 -0.00015 0.00161 -0.00049 -0.00069 213 4XY -0.00001 0.00005 0.00120 -0.00026 -0.00037 214 4XZ 0.00004 -0.00004 -0.00021 0.00011 0.00000 215 4YZ 0.00003 -0.00019 -0.00078 0.00037 0.00023 76 77 78 79 80 76 3S 0.27302 77 3PX 0.00206 0.14496 78 3PY -0.00010 0.01394 0.05524 79 3PZ 0.01517 -0.03052 -0.00520 0.05197 80 4XX -0.01044 -0.00211 0.00000 0.00009 0.00081 81 4YY -0.00158 0.00035 0.00349 0.00162 0.00014 82 4ZZ 0.00070 0.00282 -0.00373 -0.00181 0.00013 83 4XY -0.00612 0.00320 -0.00001 -0.00113 0.00014 84 4XZ 0.00391 -0.00372 -0.00239 0.00265 -0.00009 85 4YZ -0.00749 -0.00313 0.00042 -0.00266 0.00021 86 11 H 1S 0.13192 0.02729 -0.04524 0.05715 -0.00407 87 2S 0.05961 0.02334 -0.02891 0.03770 -0.00068 88 12 C 1S -0.00205 0.00777 0.00161 -0.00184 -0.00055 89 2S -0.00287 -0.01812 -0.00165 0.00854 0.00065 90 2PX -0.03610 0.01456 -0.00331 0.00683 0.00146 91 2PY -0.01226 0.01614 0.00182 0.00424 0.00037 92 2PZ 0.00480 -0.01044 0.01676 0.00834 -0.00052 93 3S 0.02344 -0.03343 0.00409 0.00323 0.00005 94 3PX -0.02850 0.01786 -0.00648 0.00110 0.00062 95 3PY 0.01173 0.01978 0.00428 -0.01069 -0.00033 96 3PZ 0.01373 -0.00842 0.00894 -0.00020 -0.00075 97 4XX -0.00010 0.00205 0.00084 -0.00028 -0.00006 98 4YY -0.00093 -0.00093 -0.00014 0.00100 0.00005 99 4ZZ 0.00165 0.00097 -0.00026 -0.00148 -0.00005 100 4XY 0.00126 0.00391 0.00067 -0.00232 -0.00007 101 4XZ -0.00030 -0.00405 -0.00061 0.00146 0.00013 102 4YZ 0.00032 -0.00288 -0.00123 0.00100 0.00003 103 13 C 1S 0.01616 0.00431 0.00231 -0.00811 -0.00101 104 2S -0.01799 -0.01440 -0.00205 0.01197 0.00132 105 2PX 0.01130 0.01529 -0.00805 -0.00446 -0.00095 106 2PY 0.01251 -0.00995 0.00195 -0.00264 0.00036 107 2PZ 0.01535 -0.00034 0.00252 -0.01759 0.00053 108 3S -0.00790 0.00832 0.00053 0.00184 0.00069 109 3PX 0.00149 0.00169 -0.00384 0.00276 -0.00050 110 3PY -0.00783 -0.01633 0.00022 0.00986 0.00069 111 3PZ -0.00160 -0.00653 0.00035 -0.00336 0.00041 112 4XX 0.00273 -0.00036 0.00042 -0.00056 -0.00017 113 4YY -0.00191 0.00026 -0.00007 0.00064 0.00006 114 4ZZ 0.00106 0.00016 -0.00023 -0.00073 0.00004 115 4XY -0.00167 -0.00034 -0.00077 0.00012 0.00008 116 4XZ -0.00071 -0.00236 -0.00020 0.00053 0.00009 117 4YZ 0.00187 0.00117 0.00006 -0.00040 -0.00006 118 14 C 1S 0.00441 0.00232 0.00122 0.00012 -0.00070 119 2S -0.00118 -0.00797 -0.00080 -0.00125 0.00075 120 2PX -0.01190 -0.00610 -0.00306 0.01301 -0.00153 121 2PY -0.00402 -0.00167 0.00115 0.00514 -0.00004 122 2PZ -0.00267 0.00726 0.00787 -0.00562 0.00064 123 3S 0.00625 0.01183 -0.00131 -0.00689 0.00007 124 3PX -0.00828 -0.00951 -0.00274 0.00940 -0.00077 125 3PY -0.00464 0.00338 0.00005 0.00277 -0.00017 126 3PZ -0.00215 0.00423 0.00445 -0.00241 0.00065 127 4XX 0.00045 0.00012 0.00023 -0.00015 -0.00001 128 4YY -0.00029 -0.00089 -0.00007 0.00023 0.00002 129 4ZZ -0.00029 -0.00035 -0.00025 0.00037 -0.00001 130 4XY -0.00001 -0.00023 -0.00026 0.00013 -0.00002 131 4XZ -0.00044 -0.00103 0.00007 0.00012 0.00006 132 4YZ 0.00042 0.00023 -0.00008 -0.00033 0.00004 133 15 C 1S -0.00052 0.00110 -0.00142 -0.00139 -0.00016 134 2S -0.00039 -0.00698 0.00125 0.00302 0.00027 135 2PX -0.00414 0.00019 -0.00361 0.00625 -0.00139 136 2PY 0.00409 0.00168 0.00053 -0.00125 -0.00025 137 2PZ 0.00251 0.00630 0.00178 -0.00716 0.00083 138 3S -0.00497 -0.00006 0.00201 0.00179 0.00043 139 3PX 0.00069 -0.00695 -0.00270 0.00523 -0.00087 140 3PY 0.00022 0.00096 -0.00022 0.00115 -0.00014 141 3PZ 0.00306 0.00194 0.00093 -0.00462 0.00055 142 4XX 0.00020 -0.00031 -0.00017 0.00001 0.00000 143 4YY 0.00026 -0.00075 0.00008 0.00012 0.00002 144 4ZZ 0.00025 0.00039 0.00007 -0.00037 -0.00004 145 4XY 0.00038 0.00066 0.00014 -0.00059 0.00005 146 4XZ 0.00039 -0.00056 0.00004 -0.00006 0.00001 147 4YZ -0.00001 -0.00008 -0.00041 0.00015 -0.00003 148 16 C 1S -0.01011 0.00148 -0.00247 0.00419 0.00025 149 2S 0.01398 -0.00494 0.00264 -0.00570 -0.00021 150 2PX -0.01175 0.01655 0.00431 0.00105 -0.00027 151 2PY 0.00151 0.00152 0.00285 0.00150 -0.00019 152 2PZ -0.00530 -0.01676 -0.00215 0.01205 0.00057 153 3S 0.00438 -0.00078 -0.00562 -0.00559 -0.00021 154 3PX -0.00363 0.00589 0.00265 0.00009 -0.00010 155 3PY -0.01005 0.00955 -0.00178 -0.00040 0.00022 156 3PZ 0.00328 -0.01018 0.00048 0.00388 0.00025 157 4XX -0.00112 -0.00312 -0.00103 0.00193 0.00001 158 4YY -0.00002 0.00120 0.00040 -0.00030 -0.00002 159 4ZZ 0.00012 0.00213 0.00051 -0.00122 0.00001 160 4XY -0.00111 -0.00174 -0.00075 0.00105 0.00007 161 4XZ 0.00096 -0.00039 0.00030 -0.00018 -0.00003 162 4YZ 0.00040 0.00278 0.00037 -0.00103 -0.00008 163 17 C 1S 0.00329 0.00535 0.00050 -0.00545 -0.00032 164 2S -0.00104 -0.01141 -0.00033 0.00756 0.00046 165 2PX 0.01300 0.06740 0.01282 -0.03793 -0.00083 166 2PY 0.01907 -0.00859 0.00154 -0.00806 -0.00064 167 2PZ -0.01105 -0.06151 -0.01821 0.02935 0.00080 168 3S -0.02484 -0.02653 -0.00833 0.02356 0.00125 169 3PX 0.00946 0.06246 0.01442 -0.03100 -0.00076 170 3PY 0.02373 -0.01401 0.00542 -0.00324 -0.00042 171 3PZ -0.00869 -0.04432 -0.01130 0.02218 0.00083 172 4XX -0.00125 0.00021 -0.00058 0.00041 -0.00002 173 4YY 0.00059 -0.00056 0.00037 0.00017 0.00001 174 4ZZ 0.00069 0.00057 0.00016 -0.00066 -0.00003 175 4XY 0.00178 -0.00059 0.00016 -0.00075 -0.00008 176 4XZ 0.00221 -0.00077 0.00080 -0.00069 -0.00003 177 4YZ -0.00037 -0.00083 -0.00114 0.00012 0.00005 178 18 H 1S 0.00904 -0.01417 -0.01077 -0.00319 0.00018 179 2S 0.01012 -0.00619 -0.00972 -0.00649 -0.00005 180 19 H 1S -0.00536 -0.00194 0.00175 0.00094 0.00004 181 2S -0.00436 -0.00144 0.00225 0.00171 -0.00007 182 20 H 1S 0.00181 0.00153 -0.00030 -0.00098 -0.00012 183 2S 0.00192 0.00477 -0.00082 -0.00298 -0.00012 184 21 H 1S 0.00946 0.01036 0.00868 -0.00696 -0.00029 185 2S 0.00889 0.01460 0.00989 -0.00930 -0.00033 186 22 O 1S -0.00128 0.00031 -0.00079 0.00007 -0.00001 187 2S 0.00331 0.00128 0.00159 -0.00128 -0.00004 188 2PX -0.01997 -0.02068 -0.00977 0.01608 0.00073 189 2PY -0.00259 0.00229 -0.00248 -0.00064 0.00011 190 2PZ 0.00699 0.02473 0.00559 -0.00728 -0.00091 191 3S 0.01100 -0.01143 0.00403 0.00215 -0.00005 192 3PX -0.01323 -0.01671 -0.00773 0.01143 0.00057 193 3PY -0.00264 0.00604 -0.00175 -0.00199 0.00002 194 3PZ 0.00531 0.02053 0.00427 -0.00674 -0.00074 195 4XX -0.00051 0.00053 -0.00028 -0.00004 0.00001 196 4YY -0.00013 0.00035 0.00003 -0.00017 -0.00001 197 4ZZ -0.00076 0.00117 -0.00023 -0.00025 0.00001 198 4XY 0.00127 0.00033 0.00036 -0.00070 -0.00003 199 4XZ -0.00004 -0.00023 -0.00001 0.00008 0.00000 200 4YZ -0.00021 -0.00050 -0.00018 -0.00004 0.00003 201 23 O 1S 0.00257 0.00070 0.00022 -0.00037 -0.00008 202 2S -0.00912 0.00255 -0.00127 0.00120 0.00012 203 2PX 0.03975 0.00558 0.00487 -0.00944 -0.00183 204 2PY -0.01591 0.00769 -0.00238 0.01044 0.00002 205 2PZ -0.01535 -0.01975 -0.00043 -0.00288 0.00118 206 3S -0.00790 -0.01907 0.00026 0.00705 0.00055 207 3PX 0.02779 0.00373 0.00431 -0.00720 -0.00122 208 3PY -0.00745 -0.00156 -0.00056 0.00742 0.00009 209 3PZ -0.01178 -0.01391 -0.00063 -0.00042 0.00079 210 4XX 0.00014 0.00120 0.00008 -0.00062 -0.00003 211 4YY -0.00087 0.00104 -0.00023 0.00044 -0.00001 212 4ZZ 0.00051 0.00108 0.00000 -0.00080 -0.00002 213 4XY 0.00215 0.00085 0.00004 -0.00068 -0.00011 214 4XZ 0.00029 -0.00013 0.00003 0.00005 -0.00002 215 4YZ -0.00033 -0.00081 0.00007 -0.00052 0.00007 81 82 83 84 85 81 4YY 0.00114 82 4ZZ -0.00058 0.00117 83 4XY 0.00004 -0.00013 0.00072 84 4XZ -0.00022 0.00020 -0.00007 0.00063 85 4YZ -0.00011 -0.00016 0.00034 -0.00032 0.00146 86 11 H 1S -0.00137 0.00483 -0.00523 0.00571 -0.01296 87 2S -0.00079 0.00469 -0.00482 0.00392 -0.01150 88 12 C 1S -0.00015 -0.00041 0.00054 0.00043 -0.00011 89 2S 0.00008 -0.00025 -0.00073 -0.00067 0.00024 90 2PX 0.00150 -0.00241 0.00500 0.00495 -0.00175 91 2PY 0.00047 -0.00081 0.00089 0.00039 0.00013 92 2PZ -0.00103 0.00121 -0.00406 -0.00452 0.00103 93 3S -0.00174 0.00097 -0.00162 -0.00111 0.00132 94 3PX 0.00073 -0.00136 0.00466 0.00354 -0.00061 95 3PY -0.00061 0.00064 0.00071 0.00023 -0.00036 96 3PZ -0.00117 0.00107 -0.00283 -0.00322 0.00154 97 4XX 0.00003 0.00017 -0.00004 0.00000 -0.00010 98 4YY 0.00008 -0.00011 0.00000 0.00004 0.00002 99 4ZZ -0.00004 0.00003 -0.00001 -0.00004 -0.00001 100 4XY 0.00005 0.00009 -0.00004 -0.00006 0.00002 101 4XZ 0.00007 -0.00020 0.00001 0.00015 0.00000 102 4YZ -0.00002 -0.00005 0.00009 0.00007 0.00000 103 13 C 1S -0.00047 0.00002 0.00009 0.00001 0.00000 104 2S 0.00021 -0.00051 -0.00018 0.00032 0.00000 105 2PX 0.00059 0.00079 0.00118 0.00055 0.00017 106 2PY 0.00000 -0.00030 0.00022 0.00038 -0.00016 107 2PZ -0.00064 0.00014 -0.00154 -0.00114 0.00076 108 3S 0.00047 0.00007 -0.00052 -0.00028 -0.00108 109 3PX 0.00019 0.00039 0.00058 0.00033 0.00029 110 3PY 0.00068 -0.00081 -0.00031 0.00062 -0.00012 111 3PZ -0.00023 -0.00028 -0.00068 -0.00041 0.00069 112 4XX -0.00003 0.00017 -0.00022 -0.00027 0.00007 113 4YY 0.00005 -0.00005 0.00010 0.00010 -0.00005 114 4ZZ -0.00002 -0.00007 0.00013 0.00018 -0.00006 115 4XY 0.00006 -0.00006 0.00015 0.00020 -0.00001 116 4XZ 0.00003 -0.00007 0.00001 0.00007 0.00001 117 4YZ -0.00008 0.00007 -0.00021 -0.00019 0.00007 118 14 C 1S -0.00018 -0.00020 0.00008 -0.00002 -0.00018 119 2S 0.00003 -0.00011 -0.00028 0.00010 0.00036 120 2PX 0.00101 0.00124 0.00037 -0.00030 -0.00018 121 2PY 0.00004 0.00014 0.00019 -0.00003 -0.00024 122 2PZ -0.00086 -0.00120 0.00000 0.00030 -0.00011 123 3S -0.00041 0.00026 -0.00011 -0.00027 0.00043 124 3PX 0.00077 0.00071 -0.00010 -0.00029 0.00012 125 3PY -0.00007 0.00003 0.00011 -0.00009 0.00020 126 3PZ -0.00044 -0.00082 -0.00019 0.00024 -0.00021 127 4XX -0.00003 -0.00001 -0.00005 -0.00005 -0.00001 128 4YY 0.00000 -0.00001 -0.00003 0.00000 0.00003 129 4ZZ 0.00003 0.00000 0.00004 0.00006 -0.00001 130 4XY 0.00002 0.00006 -0.00005 -0.00003 0.00000 131 4XZ 0.00000 -0.00003 -0.00002 0.00002 0.00003 132 4YZ -0.00003 -0.00004 0.00000 0.00000 0.00003 133 15 C 1S -0.00004 0.00002 -0.00010 -0.00002 0.00007 134 2S -0.00003 -0.00006 -0.00025 0.00005 -0.00003 135 2PX 0.00084 0.00139 -0.00040 -0.00070 -0.00017 136 2PY -0.00006 -0.00022 -0.00007 0.00008 -0.00008 137 2PZ -0.00073 -0.00129 0.00020 0.00051 0.00035 138 3S 0.00036 -0.00023 0.00079 -0.00003 -0.00077 139 3PX 0.00048 0.00087 -0.00049 -0.00031 -0.00006 140 3PY -0.00008 -0.00024 -0.00013 -0.00003 0.00027 141 3PZ -0.00058 -0.00082 0.00021 0.00045 0.00040 142 4XX 0.00000 -0.00003 0.00001 -0.00002 0.00002 143 4YY 0.00000 -0.00002 -0.00004 0.00001 0.00001 144 4ZZ 0.00001 0.00003 -0.00004 0.00000 0.00000 145 4XY -0.00004 -0.00005 -0.00001 0.00000 0.00000 146 4XZ -0.00001 0.00000 -0.00006 0.00000 0.00001 147 4YZ 0.00004 0.00006 0.00000 0.00000 0.00001 148 16 C 1S 0.00018 -0.00004 0.00019 0.00004 -0.00005 149 2S -0.00022 0.00035 -0.00100 -0.00021 0.00024 150 2PX 0.00028 -0.00011 0.00076 -0.00004 -0.00072 151 2PY 0.00020 -0.00081 0.00072 0.00019 -0.00012 152 2PZ 0.00004 -0.00096 0.00061 0.00045 0.00007 153 3S -0.00059 0.00060 0.00072 0.00046 0.00063 154 3PX -0.00001 0.00019 -0.00014 -0.00018 -0.00037 155 3PY 0.00012 0.00001 0.00088 -0.00018 -0.00059 156 3PZ -0.00004 -0.00025 -0.00021 0.00029 0.00002 157 4XX -0.00001 -0.00002 0.00004 -0.00004 0.00002 158 4YY 0.00002 0.00000 0.00002 0.00000 0.00001 159 4ZZ -0.00002 0.00002 -0.00004 0.00001 -0.00001 160 4XY -0.00006 -0.00012 0.00005 -0.00002 0.00007 161 4XZ -0.00001 0.00005 -0.00015 -0.00002 0.00003 162 4YZ 0.00003 0.00014 -0.00012 -0.00001 0.00001 163 17 C 1S -0.00012 0.00008 0.00023 0.00017 -0.00007 164 2S 0.00005 -0.00028 -0.00067 -0.00027 0.00057 165 2PX 0.00037 0.00158 -0.00048 0.00086 -0.00064 166 2PY -0.00062 0.00104 -0.00119 -0.00036 0.00004 167 2PZ -0.00058 -0.00084 0.00030 -0.00082 0.00102 168 3S 0.00103 -0.00134 -0.00161 -0.00067 0.00046 169 3PX 0.00053 0.00153 -0.00028 0.00017 -0.00148 170 3PY -0.00095 0.00083 -0.00135 -0.00025 0.00032 171 3PZ -0.00007 -0.00107 0.00007 -0.00052 0.00014 172 4XX -0.00002 0.00006 0.00013 0.00008 -0.00002 173 4YY 0.00000 -0.00003 -0.00005 -0.00001 0.00006 174 4ZZ 0.00001 0.00000 0.00006 0.00002 -0.00005 175 4XY -0.00006 0.00014 -0.00031 -0.00022 0.00005 176 4XZ -0.00002 0.00002 -0.00026 -0.00006 0.00011 177 4YZ 0.00002 -0.00007 0.00021 0.00020 -0.00002 178 18 H 1S 0.00003 -0.00014 0.00058 0.00092 0.00003 179 2S -0.00013 -0.00027 0.00098 0.00083 0.00024 180 19 H 1S 0.00003 -0.00015 0.00008 0.00011 0.00005 181 2S 0.00005 -0.00016 0.00033 0.00023 -0.00016 182 20 H 1S -0.00001 -0.00004 -0.00022 -0.00004 0.00005 183 2S -0.00003 0.00015 -0.00028 -0.00011 0.00011 184 21 H 1S 0.00005 0.00031 -0.00098 -0.00031 -0.00011 185 2S 0.00021 0.00014 -0.00062 -0.00053 -0.00046 186 22 O 1S -0.00007 0.00003 -0.00001 0.00000 0.00002 187 2S 0.00014 -0.00012 0.00023 -0.00002 -0.00008 188 2PX -0.00069 -0.00112 0.00072 -0.00005 0.00040 189 2PY 0.00003 0.00087 -0.00055 -0.00012 -0.00004 190 2PZ 0.00021 0.00124 -0.00157 -0.00040 0.00015 191 3S 0.00026 -0.00028 -0.00098 0.00004 0.00034 192 3PX -0.00053 -0.00087 0.00054 -0.00004 0.00035 193 3PY -0.00003 0.00065 0.00002 -0.00008 -0.00012 194 3PZ 0.00016 0.00104 -0.00118 -0.00033 0.00013 195 4XX -0.00001 0.00003 0.00007 0.00000 -0.00002 196 4YY 0.00000 -0.00004 0.00005 -0.00001 -0.00003 197 4ZZ -0.00001 0.00003 0.00005 -0.00001 -0.00002 198 4XY 0.00002 0.00005 -0.00006 0.00001 0.00000 199 4XZ 0.00000 -0.00001 -0.00001 -0.00001 0.00000 200 4YZ -0.00001 -0.00002 0.00004 0.00000 -0.00001 201 23 O 1S 0.00002 -0.00002 -0.00004 -0.00008 0.00005 202 2S -0.00021 0.00012 0.00017 0.00009 -0.00015 203 2PX -0.00042 0.00162 -0.00163 -0.00229 0.00049 204 2PY 0.00030 0.00025 -0.00043 -0.00054 0.00019 205 2PZ 0.00057 -0.00080 0.00181 0.00158 -0.00040 206 3S 0.00013 -0.00075 -0.00014 0.00078 0.00012 207 3PX -0.00042 0.00110 -0.00134 -0.00183 0.00035 208 3PY 0.00019 -0.00006 -0.00043 -0.00022 0.00026 209 3PZ 0.00053 -0.00059 0.00151 0.00135 -0.00048 210 4XX -0.00002 0.00004 0.00001 -0.00006 0.00000 211 4YY -0.00001 0.00005 0.00000 -0.00005 0.00001 212 4ZZ -0.00003 0.00004 0.00005 -0.00001 -0.00003 213 4XY -0.00001 0.00009 -0.00003 -0.00009 0.00002 214 4XZ 0.00000 0.00000 -0.00001 -0.00001 0.00001 215 4YZ 0.00001 -0.00003 0.00002 0.00003 0.00000 86 87 88 89 90 86 11 H 1S 0.21459 87 2S 0.16044 0.14180 88 12 C 1S 0.00052 0.00035 2.05568 89 2S -0.00025 -0.00054 -0.05951 0.31928 90 2PX -0.00083 0.00010 -0.00296 0.00998 0.35917 91 2PY -0.00022 -0.00285 0.00291 -0.00011 -0.00507 92 2PZ 0.00071 0.00436 0.00372 -0.00840 0.03788 93 3S -0.00218 -0.00115 -0.23339 0.34054 0.01471 94 3PX -0.00585 -0.00752 0.00048 -0.00477 0.21732 95 3PY 0.00076 0.00144 -0.00472 -0.00241 0.00527 96 3PZ -0.00369 -0.00277 -0.01462 0.00448 -0.02884 97 4XX 0.00076 0.00104 -0.01278 -0.01075 0.00470 98 4YY 0.00000 -0.00023 -0.01643 -0.00195 -0.00161 99 4ZZ -0.00015 -0.00005 -0.01568 -0.00419 -0.00606 100 4XY 0.00009 0.00060 0.00032 -0.00080 -0.00272 101 4XZ -0.00016 -0.00029 -0.00386 0.00785 0.00423 102 4YZ -0.00009 -0.00075 -0.00249 0.00482 -0.00993 103 13 C 1S 0.00048 0.00108 0.01430 -0.03003 -0.04838 104 2S -0.00239 -0.00236 -0.03013 0.05492 0.10201 105 2PX 0.00079 -0.01012 0.04903 -0.09861 -0.08245 106 2PY -0.00049 0.00067 -0.03344 0.05880 0.11343 107 2PZ -0.00467 0.00537 0.03986 -0.07955 -0.16452 108 3S 0.00743 0.00911 0.01049 0.00990 0.08719 109 3PX 0.00081 -0.00499 -0.00683 -0.00251 0.01178 110 3PY -0.00061 -0.00064 0.00869 0.00755 0.03669 111 3PZ -0.00381 0.00097 -0.00530 0.00240 -0.02633 112 4XX 0.00036 0.00006 -0.00256 0.00356 -0.00820 113 4YY 0.00005 0.00016 0.00093 -0.00245 -0.00063 114 4ZZ 0.00011 0.00037 -0.00098 0.00037 0.00106 115 4XY -0.00035 -0.00042 0.00529 -0.00977 -0.00521 116 4XZ -0.00051 -0.00022 -0.00362 0.00645 0.00195 117 4YZ 0.00007 -0.00055 0.00555 -0.01060 -0.01504 118 14 C 1S 0.00075 0.00050 -0.00575 0.01187 0.01560 119 2S -0.00345 -0.00160 0.01226 -0.02551 -0.03726 120 2PX 0.00536 -0.00393 -0.01388 0.03172 0.02563 121 2PY 0.00207 -0.00049 -0.00747 0.01644 0.01992 122 2PZ -0.00256 0.00878 -0.01521 0.03357 0.04963 123 3S -0.00208 -0.00419 0.02143 -0.05706 -0.09145 124 3PX 0.00177 -0.00430 -0.00541 0.01685 0.01368 125 3PY 0.00008 -0.00221 -0.01024 0.01019 0.03680 126 3PZ -0.00013 0.00683 -0.00518 0.01523 0.03352 127 4XX 0.00017 0.00036 -0.00091 0.00172 0.00070 128 4YY -0.00030 -0.00027 0.00029 -0.00040 -0.00273 129 4ZZ -0.00001 -0.00027 -0.00065 0.00114 0.00501 130 4XY 0.00025 -0.00003 0.00047 -0.00098 -0.00243 131 4XZ -0.00046 -0.00016 -0.00070 0.00136 0.00314 132 4YZ -0.00036 -0.00031 0.00072 -0.00136 -0.00083 133 15 C 1S 0.00005 -0.00007 -0.00073 0.00097 0.00512 134 2S -0.00035 -0.00003 0.00029 -0.00166 -0.01359 135 2PX 0.00598 -0.00294 -0.00242 0.00756 -0.00859 136 2PY 0.00008 0.00143 -0.00158 0.00271 0.00622 137 2PZ -0.00538 0.00082 -0.00220 0.00498 0.03006 138 3S 0.00099 0.00360 0.00701 0.00150 -0.02422 139 3PX 0.00434 -0.00164 -0.00548 0.00816 -0.01209 140 3PY -0.00127 -0.00254 -0.00245 -0.00245 -0.00127 141 3PZ -0.00427 -0.00050 -0.00490 0.00588 0.02076 142 4XX -0.00017 -0.00022 -0.00017 0.00004 -0.00069 143 4YY -0.00005 -0.00002 0.00007 0.00003 -0.00094 144 4ZZ 0.00006 0.00016 -0.00003 -0.00017 0.00112 145 4XY -0.00022 0.00011 0.00038 -0.00097 -0.00074 146 4XZ -0.00008 0.00005 0.00017 -0.00024 -0.00008 147 4YZ 0.00012 -0.00037 0.00044 -0.00104 -0.00119 148 16 C 1S -0.00011 -0.00126 -0.00330 0.00758 0.00220 149 2S 0.00004 0.00225 0.00881 -0.01833 -0.01245 150 2PX 0.00184 0.00309 -0.00739 0.01899 0.01573 151 2PY -0.00036 -0.00171 -0.00944 0.02334 0.00378 152 2PZ -0.00162 -0.00368 -0.00832 0.01802 -0.00755 153 3S -0.00205 -0.00314 -0.00274 -0.01122 0.00367 154 3PX 0.00201 0.00357 0.00029 0.00379 0.01026 155 3PY 0.00070 0.00160 0.01161 -0.01308 -0.00392 156 3PZ 0.00068 0.00062 -0.00426 0.00969 0.00609 157 4XX -0.00006 -0.00085 0.00037 -0.00096 -0.00583 158 4YY -0.00011 -0.00016 -0.00186 0.00373 0.00206 159 4ZZ -0.00016 0.00054 0.00073 -0.00160 0.00273 160 4XY -0.00053 -0.00076 -0.00042 0.00085 -0.00194 161 4XZ 0.00012 0.00020 0.00047 -0.00110 -0.00046 162 4YZ 0.00037 0.00034 0.00040 -0.00045 0.00551 163 17 C 1S 0.00005 0.00107 0.01654 -0.03534 0.00991 164 2S -0.00102 -0.00301 -0.03534 0.06311 -0.01882 165 2PX 0.00226 0.01302 0.00992 -0.01883 0.14413 166 2PY 0.00027 0.00270 0.07771 -0.15751 -0.01410 167 2PZ -0.00315 -0.01412 -0.00848 0.01464 -0.08716 168 3S 0.00377 0.00011 0.03072 -0.01027 -0.05371 169 3PX 0.00501 0.01576 0.01140 -0.01593 0.09008 170 3PY 0.00062 0.00161 -0.00387 -0.01431 -0.01436 171 3PZ 0.00007 -0.00602 0.00404 0.00310 -0.06813 172 4XX 0.00012 -0.00012 0.00244 -0.00551 0.00273 173 4YY -0.00019 -0.00025 -0.00645 0.01086 -0.00006 174 4ZZ -0.00013 0.00005 0.00258 -0.00613 0.00015 175 4XY 0.00019 0.00042 0.00044 -0.00094 -0.01289 176 4XZ -0.00020 0.00011 0.00070 -0.00140 -0.00126 177 4YZ -0.00013 -0.00050 -0.00041 0.00058 -0.00039 178 18 H 1S -0.00134 -0.00342 -0.06040 0.11598 -0.09475 179 2S -0.00435 -0.00728 -0.01006 0.02367 -0.08516 180 19 H 1S -0.00109 0.00166 -0.00680 0.01425 0.02060 181 2S 0.00044 0.00290 -0.01485 0.02813 0.05278 182 20 H 1S -0.00014 -0.00043 0.00074 -0.00095 0.00063 183 2S -0.00033 -0.00046 0.00640 -0.01071 -0.00120 184 21 H 1S 0.00049 0.00452 0.01233 -0.02671 0.01146 185 2S -0.00016 0.00518 0.01577 -0.02923 0.02535 186 22 O 1S 0.00003 -0.00002 0.00116 -0.00274 -0.00069 187 2S 0.00001 0.00020 -0.00232 0.00537 0.00192 188 2PX -0.00414 -0.00748 0.00800 -0.01238 -0.02517 189 2PY 0.00131 0.00162 0.00740 -0.01880 0.00354 190 2PZ 0.00334 0.00217 0.00933 -0.01407 0.03717 191 3S -0.00032 -0.00066 -0.00879 0.01637 0.00290 192 3PX -0.00338 -0.00596 0.00578 -0.01009 -0.02276 193 3PY 0.00100 0.00128 0.00545 -0.01377 0.00371 194 3PZ 0.00243 0.00173 0.00745 -0.01231 0.02791 195 4XX 0.00006 -0.00002 0.00019 -0.00066 -0.00018 196 4YY 0.00004 0.00013 0.00025 -0.00010 -0.00052 197 4ZZ 0.00005 0.00011 0.00029 -0.00080 0.00060 198 4XY 0.00014 0.00026 0.00001 -0.00006 0.00080 199 4XZ -0.00004 -0.00002 0.00019 -0.00034 -0.00051 200 4YZ -0.00007 0.00006 -0.00008 -0.00001 -0.00143 201 23 O 1S 0.00021 -0.00054 -0.00276 0.00534 0.00291 202 2S -0.00021 0.00131 0.00590 -0.01292 -0.00992 203 2PX 0.00499 0.00044 -0.02537 0.04074 0.01512 204 2PY 0.00096 -0.00494 0.01300 -0.02148 -0.03279 205 2PZ -0.00449 0.00819 -0.02342 0.04809 0.06473 206 3S -0.00342 -0.00045 0.00880 -0.00217 0.00448 207 3PX 0.00305 0.00098 -0.01958 0.03353 0.00899 208 3PY -0.00075 -0.00400 0.00724 -0.00883 -0.01718 209 3PZ -0.00208 0.00592 -0.01823 0.03921 0.06154 210 4XX 0.00009 0.00020 -0.00062 -0.00021 -0.00120 211 4YY -0.00001 -0.00052 0.00006 -0.00096 -0.00011 212 4ZZ 0.00014 0.00033 -0.00069 -0.00019 -0.00036 213 4XY 0.00021 -0.00026 0.00004 -0.00052 -0.00154 214 4XZ -0.00008 -0.00021 -0.00002 0.00020 -0.00015 215 4YZ -0.00029 0.00050 0.00018 0.00004 -0.00203 91 92 93 94 95 91 2PY 0.42057 92 2PZ 0.00977 0.38844 93 3S -0.07885 0.06717 0.55225 94 3PX 0.00155 -0.02302 0.00103 0.14602 95 3PY 0.13043 -0.01740 0.01282 0.00733 0.07150 96 3PZ -0.01732 0.19501 0.07382 -0.03720 -0.01106 97 4XX -0.00542 0.00410 -0.00898 0.00229 -0.00089 98 4YY 0.01322 -0.00057 -0.00621 -0.00092 0.00199 99 4ZZ -0.01175 -0.00724 -0.00269 -0.00287 -0.00270 100 4XY 0.00300 -0.01060 -0.00210 -0.00018 0.00232 101 4XZ -0.00772 -0.00204 0.00806 0.00192 -0.00230 102 4YZ -0.00268 -0.01181 0.00550 -0.00461 -0.00064 103 13 C 1S 0.03622 -0.04281 0.02148 -0.00200 0.01944 104 2S -0.08129 0.09184 -0.00344 0.01793 -0.03211 105 2PX 0.11691 -0.16419 -0.13528 -0.03627 0.06600 106 2PY -0.06405 0.08366 0.11986 0.06382 0.01826 107 2PZ 0.08368 -0.06004 -0.11682 -0.09355 0.04990 108 3S -0.06264 0.07430 -0.04748 0.01688 -0.01979 109 3PX 0.01233 -0.02616 0.01864 0.01173 0.01055 110 3PY 0.02130 0.02425 -0.02519 0.00859 0.00082 111 3PZ 0.00809 0.01752 0.00538 -0.01651 0.00061 112 4XX -0.00661 0.00597 0.01387 -0.00442 -0.00077 113 4YY 0.01290 -0.00267 -0.00701 0.00040 0.00247 114 4ZZ -0.00253 -0.01043 0.00157 0.00298 0.00097 115 4XY 0.00362 -0.01263 -0.02525 -0.00198 0.00002 116 4XZ -0.00638 -0.00168 0.00724 0.00090 -0.00159 117 4YZ 0.00448 -0.00354 -0.02372 -0.01027 -0.00039 118 14 C 1S -0.00631 0.01455 0.02801 0.00959 -0.00597 119 2S 0.01338 -0.03214 -0.06313 -0.02522 0.00650 120 2PX -0.02104 0.04021 0.09762 0.02735 -0.02915 121 2PY -0.01616 0.02265 0.04056 0.00853 -0.01436 122 2PZ -0.01712 0.03254 0.09607 0.04226 -0.02710 123 3S 0.03599 -0.08714 -0.16550 -0.04540 0.00216 124 3PX -0.00917 0.03425 0.04211 0.00798 -0.01549 125 3PY -0.01372 0.03488 0.00279 0.02154 -0.01961 126 3PZ -0.00350 0.02090 0.02883 0.01956 -0.01373 127 4XX -0.00172 0.00479 0.00298 0.00012 -0.00080 128 4YY 0.00048 -0.00168 -0.00007 -0.00159 -0.00049 129 4ZZ -0.00083 0.00071 0.00151 0.00286 0.00000 130 4XY 0.00012 -0.00024 -0.00442 -0.00247 0.00037 131 4XZ -0.00141 0.00334 0.00138 0.00134 -0.00039 132 4YZ 0.00092 -0.00240 -0.00425 -0.00153 0.00134 133 15 C 1S 0.00244 0.00085 0.00023 0.00489 0.00124 134 2S -0.00595 0.00009 0.00994 -0.01033 0.00062 135 2PX 0.00494 0.02036 0.00246 -0.01076 -0.00718 136 2PY 0.00209 0.00776 0.01055 0.00717 0.01007 137 2PZ 0.01366 -0.01447 0.00272 0.01586 0.00566 138 3S -0.00664 -0.00652 0.05831 -0.01862 0.02815 139 3PX 0.00156 0.01268 0.00942 -0.00922 -0.00496 140 3PY 0.00848 0.00437 -0.02920 0.00114 -0.00257 141 3PZ 0.00883 -0.01398 0.01405 0.01302 0.00679 142 4XX -0.00066 0.00079 0.00029 -0.00034 -0.00036 143 4YY 0.00075 -0.00008 -0.00009 -0.00068 0.00035 144 4ZZ -0.00008 -0.00043 -0.00083 0.00049 -0.00012 145 4XY 0.00187 -0.00148 -0.00418 -0.00124 0.00117 146 4XZ -0.00059 0.00054 -0.00027 -0.00026 -0.00039 147 4YZ 0.00155 -0.00154 -0.00373 -0.00131 0.00137 148 16 C 1S 0.01401 0.00382 -0.01198 -0.00061 -0.00025 149 2S -0.03692 -0.00609 0.00043 -0.00813 -0.01059 150 2PX 0.03465 0.00840 0.01406 0.01174 0.00919 151 2PY 0.03552 0.00903 0.07422 0.00271 0.04309 152 2PZ 0.01198 0.01812 0.03480 0.00977 0.00217 153 3S -0.05526 -0.04140 0.01574 0.01215 -0.01291 154 3PX 0.00599 0.01607 -0.00106 0.00356 -0.00779 155 3PY -0.01758 -0.00215 -0.02642 -0.00171 -0.00920 156 3PZ 0.00286 0.01370 0.02457 0.00869 -0.00261 157 4XX -0.00457 0.00358 -0.00367 -0.00373 -0.00483 158 4YY 0.00969 -0.00004 0.00454 0.00108 0.00468 159 4ZZ -0.00168 -0.00254 -0.00364 0.00183 -0.00038 160 4XY 0.00171 0.00197 -0.00538 -0.00152 -0.00473 161 4XZ -0.00175 0.00053 -0.00241 -0.00040 -0.00147 162 4YZ 0.00266 -0.00284 -0.00843 0.00429 -0.00301 163 17 C 1S -0.07772 -0.00847 0.03071 0.01140 0.00386 164 2S 0.15752 0.01462 -0.01026 -0.01592 0.01432 165 2PX 0.01410 -0.08716 -0.05374 0.09008 0.01437 166 2PY -0.31930 0.01098 -0.13474 -0.01089 -0.11231 167 2PZ -0.01095 0.08462 0.04027 -0.06351 -0.02761 168 3S 0.13474 0.04023 -0.18418 -0.04215 -0.05175 169 3PX 0.01089 -0.06351 -0.04218 0.05806 0.01406 170 3PY -0.11230 0.02762 0.05177 -0.01405 -0.02163 171 3PZ -0.02133 0.05205 0.00532 -0.04913 -0.02923 172 4XX -0.00853 -0.00202 -0.00420 0.00209 -0.00213 173 4YY 0.00629 0.00002 0.01296 -0.00056 0.00333 174 4ZZ -0.01011 -0.00083 -0.00499 0.00066 -0.00297 175 4XY -0.00161 0.00037 -0.00016 -0.00859 -0.00058 176 4XZ -0.00196 0.00103 -0.00257 -0.00140 -0.00143 177 4YZ -0.00097 -0.01298 -0.00025 0.00126 0.00085 178 18 H 1S -0.13180 -0.21153 0.11213 -0.03926 -0.03217 179 2S -0.09674 -0.18160 -0.00281 -0.03305 -0.02221 180 19 H 1S -0.00869 0.01858 0.04516 0.02151 -0.01479 181 2S -0.02486 0.04347 0.08860 0.04110 -0.01265 182 20 H 1S 0.00861 -0.00274 -0.00770 -0.00382 0.00592 183 2S 0.00618 -0.01197 -0.04023 -0.00437 -0.00158 184 21 H 1S -0.03917 0.01264 -0.04698 0.00652 -0.02110 185 2S -0.06274 0.02819 -0.02019 0.01355 -0.01612 186 22 O 1S -0.00565 -0.00104 -0.00167 0.00161 -0.00194 187 2S 0.01222 0.00009 0.01150 -0.00229 0.00806 188 2PX -0.04466 0.01503 -0.11199 -0.01616 -0.09697 189 2PY -0.03075 -0.00740 -0.07059 0.00333 -0.03529 190 2PZ -0.00954 -0.02054 -0.09393 0.04199 -0.05297 191 3S 0.03909 0.01523 0.01264 -0.00546 0.01079 192 3PX -0.03663 0.00838 -0.07834 -0.01433 -0.06899 193 3PY -0.02576 -0.01012 -0.04089 0.00410 -0.02085 194 3PZ -0.00746 -0.01873 -0.07315 0.02972 -0.03760 195 4XX -0.00137 -0.00087 -0.00061 0.00012 -0.00017 196 4YY -0.00069 -0.00021 0.00289 -0.00032 0.00108 197 4ZZ -0.00120 -0.00122 -0.00255 0.00080 -0.00115 198 4XY 0.00065 -0.00073 0.00476 0.00048 0.00386 199 4XZ -0.00089 0.00037 -0.00040 -0.00051 -0.00042 200 4YZ -0.00020 0.00045 0.00242 -0.00206 0.00172 201 23 O 1S -0.01027 0.00120 0.00201 -0.00422 -0.00139 202 2S 0.02336 -0.00540 -0.02016 0.00454 -0.00300 203 2PX -0.06184 0.06339 0.26806 0.00927 0.03054 204 2PY 0.03617 -0.01804 -0.11169 -0.05170 -0.02309 205 2PZ -0.04729 0.00621 0.19642 0.05346 0.01924 206 3S 0.05466 0.01154 0.00363 0.01890 0.01020 207 3PX -0.05372 0.05602 0.19409 0.00359 0.01538 208 3PY 0.02915 -0.00298 -0.05636 -0.02919 -0.00974 209 3PZ -0.03921 0.00366 0.14705 0.04798 0.01175 210 4XX -0.00161 0.00019 0.00019 -0.00029 -0.00040 211 4YY -0.00124 -0.00044 -0.00637 -0.00270 -0.00204 212 4ZZ -0.00131 -0.00185 0.00279 0.00060 0.00085 213 4XY 0.00080 -0.00156 0.00856 -0.00029 0.00340 214 4XZ -0.00119 -0.00033 0.00066 -0.00015 -0.00030 215 4YZ 0.00037 -0.00164 0.00407 -0.00071 0.00185 96 97 98 99 100 96 3PZ 0.11600 97 4XX 0.00164 0.00093 98 4YY -0.00146 -0.00013 0.00091 99 4ZZ -0.00253 0.00020 -0.00025 0.00090 100 4XY -0.00485 -0.00012 0.00001 0.00025 0.00093 101 4XZ -0.00125 -0.00015 -0.00030 0.00016 -0.00018 102 4YZ -0.00387 -0.00037 -0.00011 0.00030 0.00036 103 13 C 1S 0.00470 -0.00240 0.00050 -0.00068 0.00402 104 2S 0.00731 0.00395 -0.00236 0.00029 -0.00797 105 2PX -0.07119 0.00421 0.00167 0.00028 0.00490 106 2PY 0.06106 0.00303 -0.00969 0.00009 -0.00037 107 2PZ -0.02875 -0.00344 0.00113 0.00747 0.00749 108 3S 0.00296 0.00431 -0.00247 0.00053 -0.00504 109 3PX -0.00367 0.00200 -0.00071 -0.00148 0.00040 110 3PY -0.00390 0.00088 0.00095 -0.00166 -0.00196 111 3PZ 0.00442 -0.00233 0.00046 0.00201 0.00169 112 4XX 0.00719 -0.00002 -0.00046 0.00006 0.00009 113 4YY -0.00313 -0.00022 0.00071 -0.00026 0.00010 114 4ZZ -0.00337 -0.00016 -0.00032 0.00030 0.00045 115 4XY -0.00877 -0.00003 0.00025 0.00047 0.00043 116 4XZ -0.00091 -0.00012 -0.00028 0.00018 -0.00003 117 4YZ -0.00046 0.00036 0.00022 0.00019 -0.00011 118 14 C 1S 0.00731 -0.00039 0.00028 -0.00093 -0.00051 119 2S -0.01697 0.00063 -0.00041 0.00206 0.00091 120 2PX 0.02460 0.00055 0.00211 -0.00549 -0.00208 121 2PY 0.00734 -0.00118 0.00089 -0.00198 -0.00084 122 2PZ 0.02495 -0.00423 0.00212 -0.00171 -0.00102 123 3S -0.03360 0.00109 -0.00022 0.00382 0.00279 124 3PX 0.01274 0.00077 0.00136 -0.00316 -0.00184 125 3PY 0.01593 0.00052 -0.00027 -0.00140 -0.00117 126 3PZ 0.00808 -0.00192 0.00127 -0.00069 -0.00095 127 4XX 0.00248 -0.00008 -0.00005 0.00003 -0.00011 128 4YY -0.00109 -0.00012 0.00017 0.00001 0.00001 129 4ZZ 0.00016 0.00020 -0.00008 -0.00016 -0.00015 130 4XY -0.00138 0.00010 -0.00002 0.00016 0.00010 131 4XZ 0.00144 0.00008 -0.00013 0.00000 -0.00014 132 4YZ -0.00175 0.00010 -0.00007 0.00020 0.00004 133 15 C 1S 0.00211 0.00009 0.00004 -0.00012 0.00046 134 2S -0.00037 -0.00038 -0.00002 -0.00005 -0.00115 135 2PX 0.00078 0.00173 0.00077 -0.00162 0.00110 136 2PY 0.00811 0.00077 -0.00106 0.00037 -0.00118 137 2PZ -0.00926 -0.00148 0.00026 0.00121 0.00109 138 3S -0.00553 -0.00135 -0.00021 0.00025 -0.00289 139 3PX 0.00276 0.00083 0.00043 -0.00093 0.00082 140 3PY 0.00437 0.00068 -0.00044 0.00008 -0.00150 141 3PZ -0.00466 -0.00089 -0.00006 0.00063 0.00078 142 4XX 0.00064 -0.00003 0.00002 0.00003 -0.00002 143 4YY 0.00006 0.00000 -0.00004 0.00003 -0.00005 144 4ZZ -0.00039 0.00008 0.00002 -0.00001 0.00015 145 4XY -0.00119 -0.00004 -0.00004 0.00018 0.00015 146 4XZ 0.00029 0.00001 0.00001 0.00001 0.00009 147 4YZ -0.00151 0.00015 -0.00003 0.00003 0.00011 148 16 C 1S -0.00402 -0.00022 -0.00058 -0.00048 -0.00146 149 2S 0.00426 0.00062 0.00103 0.00127 0.00306 150 2PX 0.00201 0.00028 -0.00161 -0.00123 -0.00261 151 2PY 0.00672 -0.00015 -0.00159 -0.00016 -0.00419 152 2PZ 0.01603 -0.00104 -0.00155 -0.00076 -0.00582 153 3S -0.01253 0.00056 -0.00024 0.00167 0.00285 154 3PX 0.00653 0.00030 -0.00005 -0.00063 0.00023 155 3PY -0.00438 0.00034 -0.00033 0.00095 -0.00143 156 3PZ 0.00963 -0.00050 -0.00010 -0.00055 -0.00105 157 4XX 0.00226 -0.00001 0.00004 0.00004 -0.00031 158 4YY -0.00093 -0.00015 0.00012 -0.00029 0.00001 159 4ZZ -0.00147 0.00005 -0.00003 0.00011 0.00007 160 4XY 0.00109 -0.00018 0.00022 0.00001 0.00013 161 4XZ 0.00043 0.00007 0.00013 0.00001 0.00008 162 4YZ -0.00287 0.00015 0.00023 -0.00009 0.00063 163 17 C 1S 0.00404 0.00244 -0.00645 0.00258 -0.00044 164 2S 0.00310 -0.00551 0.01086 -0.00613 0.00094 165 2PX -0.06814 0.00273 -0.00006 0.00015 0.01289 166 2PY 0.02134 0.00853 -0.00629 0.01011 -0.00161 167 2PZ 0.05206 -0.00203 0.00002 -0.00083 -0.00037 168 3S 0.00530 -0.00420 0.01296 -0.00499 0.00017 169 3PX -0.04914 0.00209 -0.00056 0.00066 0.00859 170 3PY 0.02923 0.00213 -0.00333 0.00297 -0.00059 171 3PZ 0.03310 -0.00146 0.00011 0.00010 -0.00195 172 4XX -0.00146 0.00038 -0.00037 0.00028 0.00008 173 4YY 0.00010 -0.00037 0.00003 -0.00025 -0.00002 174 4ZZ 0.00010 0.00028 -0.00025 0.00038 -0.00025 175 4XY 0.00195 -0.00008 0.00002 0.00025 0.00030 176 4XZ 0.00103 0.00004 0.00015 0.00004 0.00017 177 4YZ -0.00682 -0.00014 -0.00009 0.00025 0.00053 178 18 H 1S -0.08494 -0.00523 -0.00404 0.00768 0.00529 179 2S -0.07424 -0.00223 -0.00323 0.00734 0.00537 180 19 H 1S 0.01577 -0.00068 0.00080 -0.00163 -0.00111 181 2S 0.03017 -0.00038 -0.00050 -0.00223 -0.00171 182 20 H 1S -0.00548 0.00037 -0.00005 0.00042 0.00073 183 2S -0.01122 0.00072 -0.00002 0.00098 0.00224 184 21 H 1S 0.00997 0.00135 0.00186 0.00066 -0.00344 185 2S 0.01770 0.00221 -0.00094 0.00114 -0.00371 186 22 O 1S 0.00184 0.00016 0.00019 0.00015 0.00003 187 2S -0.00317 -0.00031 -0.00026 -0.00015 -0.00032 188 2PX 0.00949 -0.00021 -0.00024 0.00196 0.00027 189 2PY -0.01029 0.00031 0.00034 0.00000 0.00181 190 2PZ -0.01829 0.00221 -0.00003 0.00083 0.00367 191 3S 0.00326 -0.00095 0.00027 -0.00159 0.00053 192 3PX 0.00665 -0.00025 -0.00017 0.00171 0.00013 193 3PY -0.00902 0.00042 0.00000 0.00037 0.00095 194 3PZ -0.01614 0.00175 0.00008 0.00066 0.00324 195 4XX -0.00056 0.00002 0.00000 0.00004 -0.00005 196 4YY 0.00043 0.00004 -0.00004 0.00010 -0.00006 197 4ZZ -0.00081 0.00004 -0.00001 0.00006 0.00000 198 4XY -0.00031 0.00002 0.00003 -0.00004 0.00005 199 4XZ 0.00030 0.00001 -0.00001 0.00003 -0.00002 200 4YZ 0.00034 -0.00006 0.00004 -0.00001 0.00002 201 23 O 1S -0.00517 -0.00033 -0.00117 0.00000 0.00035 202 2S 0.00340 0.00089 0.00258 0.00040 -0.00061 203 2PX 0.08663 0.00461 -0.00725 -0.00261 -0.00087 204 2PY -0.05177 0.00097 0.00753 -0.00258 -0.00534 205 2PZ -0.01447 -0.00524 -0.00216 0.00372 0.00415 206 3S 0.01954 0.00005 0.00221 -0.00064 0.00034 207 3PX 0.06565 0.00287 -0.00505 -0.00163 -0.00112 208 3PY -0.02469 0.00028 0.00424 -0.00194 -0.00300 209 3PZ -0.01042 -0.00332 -0.00179 0.00207 0.00255 210 4XX 0.00054 -0.00007 -0.00008 0.00009 0.00010 211 4YY -0.00304 0.00024 0.00030 -0.00012 -0.00047 212 4ZZ -0.00020 -0.00007 -0.00016 0.00013 0.00020 213 4XY 0.00227 0.00029 -0.00031 -0.00011 0.00014 214 4XZ 0.00033 0.00007 -0.00007 -0.00003 -0.00004 215 4YZ -0.00189 -0.00032 -0.00001 0.00035 0.00034 101 102 103 104 105 101 4XZ 0.00064 102 4YZ 0.00020 0.00124 103 13 C 1S -0.00357 0.00331 2.05392 104 2S 0.00741 -0.00643 -0.07106 0.35892 105 2PX -0.00344 0.00771 0.00042 -0.00234 0.35088 106 2PY 0.00749 -0.00048 -0.00315 0.00826 -0.01830 107 2PZ -0.00137 0.00269 0.00113 -0.00372 0.07308 108 3S 0.00457 -0.00689 -0.14863 0.25175 -0.00322 109 3PX -0.00047 0.00270 0.00853 -0.00974 0.09899 110 3PY 0.00148 -0.00189 -0.06263 0.08424 0.01339 111 3PZ 0.00021 -0.00071 -0.00688 0.00947 -0.04582 112 4XX -0.00006 0.00036 -0.01176 -0.01381 -0.00148 113 4YY -0.00037 -0.00013 -0.01515 -0.00381 -0.00053 114 4ZZ 0.00017 0.00048 -0.01176 -0.01366 0.00080 115 4XY 0.00003 0.00014 0.00067 -0.00224 0.00093 116 4XZ 0.00047 0.00016 -0.00267 0.00583 -0.00235 117 4YZ -0.00028 0.00034 -0.00057 0.00148 0.01464 118 14 C 1S -0.00054 -0.00066 0.01383 -0.02711 -0.03908 119 2S 0.00115 0.00153 -0.02919 0.05106 0.07867 120 2PX -0.00325 -0.00057 0.03984 -0.08444 -0.04562 121 2PY -0.00160 -0.00053 0.03692 -0.08190 -0.08839 122 2PZ -0.00274 -0.00244 0.04794 -0.09903 -0.15467 123 3S 0.00020 0.00410 0.02214 -0.01062 0.10987 124 3PX -0.00128 -0.00108 -0.00571 -0.00459 -0.01432 125 3PY -0.00011 -0.00138 0.01797 -0.02668 -0.05647 126 3PZ -0.00092 -0.00212 -0.00328 -0.00867 -0.07117 127 4XX 0.00006 -0.00018 -0.00091 0.00121 -0.00657 128 4YY -0.00013 0.00005 0.00017 -0.00183 -0.00075 129 4ZZ 0.00012 -0.00007 -0.00245 0.00401 0.00278 130 4XY 0.00011 0.00001 -0.00338 0.00660 0.00293 131 4XZ 0.00022 -0.00013 -0.00322 0.00650 -0.00004 132 4YZ 0.00014 0.00014 -0.00422 0.00805 0.00758 133 15 C 1S 0.00018 0.00034 -0.00349 0.00919 0.00691 134 2S -0.00027 -0.00088 0.00778 -0.01902 -0.01649 135 2PX -0.00095 0.00073 -0.00387 0.00740 0.02272 136 2PY 0.00104 -0.00165 -0.01409 0.03825 0.01790 137 2PZ 0.00023 0.00147 -0.00387 0.01120 -0.00296 138 3S -0.00043 -0.00282 -0.01428 0.00312 -0.01197 139 3PX -0.00037 0.00093 0.00463 -0.00324 0.00846 140 3PY 0.00055 -0.00141 -0.00053 0.01199 0.00212 141 3PZ 0.00024 0.00131 0.00399 -0.00003 0.00434 142 4XX 0.00003 0.00014 -0.00040 0.00101 0.00022 143 4YY 0.00002 -0.00001 -0.00047 0.00098 0.00147 144 4ZZ -0.00001 -0.00001 -0.00030 0.00082 0.00081 145 4XY 0.00009 0.00006 -0.00145 0.00300 0.00209 146 4XZ 0.00003 0.00008 -0.00006 0.00028 0.00015 147 4YZ 0.00008 0.00015 -0.00170 0.00347 0.00614 148 16 C 1S 0.00009 -0.00140 -0.00388 0.00590 0.00034 149 2S -0.00021 0.00291 0.00590 -0.01270 -0.00120 150 2PX -0.00062 -0.00607 0.00034 -0.00121 -0.02262 151 2PY -0.00002 -0.00272 -0.00832 0.02205 0.00186 152 2PZ 0.00081 -0.00217 0.00035 0.00222 -0.01577 153 3S 0.00023 0.00373 0.01970 -0.02697 0.00130 154 3PX -0.00051 -0.00150 -0.00061 -0.00065 -0.00865 155 3PY 0.00008 -0.00094 -0.01744 0.02244 0.00197 156 3PZ 0.00024 0.00031 0.00273 -0.00244 -0.00455 157 4XX 0.00008 0.00024 -0.00055 0.00082 0.00006 158 4YY -0.00012 -0.00013 -0.00043 -0.00026 0.00090 159 4ZZ 0.00000 -0.00036 -0.00058 0.00059 -0.00078 160 4XY 0.00002 0.00049 -0.00002 0.00018 0.00063 161 4XZ -0.00001 -0.00011 0.00016 -0.00003 -0.00021 162 4YZ -0.00012 0.00006 -0.00014 -0.00009 0.00258 163 17 C 1S 0.00070 0.00041 -0.00330 0.00881 -0.00739 164 2S -0.00140 -0.00058 0.00758 -0.01833 0.01900 165 2PX -0.00126 0.00039 0.00220 -0.01245 0.01573 166 2PY 0.00196 -0.00096 -0.01401 0.03692 -0.03465 167 2PZ 0.00103 0.01298 0.00382 -0.00609 0.00841 168 3S -0.00257 0.00025 -0.01198 0.00042 0.01408 169 3PX -0.00140 -0.00126 -0.00061 -0.00814 0.01174 170 3PY 0.00143 0.00085 0.00025 0.01060 -0.00919 171 3PZ 0.00103 0.00682 -0.00402 0.00427 0.00201 172 4XX 0.00004 0.00014 -0.00022 0.00062 0.00028 173 4YY 0.00015 0.00009 -0.00058 0.00103 -0.00161 174 4ZZ 0.00004 -0.00025 -0.00048 0.00127 -0.00123 175 4XY -0.00017 0.00053 0.00146 -0.00306 0.00261 176 4XZ -0.00002 -0.00014 0.00009 -0.00021 -0.00062 177 4YZ 0.00014 0.00089 0.00140 -0.00291 0.00607 178 18 H 1S 0.00574 0.01190 0.01057 -0.02370 0.03594 179 2S 0.00340 0.01004 0.01894 -0.03652 0.06587 180 19 H 1S -0.00098 -0.00107 0.01118 -0.02464 -0.03223 181 2S -0.00032 -0.00211 0.02051 -0.03681 -0.06363 182 20 H 1S 0.00025 0.00059 -0.00870 0.01984 0.02050 183 2S 0.00040 0.00169 -0.01165 0.02371 0.03373 184 21 H 1S -0.00020 -0.00831 -0.00715 0.01651 -0.02617 185 2S 0.00016 -0.00793 -0.00979 0.02055 -0.04145 186 22 O 1S 0.00008 0.00001 -0.00038 0.00090 -0.00020 187 2S -0.00027 0.00001 -0.00075 0.00026 0.00125 188 2PX 0.00077 0.00343 -0.00016 0.00113 -0.00827 189 2PY 0.00024 0.00058 0.00199 -0.00843 0.00112 190 2PZ -0.00106 -0.00019 -0.00018 -0.00162 0.01109 191 3S -0.00022 0.00032 0.01075 -0.01490 -0.00149 192 3PX 0.00069 0.00299 -0.00074 0.00215 -0.00364 193 3PY 0.00009 0.00018 -0.00103 -0.00191 0.00166 194 3PZ -0.00085 -0.00012 -0.00015 -0.00169 0.01013 195 4XX 0.00001 0.00002 -0.00071 0.00063 0.00047 196 4YY -0.00001 -0.00001 -0.00048 0.00076 -0.00017 197 4ZZ -0.00001 -0.00005 -0.00072 0.00061 0.00030 198 4XY -0.00002 0.00001 0.00001 0.00006 0.00089 199 4XZ 0.00001 -0.00001 -0.00013 0.00027 -0.00018 200 4YZ 0.00002 0.00008 0.00006 -0.00014 -0.00017 201 23 O 1S -0.00003 0.00031 0.01198 -0.01352 -0.00589 202 2S -0.00049 -0.00057 -0.02019 0.02282 0.01442 203 2PX -0.00077 0.00391 0.01447 -0.02850 0.19017 204 2PY -0.00369 -0.00288 -0.10094 0.21650 0.08675 205 2PZ 0.00211 -0.00263 -0.00996 0.02135 -0.11511 206 3S 0.00055 0.00016 -0.01546 -0.03037 -0.00372 207 3PX -0.00046 0.00210 0.00796 -0.01425 0.10941 208 3PY -0.00202 -0.00146 -0.05778 0.11232 0.04673 209 3PZ 0.00172 -0.00191 -0.00550 0.01111 -0.08264 210 4XX -0.00005 -0.00001 0.00417 -0.00502 -0.00432 211 4YY -0.00011 -0.00023 -0.00877 0.01901 0.00786 212 4ZZ -0.00003 0.00009 0.00428 -0.00521 -0.00084 213 4XY -0.00011 0.00041 0.00201 -0.00381 0.01672 214 4XZ 0.00001 0.00009 0.00018 -0.00046 0.00202 215 4YZ 0.00005 -0.00006 -0.00135 0.00244 -0.00293 106 107 108 109 110 106 2PY 0.42509 107 2PZ 0.01266 0.35653 108 3S 0.04104 0.01450 0.22043 109 3PX 0.02228 -0.04792 -0.01065 0.05208 110 3PY -0.00900 -0.00456 0.05839 -0.00018 0.03647 111 3PZ -0.01335 0.10198 0.01064 -0.03073 0.00020 112 4XX 0.01380 -0.00164 -0.00733 0.00230 -0.00509 113 4YY -0.01736 0.00106 -0.00677 -0.00228 0.00275 114 4ZZ 0.01484 0.00237 -0.00691 0.00094 -0.00475 115 4XY 0.00290 0.01475 0.00141 -0.00605 -0.00024 116 4XZ 0.00756 0.00237 0.00402 -0.00075 0.00027 117 4YZ -0.00070 0.00226 0.00093 0.00162 0.00093 118 14 C 1S -0.03448 -0.04763 0.00156 0.00432 -0.00261 119 2S 0.06332 0.09862 0.02100 -0.00218 0.01620 120 2PX -0.08539 -0.16024 -0.07701 0.01981 -0.03066 121 2PY -0.07498 -0.11632 -0.06850 -0.01332 0.02402 122 2PZ -0.11511 -0.09795 -0.09854 -0.02026 -0.04409 123 3S 0.11830 0.11356 -0.01682 -0.00170 -0.01181 124 3PX -0.05513 -0.07366 -0.00725 0.00873 -0.00090 125 3PY 0.02135 -0.07148 -0.01596 -0.00264 0.00198 126 3PZ -0.06944 -0.03646 -0.01572 -0.01208 -0.00761 127 4XX 0.00112 0.00086 0.00127 -0.00188 -0.00112 128 4YY -0.00938 -0.00080 -0.00233 -0.00061 0.00081 129 4ZZ 0.00322 -0.00500 0.00308 0.00228 0.00013 130 4XY 0.00120 0.00755 0.00723 -0.00076 0.00247 131 4XZ 0.00705 0.00253 0.00411 -0.00013 0.00054 132 4YZ 0.00100 0.00540 0.00742 0.00185 0.00285 133 15 C 1S 0.01004 0.00812 0.00151 0.00261 -0.00909 134 2S -0.02512 -0.02010 -0.01517 -0.00756 0.01305 135 2PX 0.01218 -0.00247 0.04156 0.01562 0.00700 136 2PY 0.03849 0.03016 0.05011 0.01002 -0.02559 137 2PZ 0.00589 0.01991 0.03063 0.01372 0.00147 138 3S -0.08120 0.00089 0.00303 -0.01677 0.01777 139 3PX 0.00896 0.00029 0.01009 0.00575 0.00139 140 3PY 0.04247 -0.00033 0.01714 0.00019 -0.00892 141 3PZ 0.00397 0.00249 0.00208 0.01165 -0.00175 142 4XX -0.00005 0.00083 0.00082 0.00037 -0.00088 143 4YY 0.00208 0.00193 0.00027 0.00005 0.00058 144 4ZZ 0.00018 0.00036 0.00150 0.00048 -0.00063 145 4XY 0.00330 0.00636 0.00427 -0.00018 0.00167 146 4XZ 0.00055 0.00082 0.00072 0.00029 -0.00009 147 4YZ 0.00469 0.00377 0.00508 0.00123 0.00213 148 16 C 1S 0.00832 0.00035 0.01970 -0.00061 0.01745 149 2S -0.02204 0.00222 -0.02697 -0.00065 -0.02244 150 2PX -0.00187 -0.01577 0.00129 -0.00865 -0.00197 151 2PY 0.02733 0.00027 0.02665 0.00270 -0.01005 152 2PZ -0.00027 -0.02586 -0.02064 -0.00248 -0.00905 153 3S -0.02666 -0.02064 -0.04383 0.00414 -0.02727 154 3PX -0.00270 -0.00248 0.00414 0.00237 0.00176 155 3PY -0.01004 0.00906 0.02727 -0.00176 0.00387 156 3PZ 0.00303 -0.00810 -0.01049 0.00550 -0.00458 157 4XX 0.00004 0.00061 0.00112 0.00045 0.00090 158 4YY -0.00154 -0.00083 -0.00088 -0.00008 0.00105 159 4ZZ -0.00022 0.00022 0.00195 -0.00054 0.00055 160 4XY -0.00032 0.00268 0.00017 0.00203 0.00034 161 4XZ 0.00023 0.00011 0.00079 -0.00007 -0.00008 162 4YZ 0.00057 0.00062 0.00182 0.00213 0.00039 163 17 C 1S 0.00944 -0.00832 -0.00274 0.00029 -0.01161 164 2S -0.02334 0.01801 -0.01122 0.00379 0.01308 165 2PX -0.00378 -0.00755 0.00368 0.01025 0.00392 166 2PY 0.03551 -0.01197 0.05526 -0.00599 -0.01757 167 2PZ -0.00903 0.01812 -0.04141 0.01607 0.00216 168 3S -0.07419 0.03480 0.01574 -0.00105 0.02641 169 3PX -0.00271 0.00978 0.01216 0.00356 0.00172 170 3PY 0.04308 -0.00218 0.01291 0.00779 -0.00919 171 3PZ -0.00672 0.01603 -0.01253 0.00653 0.00438 172 4XX 0.00015 -0.00104 0.00056 0.00030 -0.00034 173 4YY 0.00159 -0.00154 -0.00024 -0.00004 0.00033 174 4ZZ 0.00016 -0.00076 0.00167 -0.00063 -0.00095 175 4XY -0.00419 0.00582 -0.00285 -0.00023 -0.00143 176 4XZ 0.00002 0.00081 0.00023 -0.00051 -0.00008 177 4YZ -0.00272 0.00217 -0.00373 0.00150 -0.00094 178 18 H 1S -0.01177 0.02696 -0.03546 0.00775 -0.02344 179 2S 0.00947 0.05526 -0.03513 0.00881 -0.02090 180 19 H 1S -0.01466 -0.03619 -0.04028 0.00039 -0.03065 181 2S 0.00997 -0.06800 -0.04594 0.00196 -0.03042 182 20 H 1S 0.02158 0.02621 0.04565 0.01160 0.00411 183 2S 0.03194 0.04402 0.04651 0.01256 0.00530 184 21 H 1S 0.01591 -0.01421 0.03717 -0.01238 -0.00066 185 2S 0.02336 -0.02512 0.03360 -0.01506 -0.00190 186 22 O 1S -0.00037 0.00015 -0.00314 -0.00029 -0.00210 187 2S -0.00237 -0.00068 0.00508 0.00102 -0.00112 188 2PX -0.00275 0.01468 0.00509 0.02023 0.00961 189 2PY -0.00815 -0.00278 0.00055 -0.00203 0.01968 190 2PZ 0.00278 -0.00526 0.00703 0.02100 -0.00374 191 3S 0.01327 -0.00077 -0.00883 0.00034 0.00965 192 3PX -0.00219 0.01308 0.00384 0.01472 0.00585 193 3PY -0.00863 -0.00318 0.00401 -0.00089 0.00833 194 3PZ 0.00197 -0.00159 0.00703 0.01461 -0.00103 195 4XX -0.00111 -0.00030 0.00061 -0.00008 0.00013 196 4YY -0.00033 0.00039 0.00021 0.00007 -0.00181 197 4ZZ -0.00118 -0.00030 0.00079 0.00019 0.00013 198 4XY 0.00045 -0.00032 -0.00021 -0.00051 -0.00059 199 4XZ 0.00012 0.00030 0.00042 -0.00008 0.00005 200 4YZ -0.00031 0.00094 0.00016 -0.00080 0.00055 201 23 O 1S 0.04791 0.00441 0.03099 -0.00006 -0.00118 202 2S -0.10932 -0.01153 -0.07941 -0.00284 0.02825 203 2PX 0.08800 -0.11281 -0.04190 0.13949 -0.00953 204 2PY -0.37717 -0.06856 0.15586 0.01124 0.06285 205 2PZ -0.06625 0.18706 0.01340 -0.04684 0.00226 206 3S -0.02838 0.00360 -0.13610 -0.00643 0.02987 207 3PX 0.04913 -0.08139 -0.02573 0.08944 -0.00680 208 3PY -0.19827 -0.03869 0.08295 0.00709 0.03557 209 3PZ -0.03835 0.10517 0.00581 -0.02800 0.00148 210 4XX 0.00411 0.00086 -0.00142 -0.00144 -0.00253 211 4YY -0.02077 -0.00616 0.01497 0.00208 0.00434 212 4ZZ 0.00477 0.00280 -0.00172 0.00002 -0.00255 213 4XY 0.00677 -0.00289 -0.00349 0.00853 -0.00078 214 4XZ 0.00184 -0.00266 0.00004 0.00139 -0.00044 215 4YZ -0.00489 0.01710 0.00211 -0.00356 0.00040 111 112 113 114 115 111 3PZ 0.05181 112 4XX -0.00083 0.00204 113 4YY 0.00145 -0.00101 0.00224 114 4ZZ -0.00130 0.00091 -0.00086 0.00197 115 4XY 0.00187 -0.00044 0.00009 0.00059 0.00342 116 4XZ 0.00118 0.00021 -0.00057 0.00027 0.00028 117 4YZ -0.00586 -0.00038 -0.00006 0.00032 0.00139 118 14 C 1S 0.00269 -0.00054 0.00071 -0.00291 -0.00546 119 2S 0.00355 -0.00015 -0.00207 0.00427 0.01075 120 2PX -0.02939 0.00969 0.00088 -0.00516 -0.00359 121 2PY -0.01285 -0.00174 0.01239 -0.00676 -0.00571 122 2PZ 0.00424 -0.00059 0.00138 0.00673 -0.01437 123 3S -0.01878 0.00149 -0.00442 0.01154 0.02258 124 3PX -0.00978 0.00397 0.00102 -0.00619 -0.00123 125 3PY -0.01177 0.00082 0.00173 -0.00027 -0.00038 126 3PZ 0.00692 -0.00334 0.00097 0.00218 -0.00823 127 4XX 0.00162 0.00007 -0.00019 0.00004 -0.00016 128 4YY 0.00070 -0.00024 0.00057 -0.00041 -0.00025 129 4ZZ -0.00214 0.00004 -0.00034 0.00001 -0.00026 130 4XY 0.00271 -0.00017 0.00011 -0.00057 0.00067 131 4XZ 0.00049 0.00007 -0.00046 0.00022 0.00016 132 4YZ 0.00086 -0.00058 -0.00001 -0.00014 -0.00025 133 15 C 1S -0.00006 0.00031 -0.00177 0.00090 0.00013 134 2S -0.00315 -0.00058 0.00373 -0.00197 -0.00035 135 2PX 0.01246 0.00548 -0.00017 -0.00611 0.00667 136 2PY 0.00626 0.00180 -0.00904 0.00313 -0.00130 137 2PZ 0.01734 -0.00476 -0.00136 0.00608 -0.00672 138 3S 0.00379 -0.00224 0.00431 -0.00542 -0.00595 139 3PX 0.00746 0.00389 0.00071 -0.00407 0.00492 140 3PY -0.00830 0.00060 -0.00334 0.00278 0.00371 141 3PZ 0.00375 -0.00300 -0.00025 0.00408 -0.00559 142 4XX 0.00037 0.00002 -0.00024 0.00009 -0.00013 143 4YY 0.00018 0.00003 0.00007 0.00006 0.00019 144 4ZZ 0.00013 0.00004 -0.00022 0.00002 0.00002 145 4XY 0.00164 -0.00039 -0.00004 0.00023 0.00010 146 4XZ 0.00054 0.00003 -0.00014 0.00003 -0.00004 147 4YZ 0.00037 0.00003 -0.00006 -0.00025 0.00062 148 16 C 1S 0.00273 -0.00055 -0.00043 -0.00058 0.00002 149 2S -0.00244 0.00082 -0.00026 0.00059 -0.00018 150 2PX -0.00455 0.00006 0.00090 -0.00078 -0.00063 151 2PY -0.00303 -0.00004 0.00154 0.00022 -0.00032 152 2PZ -0.00810 0.00061 -0.00083 0.00022 -0.00268 153 3S -0.01050 0.00112 -0.00088 0.00195 -0.00017 154 3PX 0.00550 0.00046 -0.00008 -0.00054 -0.00203 155 3PY 0.00458 -0.00090 -0.00105 -0.00055 0.00034 156 3PZ 0.00352 0.00088 -0.00032 -0.00002 -0.00243 157 4XX 0.00088 0.00038 -0.00026 -0.00026 0.00014 158 4YY -0.00032 -0.00026 0.00060 -0.00023 0.00001 159 4ZZ -0.00002 -0.00026 -0.00023 0.00029 -0.00024 160 4XY 0.00243 -0.00014 -0.00001 0.00024 -0.00037 161 4XZ 0.00029 0.00012 -0.00013 -0.00006 0.00008 162 4YZ 0.00213 -0.00005 0.00006 -0.00009 0.00039 163 17 C 1S -0.00426 0.00037 -0.00186 0.00073 0.00042 164 2S 0.00969 -0.00096 0.00374 -0.00160 -0.00085 165 2PX 0.00608 -0.00583 0.00206 0.00272 0.00194 166 2PY -0.00286 0.00458 -0.00969 0.00168 0.00171 167 2PZ 0.01370 0.00358 -0.00004 -0.00254 -0.00197 168 3S 0.02457 -0.00367 0.00454 -0.00363 0.00539 169 3PX 0.00869 -0.00373 0.00108 0.00183 0.00152 170 3PY 0.00261 0.00483 -0.00468 0.00038 -0.00473 171 3PZ 0.00963 0.00226 -0.00093 -0.00147 -0.00109 172 4XX -0.00050 -0.00001 -0.00015 0.00005 0.00018 173 4YY -0.00010 0.00004 0.00012 -0.00003 -0.00022 174 4ZZ -0.00055 0.00005 -0.00029 0.00011 -0.00001 175 4XY 0.00105 0.00031 -0.00001 -0.00007 0.00013 176 4XZ 0.00024 0.00008 -0.00012 0.00000 -0.00002 177 4YZ -0.00031 -0.00024 0.00013 0.00036 0.00049 178 18 H 1S -0.00017 0.00230 -0.00360 0.00647 0.00324 179 2S -0.00286 0.00103 -0.00277 0.00711 0.00741 180 19 H 1S -0.00822 0.00413 -0.00415 0.00485 -0.00140 181 2S -0.00900 0.00500 -0.00355 0.00362 -0.00601 182 20 H 1S 0.01357 -0.00006 -0.00227 0.00058 0.00075 183 2S 0.01612 -0.00039 -0.00284 0.00120 0.00265 184 21 H 1S -0.00518 0.00091 -0.00236 0.00004 -0.00068 185 2S -0.00805 0.00105 -0.00299 0.00016 -0.00216 186 22 O 1S -0.00068 0.00011 -0.00036 0.00008 0.00004 187 2S 0.00024 -0.00031 0.00118 -0.00004 -0.00015 188 2PX 0.02682 -0.00054 -0.00129 0.00201 -0.00310 189 2PY 0.00399 0.00035 -0.00244 -0.00065 0.00113 190 2PZ 0.02329 0.00017 0.00104 -0.00131 0.00332 191 3S 0.00138 0.00016 0.00191 -0.00024 -0.00017 192 3PX 0.01910 -0.00044 -0.00102 0.00161 -0.00218 193 3PY 0.00149 0.00018 -0.00163 -0.00034 0.00081 194 3PZ 0.01668 -0.00001 0.00086 -0.00102 0.00288 195 4XX -0.00022 -0.00001 -0.00005 -0.00006 0.00006 196 4YY -0.00021 0.00000 0.00005 0.00007 -0.00005 197 4ZZ 0.00014 -0.00008 -0.00006 0.00000 -0.00001 198 4XY -0.00101 0.00004 0.00003 -0.00005 0.00013 199 4XZ 0.00006 0.00002 -0.00006 0.00001 -0.00003 200 4YZ -0.00061 -0.00003 -0.00002 0.00005 -0.00008 201 23 O 1S 0.00036 0.00509 -0.01296 0.00527 0.00272 202 2S 0.00025 -0.01121 0.02385 -0.01174 -0.00556 203 2PX -0.04627 0.01354 -0.00843 -0.00051 -0.04056 204 2PY -0.01375 -0.01759 0.00551 -0.01941 -0.00819 205 2PZ 0.13649 0.00005 0.00503 -0.00805 -0.01232 206 3S 0.00449 -0.00940 0.02827 -0.00949 -0.00452 207 3PX -0.02801 0.00909 -0.00564 -0.00100 -0.02889 208 3PY -0.00800 -0.00908 0.00257 -0.01015 -0.00480 209 3PZ 0.08695 0.00043 0.00333 -0.00538 -0.00940 210 4XX 0.00040 0.00045 -0.00048 0.00047 0.00048 211 4YY -0.00201 -0.00105 -0.00017 -0.00119 -0.00064 212 4ZZ 0.00092 0.00048 -0.00054 0.00054 0.00007 213 4XY -0.00347 0.00072 -0.00046 0.00022 -0.00158 214 4XZ -0.00156 0.00018 -0.00029 0.00017 -0.00011 215 4YZ 0.00842 -0.00018 0.00030 -0.00040 -0.00007 116 117 118 119 120 116 4XZ 0.00061 117 4YZ -0.00036 0.00360 118 14 C 1S -0.00354 -0.00572 2.05475 119 2S 0.00629 0.01114 -0.06604 0.33272 120 2PX 0.00151 -0.01286 -0.00082 -0.00025 0.36088 121 2PY -0.00607 -0.00486 0.00119 -0.00064 -0.00457 122 2PZ -0.00171 -0.00669 -0.00081 -0.00125 0.05352 123 3S 0.00535 0.02525 -0.19823 0.31899 -0.04174 124 3PX 0.00107 -0.00786 0.00560 -0.00114 0.19087 125 3PY -0.00157 -0.00003 0.00084 -0.00938 0.01064 126 3PZ -0.00118 -0.00214 0.00403 0.00281 -0.02382 127 4XX 0.00003 -0.00032 -0.01487 -0.00867 -0.00092 128 4YY -0.00021 -0.00023 -0.01819 -0.00058 0.00110 129 4ZZ 0.00008 -0.00006 -0.01597 -0.00659 0.00278 130 4XY 0.00007 -0.00011 0.00144 -0.00268 -0.00223 131 4XZ 0.00045 0.00011 -0.00466 0.00944 0.00127 132 4YZ -0.00016 0.00054 0.00151 -0.00291 -0.01563 133 15 C 1S 0.00044 -0.00020 0.01874 -0.03878 0.00147 134 2S -0.00101 0.00046 -0.03878 0.06964 -0.00050 135 2PX 0.00198 -0.00590 0.00146 -0.00048 0.18185 136 2PY 0.00134 -0.00187 0.08564 -0.17215 -0.00094 137 2PZ -0.00160 0.00373 0.00020 0.00090 -0.13310 138 3S -0.00194 -0.00601 0.02187 -0.01349 -0.01567 139 3PX 0.00145 -0.00406 -0.00569 0.00624 0.11864 140 3PY 0.00062 0.00491 0.00298 -0.01903 -0.01407 141 3PZ -0.00126 0.00251 -0.00574 0.00391 -0.09191 142 4XX 0.00001 0.00001 0.00255 -0.00590 -0.00102 143 4YY 0.00013 0.00025 -0.00590 0.01036 -0.00027 144 4ZZ 0.00003 -0.00014 0.00277 -0.00633 0.00181 145 4XY -0.00009 0.00053 0.00005 0.00006 -0.01375 146 4XZ 0.00002 -0.00003 0.00086 -0.00198 -0.00037 147 4YZ 0.00006 0.00021 0.00005 0.00011 -0.00050 148 16 C 1S 0.00016 0.00014 -0.00348 0.00778 -0.00387 149 2S -0.00003 0.00009 0.00919 -0.01902 0.00740 150 2PX -0.00021 -0.00258 0.00691 -0.01649 0.02272 151 2PY -0.00023 0.00057 -0.01004 0.02512 -0.01218 152 2PZ 0.00011 -0.00062 0.00813 -0.02010 -0.00246 153 3S 0.00079 -0.00182 0.00151 -0.01517 0.04155 154 3PX -0.00007 -0.00213 0.00261 -0.00755 0.01562 155 3PY 0.00008 0.00039 0.00909 -0.01305 -0.00698 156 3PZ 0.00029 -0.00213 -0.00006 -0.00315 0.01247 157 4XX 0.00012 0.00005 0.00031 -0.00058 0.00548 158 4YY -0.00013 -0.00006 -0.00177 0.00373 -0.00017 159 4ZZ -0.00006 0.00009 0.00090 -0.00197 -0.00611 160 4XY -0.00008 0.00039 -0.00013 0.00035 -0.00667 161 4XZ 0.00002 -0.00005 0.00044 -0.00101 0.00198 162 4YZ 0.00005 -0.00036 0.00020 -0.00046 0.00590 163 17 C 1S 0.00047 -0.00040 -0.00073 0.00029 -0.00242 164 2S -0.00110 0.00045 0.00097 -0.00166 0.00756 165 2PX -0.00046 -0.00551 0.00512 -0.01359 -0.00859 166 2PY 0.00175 0.00266 -0.00244 0.00595 -0.00494 167 2PZ 0.00053 0.00284 0.00085 0.00009 0.02036 168 3S -0.00241 0.00843 0.00023 0.00994 0.00249 169 3PX -0.00040 -0.00429 0.00489 -0.01034 -0.01076 170 3PY 0.00147 -0.00301 -0.00124 -0.00062 0.00716 171 3PZ 0.00043 0.00287 0.00211 -0.00037 0.00080 172 4XX 0.00007 -0.00015 0.00009 -0.00038 0.00173 173 4YY 0.00013 -0.00023 0.00004 -0.00002 0.00077 174 4ZZ 0.00001 0.00009 -0.00012 -0.00005 -0.00162 175 4XY -0.00008 0.00063 -0.00046 0.00115 -0.00110 176 4XZ -0.00001 0.00012 0.00018 -0.00027 -0.00095 177 4YZ 0.00011 0.00006 -0.00034 0.00088 -0.00073 178 18 H 1S 0.00507 -0.00014 -0.00677 0.01539 -0.01996 179 2S 0.00292 0.00560 -0.01405 0.02922 -0.05175 180 19 H 1S 0.00429 -0.00182 -0.06122 0.11759 0.15372 181 2S 0.00271 -0.00711 -0.01072 0.02285 0.13458 182 20 H 1S 0.00019 0.00039 0.01309 -0.02723 -0.01014 183 2S 0.00051 0.00176 0.01514 -0.02764 -0.02587 184 21 H 1S -0.00013 0.00003 0.00033 -0.00082 -0.00505 185 2S 0.00003 -0.00115 0.00449 -0.00950 -0.00818 186 22 O 1S -0.00002 -0.00007 0.00124 -0.00301 0.00159 187 2S -0.00014 0.00018 -0.00251 0.00586 -0.00332 188 2PX -0.00033 0.00377 -0.00596 0.01177 -0.05740 189 2PY 0.00072 -0.00102 0.00753 -0.01929 0.02072 190 2PZ 0.00019 -0.00261 -0.00948 0.01688 0.04707 191 3S -0.00028 0.00032 -0.00881 0.01873 -0.01050 192 3PX -0.00024 0.00320 -0.00455 0.00990 -0.04749 193 3PY 0.00052 -0.00086 0.00580 -0.01474 0.01839 194 3PZ 0.00011 -0.00179 -0.00690 0.01331 0.03359 195 4XX 0.00002 -0.00004 0.00024 -0.00077 0.00153 196 4YY -0.00003 0.00005 0.00020 -0.00018 -0.00079 197 4ZZ -0.00001 -0.00001 0.00032 -0.00090 0.00009 198 4XY 0.00002 -0.00009 -0.00010 0.00020 0.00182 199 4XZ 0.00001 0.00003 0.00022 -0.00042 -0.00040 200 4YZ -0.00001 0.00012 0.00000 0.00000 -0.00198 201 23 O 1S 0.00172 -0.00167 -0.00262 0.00603 -0.00089 202 2S -0.00379 0.00334 0.00744 -0.01598 0.00511 203 2PX -0.00219 -0.01191 0.02041 -0.04347 0.01827 204 2PY -0.00442 0.00428 0.01439 -0.02499 0.02275 205 2PZ 0.00465 -0.04300 0.02563 -0.04847 0.05103 206 3S -0.00377 0.00283 0.00086 -0.00177 -0.01488 207 3PX -0.00157 -0.00907 0.01696 -0.03698 0.01218 208 3PY -0.00254 0.00230 0.00678 -0.01173 0.00654 209 3PZ 0.00321 -0.03055 0.02023 -0.03975 0.04765 210 4XX 0.00008 -0.00003 0.00023 -0.00050 0.00172 211 4YY -0.00014 0.00038 0.00065 -0.00117 0.00080 212 4ZZ 0.00010 -0.00037 0.00018 -0.00047 0.00006 213 4XY -0.00014 -0.00005 -0.00022 0.00015 -0.00068 214 4XZ 0.00002 0.00022 -0.00004 0.00026 0.00065 215 4YZ 0.00025 -0.00168 0.00003 0.00020 -0.00201 121 122 123 124 125 121 2PY 0.44126 122 2PZ -0.00257 0.37297 123 3S -0.08119 -0.03696 0.46602 124 3PX 0.01353 -0.02201 -0.04111 0.11494 125 3PY 0.12002 0.00625 0.00956 0.00531 0.06208 126 3PZ 0.01052 0.18495 -0.02631 -0.03310 0.00289 127 4XX -0.00816 0.00334 -0.00581 -0.00110 -0.00136 128 4YY 0.01162 0.00176 -0.00444 0.00129 0.00140 129 4ZZ -0.01029 -0.00188 -0.00349 0.00134 -0.00184 130 4XY 0.00080 -0.01553 -0.00312 0.00157 -0.00016 131 4XZ -0.01042 0.00193 0.00939 0.00028 -0.00238 132 4YZ 0.00096 -0.00583 -0.00299 -0.00725 -0.00046 133 15 C 1S -0.08564 0.00020 0.02187 -0.00569 -0.00298 134 2S 0.17214 0.00089 -0.01349 0.00624 0.01903 135 2PX 0.00100 -0.13310 -0.01567 0.11865 0.01408 136 2PY -0.32373 -0.00234 -0.13312 -0.01180 -0.09358 137 2PZ 0.00233 0.14652 -0.00216 -0.09377 0.01073 138 3S 0.13311 -0.00218 -0.17232 0.00667 -0.03915 139 3PX 0.01183 -0.09376 0.00665 0.07763 0.01419 140 3PY -0.09357 -0.01073 0.03915 -0.01418 -0.00714 141 3PZ 0.01301 0.09560 0.00735 -0.06543 0.00933 142 4XX -0.00953 0.00151 -0.00370 -0.00093 -0.00228 143 4YY 0.00540 -0.00014 0.01092 0.00003 0.00234 144 4ZZ -0.01005 -0.00113 -0.00489 0.00072 -0.00272 145 4XY 0.00124 -0.00080 -0.00009 -0.00750 -0.00031 146 4XZ -0.00297 0.00007 -0.00383 -0.00027 -0.00173 147 4YZ 0.00122 -0.01400 -0.00048 0.00176 -0.00014 148 16 C 1S 0.01409 -0.00387 -0.01429 0.00463 0.00053 149 2S -0.03825 0.01120 0.00312 -0.00324 -0.01199 150 2PX -0.01790 -0.00295 -0.01197 0.00846 -0.00213 151 2PY 0.03848 -0.00589 0.08121 -0.00897 0.04248 152 2PZ -0.03016 0.01990 0.00088 0.00030 0.00033 153 3S -0.05010 0.03065 0.00303 0.01008 -0.01714 154 3PX -0.01002 0.01372 -0.01676 0.00575 -0.00018 155 3PY -0.02560 -0.00149 -0.01777 -0.00138 -0.00893 156 3PZ -0.00626 0.01734 0.00378 0.00746 0.00830 157 4XX -0.00180 -0.00476 -0.00224 0.00389 -0.00060 158 4YY 0.00904 -0.00136 0.00431 0.00071 0.00334 159 4ZZ -0.00313 0.00608 -0.00542 -0.00407 -0.00278 160 4XY -0.00131 0.00672 0.00595 -0.00492 0.00371 161 4XZ -0.00134 -0.00160 -0.00194 0.00145 -0.00062 162 4YZ -0.00186 -0.00373 0.00601 0.00406 0.00491 163 17 C 1S 0.00158 -0.00221 0.00701 -0.00548 0.00244 164 2S -0.00271 0.00498 0.00150 0.00815 0.00246 165 2PX -0.00622 0.03007 -0.02423 -0.01209 0.00127 166 2PY 0.00209 -0.01366 0.00663 -0.00155 0.00848 167 2PZ -0.00776 -0.01447 -0.00652 0.01268 -0.00437 168 3S -0.01056 0.00268 0.05831 0.00944 0.02920 169 3PX -0.00717 0.01586 -0.01862 -0.00922 -0.00115 170 3PY 0.01007 -0.00563 -0.02815 0.00495 -0.00257 171 3PZ -0.00812 -0.00928 -0.00552 0.00278 -0.00437 172 4XX -0.00077 -0.00148 -0.00135 0.00083 -0.00068 173 4YY 0.00106 0.00026 -0.00021 0.00043 0.00044 174 4ZZ -0.00037 0.00121 0.00025 -0.00093 -0.00008 175 4XY -0.00118 -0.00109 0.00289 -0.00082 -0.00150 176 4XZ -0.00104 0.00023 -0.00043 -0.00037 -0.00055 177 4YZ -0.00165 -0.00147 0.00281 -0.00093 -0.00141 178 18 H 1S -0.01010 -0.01908 0.03772 -0.01762 -0.01969 179 2S -0.02782 -0.04027 0.07897 -0.03639 -0.01793 180 19 H 1S -0.14353 0.16804 0.11315 0.05494 -0.03374 181 2S -0.10700 0.14547 0.00684 0.04811 -0.02187 182 20 H 1S -0.04203 -0.01582 -0.04857 -0.00515 -0.01711 183 2S -0.07080 -0.03367 -0.02076 -0.01252 -0.01630 184 21 H 1S 0.00628 0.00554 0.00037 0.00047 0.00814 185 2S 0.00168 0.01749 -0.02522 -0.00330 -0.00102 186 22 O 1S -0.00565 0.00041 -0.00147 -0.00227 -0.00255 187 2S 0.01127 0.00081 0.01265 0.00259 0.00827 188 2PX 0.01522 0.05200 0.06642 -0.04264 0.05364 189 2PY -0.03204 -0.01185 -0.08438 0.02369 -0.03729 190 2PZ 0.03727 -0.03597 0.12313 0.03775 0.09300 191 3S 0.04454 -0.00896 0.00706 0.00402 0.01249 192 3PX 0.01234 0.03793 0.05161 -0.03407 0.03876 193 3PY -0.02821 -0.00614 -0.04880 0.01657 -0.02336 194 3PZ 0.03052 -0.03141 0.08587 0.02748 0.06544 195 4XX -0.00150 -0.00056 -0.00217 0.00102 -0.00133 196 4YY -0.00100 0.00123 0.00421 -0.00155 0.00129 197 4ZZ -0.00165 0.00094 -0.00084 0.00001 -0.00027 198 4XY 0.00024 -0.00203 -0.00144 0.00149 -0.00161 199 4XZ -0.00095 0.00026 -0.00097 -0.00037 -0.00063 200 4YZ -0.00038 0.00128 -0.00541 -0.00160 -0.00385 201 23 O 1S -0.01097 -0.00320 0.00273 0.00563 -0.00053 202 2S 0.02451 0.01173 -0.01888 -0.00597 -0.00586 203 2PX 0.04718 0.04700 -0.17238 0.00432 -0.01583 204 2PY 0.04178 0.03469 -0.12480 0.05298 -0.02887 205 2PZ 0.06669 0.02836 -0.26094 0.05729 -0.03930 206 3S 0.06117 -0.00703 0.00602 -0.02354 0.00968 207 3PX 0.03988 0.04784 -0.13208 0.00273 -0.00907 208 3PY 0.03510 0.01889 -0.06920 0.02643 -0.01229 209 3PZ 0.05681 0.02095 -0.18858 0.04555 -0.02175 210 4XX -0.00140 0.00107 0.00259 0.00020 0.00089 211 4YY -0.00144 0.00005 -0.00742 0.00343 -0.00259 212 4ZZ -0.00185 0.00154 0.00029 -0.00068 -0.00028 213 4XY -0.00065 -0.00242 -0.00286 -0.00079 -0.00169 214 4XZ -0.00132 0.00020 0.00127 0.00004 0.00004 215 4YZ -0.00065 -0.00155 -0.00843 0.00077 -0.00382 126 127 128 129 130 126 3PZ 0.10580 127 4XX 0.00140 0.00068 128 4YY 0.00141 -0.00011 0.00077 129 4ZZ -0.00144 0.00043 -0.00020 0.00072 130 4XY -0.00725 0.00000 0.00002 0.00002 0.00111 131 4XZ 0.00081 0.00005 -0.00033 0.00015 -0.00018 132 4YZ -0.00009 -0.00001 0.00003 0.00002 0.00054 133 15 C 1S -0.00574 0.00255 -0.00590 0.00277 -0.00005 134 2S 0.00391 -0.00590 0.01036 -0.00633 -0.00006 135 2PX -0.09190 -0.00103 -0.00027 0.00180 0.01375 136 2PY -0.01302 0.00953 -0.00540 0.01005 0.00124 137 2PZ 0.09559 0.00151 -0.00014 -0.00113 0.00080 138 3S 0.00733 -0.00370 0.01092 -0.00489 0.00009 139 3PX -0.06542 -0.00093 0.00003 0.00072 0.00750 140 3PY -0.00933 0.00228 -0.00234 0.00272 -0.00031 141 3PZ 0.06237 0.00048 0.00023 -0.00084 -0.00179 142 4XX 0.00048 0.00036 -0.00030 0.00031 -0.00001 143 4YY 0.00023 -0.00030 0.00006 -0.00027 -0.00003 144 4ZZ -0.00084 0.00031 -0.00027 0.00039 0.00014 145 4XY 0.00179 0.00001 0.00003 -0.00014 0.00039 146 4XZ -0.00008 0.00006 0.00017 0.00005 0.00008 147 4YZ -0.00726 -0.00016 0.00000 0.00004 0.00095 148 16 C 1S 0.00400 -0.00040 -0.00047 -0.00030 0.00145 149 2S -0.00003 0.00101 0.00098 0.00082 -0.00300 150 2PX 0.00435 0.00022 0.00147 0.00081 -0.00209 151 2PY -0.00398 0.00005 -0.00208 -0.00018 0.00330 152 2PZ 0.00249 0.00083 0.00193 0.00036 -0.00636 153 3S 0.00209 0.00082 0.00027 0.00150 -0.00427 154 3PX 0.01165 0.00037 0.00005 0.00048 0.00018 155 3PY 0.00173 0.00088 -0.00058 0.00063 0.00167 156 3PZ 0.00375 0.00037 0.00018 0.00013 -0.00164 157 4XX -0.00300 0.00002 0.00003 0.00004 0.00039 158 4YY -0.00025 -0.00024 0.00007 -0.00022 0.00004 159 4ZZ 0.00408 0.00009 0.00006 0.00002 -0.00023 160 4XY 0.00559 0.00013 -0.00019 -0.00002 0.00010 161 4XZ -0.00126 0.00001 0.00013 0.00003 0.00009 162 4YZ -0.00251 -0.00001 -0.00025 0.00014 0.00053 163 17 C 1S -0.00490 -0.00017 0.00007 -0.00003 -0.00038 164 2S 0.00589 0.00004 0.00003 -0.00017 0.00097 165 2PX 0.02077 -0.00069 -0.00094 0.00112 0.00074 166 2PY -0.00883 0.00066 -0.00075 0.00008 0.00187 167 2PZ -0.01398 0.00079 -0.00008 -0.00043 0.00148 168 3S 0.01403 0.00029 -0.00008 -0.00083 0.00418 169 3PX 0.01301 -0.00034 -0.00068 0.00049 0.00124 170 3PY -0.00677 0.00036 -0.00035 0.00012 0.00117 171 3PZ -0.00468 0.00064 0.00006 -0.00039 0.00120 172 4XX -0.00089 -0.00003 0.00000 0.00008 0.00004 173 4YY -0.00006 0.00002 -0.00004 0.00002 0.00004 174 4ZZ 0.00063 0.00003 0.00003 -0.00001 -0.00018 175 4XY -0.00078 0.00002 0.00005 -0.00015 0.00015 176 4XZ 0.00024 0.00003 0.00002 -0.00001 -0.00009 177 4YZ -0.00131 -0.00014 0.00001 0.00001 0.00006 178 18 H 1S -0.01549 -0.00140 0.00085 -0.00086 0.00076 179 2S -0.02485 -0.00151 -0.00036 -0.00080 0.00123 180 19 H 1S 0.06141 0.00093 -0.00280 0.00172 -0.00925 181 2S 0.05033 0.00255 -0.00258 0.00275 -0.00826 182 20 H 1S -0.00821 0.00094 0.00165 0.00106 0.00675 183 2S -0.01493 0.00156 -0.00100 0.00187 0.00672 184 21 H 1S 0.00626 0.00034 -0.00001 0.00006 -0.00063 185 2S 0.01185 0.00078 0.00004 0.00027 -0.00212 186 22 O 1S -0.00345 0.00013 0.00023 0.00018 0.00006 187 2S 0.00673 -0.00011 -0.00036 -0.00028 -0.00001 188 2PX 0.05684 -0.00005 0.00046 -0.00116 0.00063 189 2PY -0.00631 -0.00017 0.00084 0.00022 -0.00098 190 2PZ -0.02509 -0.00141 0.00001 -0.00072 0.00290 191 3S 0.00443 -0.00125 0.00035 -0.00146 -0.00076 192 3PX 0.04072 0.00000 0.00020 -0.00094 0.00054 193 3PY -0.00443 0.00016 0.00029 0.00049 -0.00038 194 3PZ -0.01999 -0.00119 -0.00007 -0.00058 0.00262 195 4XX -0.00073 0.00003 -0.00002 0.00005 0.00006 196 4YY 0.00056 0.00009 -0.00007 0.00007 0.00004 197 4ZZ 0.00050 0.00003 0.00000 0.00004 0.00000 198 4XY -0.00250 -0.00001 -0.00006 0.00002 0.00004 199 4XZ 0.00028 0.00003 -0.00001 0.00002 0.00003 200 4YZ 0.00124 0.00002 -0.00003 0.00000 0.00004 201 23 O 1S 0.00520 -0.00017 -0.00115 -0.00021 -0.00021 202 2S -0.00411 0.00037 0.00219 0.00040 0.00022 203 2PX 0.02897 -0.00331 0.00153 0.00339 -0.00635 204 2PY 0.06595 -0.00264 0.00785 0.00027 0.00163 205 2PZ 0.01885 0.00201 0.00609 -0.00473 0.00598 206 3S -0.02267 -0.00011 0.00165 -0.00071 -0.00010 207 3PX 0.02914 -0.00181 0.00142 0.00204 -0.00472 208 3PY 0.03741 -0.00173 0.00448 -0.00019 0.00061 209 3PZ 0.01190 0.00118 0.00420 -0.00291 0.00369 210 4XX -0.00038 0.00011 -0.00014 -0.00004 -0.00003 211 4YY 0.00357 -0.00014 0.00035 0.00021 0.00016 212 4ZZ 0.00021 0.00006 -0.00010 -0.00004 -0.00007 213 4XY -0.00129 -0.00029 -0.00004 0.00022 -0.00023 214 4XZ -0.00003 -0.00003 -0.00008 0.00009 -0.00011 215 4YZ 0.00000 0.00012 0.00026 -0.00032 0.00049 131 132 133 134 135 131 4XZ 0.00067 132 4YZ -0.00020 0.00126 133 15 C 1S 0.00086 -0.00005 2.05475 134 2S -0.00198 -0.00011 -0.06605 0.33272 135 2PX -0.00037 0.00050 -0.00082 -0.00025 0.36087 136 2PY 0.00297 0.00122 -0.00119 0.00064 0.00456 137 2PZ 0.00007 0.01400 -0.00081 -0.00125 0.05353 138 3S -0.00383 0.00048 -0.19823 0.31900 -0.04174 139 3PX -0.00027 -0.00176 0.00560 -0.00114 0.19086 140 3PY 0.00173 -0.00014 -0.00084 0.00938 -0.01064 141 3PZ -0.00009 0.00726 0.00403 0.00281 -0.02381 142 4XX 0.00006 0.00016 -0.01487 -0.00867 -0.00092 143 4YY 0.00017 0.00000 -0.01819 -0.00058 0.00110 144 4ZZ 0.00005 -0.00004 -0.01597 -0.00659 0.00278 145 4XY -0.00008 0.00095 -0.00144 0.00268 0.00223 146 4XZ 0.00003 0.00010 -0.00466 0.00944 0.00127 147 4YZ -0.00010 0.00058 -0.00151 0.00291 0.01564 148 16 C 1S -0.00006 0.00170 0.01383 -0.02919 0.03984 149 2S 0.00028 -0.00346 -0.02711 0.05106 -0.08444 150 2PX 0.00015 -0.00614 -0.03908 0.07867 -0.04564 151 2PY -0.00055 0.00469 0.03448 -0.06331 0.08540 152 2PZ 0.00082 -0.00377 -0.04763 0.09862 -0.16025 153 3S 0.00072 -0.00508 0.00156 0.02100 -0.07703 154 3PX 0.00029 -0.00123 0.00432 -0.00218 0.01981 155 3PY 0.00009 0.00213 0.00261 -0.01620 0.03068 156 3PZ 0.00054 -0.00037 0.00269 0.00355 -0.02939 157 4XX 0.00003 -0.00003 -0.00054 -0.00015 0.00969 158 4YY -0.00014 0.00006 0.00071 -0.00207 0.00088 159 4ZZ 0.00003 0.00025 -0.00291 0.00427 -0.00516 160 4XY 0.00004 0.00062 0.00546 -0.01075 0.00359 161 4XZ 0.00002 -0.00006 -0.00354 0.00629 0.00150 162 4YZ 0.00003 0.00021 0.00572 -0.01114 0.01286 163 17 C 1S 0.00017 -0.00044 -0.00575 0.01226 -0.01388 164 2S -0.00024 0.00104 0.01187 -0.02551 0.03172 165 2PX -0.00008 0.00119 0.01560 -0.03725 0.02563 166 2PY 0.00059 0.00155 0.00631 -0.01339 0.02105 167 2PZ 0.00054 0.00154 0.01455 -0.03214 0.04021 168 3S -0.00028 0.00373 0.02801 -0.06314 0.09766 169 3PX -0.00026 0.00131 0.00959 -0.02521 0.02735 170 3PY 0.00039 0.00137 0.00597 -0.00650 0.02914 171 3PZ 0.00029 0.00151 0.00731 -0.01698 0.02462 172 4XX 0.00001 -0.00015 -0.00039 0.00064 0.00055 173 4YY 0.00001 0.00003 0.00028 -0.00042 0.00211 174 4ZZ 0.00001 -0.00003 -0.00093 0.00206 -0.00549 175 4XY -0.00009 0.00011 0.00051 -0.00091 0.00208 176 4XZ 0.00003 -0.00008 -0.00054 0.00115 -0.00325 177 4YZ -0.00008 0.00015 0.00066 -0.00153 0.00057 178 18 H 1S -0.00119 0.00131 0.00033 -0.00082 -0.00506 179 2S -0.00077 0.00249 0.00449 -0.00950 -0.00819 180 19 H 1S 0.00829 -0.01053 0.01309 -0.02723 -0.01015 181 2S 0.00527 -0.00943 0.01513 -0.02764 -0.02588 182 20 H 1S 0.00002 0.00725 -0.06122 0.11759 0.15370 183 2S 0.00048 0.00709 -0.01072 0.02285 0.13457 184 21 H 1S 0.00015 -0.00074 -0.00677 0.01539 -0.01996 185 2S 0.00046 -0.00182 -0.01405 0.02922 -0.05174 186 22 O 1S 0.00010 -0.00004 -0.00262 0.00603 -0.00089 187 2S -0.00029 0.00036 0.00744 -0.01598 0.00511 188 2PX 0.00016 0.00307 0.02041 -0.04347 0.01828 189 2PY 0.00060 -0.00203 -0.01439 0.02499 -0.02275 190 2PZ -0.00023 0.00134 0.02563 -0.04848 0.05103 191 3S -0.00044 -0.00045 0.00086 -0.00177 -0.01488 192 3PX 0.00005 0.00289 0.01696 -0.03698 0.01219 193 3PY 0.00040 -0.00122 -0.00678 0.01173 -0.00655 194 3PZ -0.00031 0.00107 0.02023 -0.03976 0.04765 195 4XX 0.00001 0.00002 0.00023 -0.00050 0.00172 196 4YY -0.00001 0.00005 0.00065 -0.00117 0.00080 197 4ZZ 0.00001 0.00006 0.00018 -0.00047 0.00006 198 4XY -0.00001 0.00005 0.00022 -0.00015 0.00068 199 4XZ 0.00001 0.00002 -0.00004 0.00026 0.00065 200 4YZ -0.00001 0.00004 -0.00003 -0.00020 0.00201 201 23 O 1S 0.00004 -0.00044 0.00124 -0.00301 0.00159 202 2S -0.00058 0.00081 -0.00251 0.00586 -0.00332 203 2PX -0.00099 0.00575 -0.00596 0.01176 -0.05740 204 2PY -0.00364 0.00616 -0.00753 0.01929 -0.02073 205 2PZ -0.00110 -0.00164 -0.00948 0.01688 0.04708 206 3S -0.00031 -0.00025 -0.00881 0.01873 -0.01049 207 3PX -0.00084 0.00376 -0.00455 0.00989 -0.04749 208 3PY -0.00218 0.00343 -0.00580 0.01474 -0.01839 209 3PZ -0.00096 -0.00168 -0.00690 0.01331 0.03360 210 4XX 0.00000 -0.00025 0.00024 -0.00077 0.00153 211 4YY -0.00008 0.00054 0.00020 -0.00018 -0.00079 212 4ZZ 0.00000 -0.00009 0.00032 -0.00090 0.00009 213 4XY -0.00003 0.00038 0.00010 -0.00020 -0.00182 214 4XZ 0.00003 0.00000 0.00022 -0.00042 -0.00040 215 4YZ 0.00001 0.00010 0.00000 0.00000 0.00198 136 137 138 139 140 136 2PY 0.44126 137 2PZ 0.00257 0.37297 138 3S 0.08119 -0.03699 0.46603 139 3PX -0.01353 -0.02199 -0.04109 0.11493 140 3PY 0.12001 -0.00624 -0.00956 -0.00531 0.06208 141 3PZ -0.01052 0.18495 -0.02633 -0.03309 -0.00289 142 4XX 0.00816 0.00333 -0.00581 -0.00110 0.00136 143 4YY -0.01162 0.00177 -0.00444 0.00129 -0.00140 144 4ZZ 0.01029 -0.00188 -0.00349 0.00134 0.00184 145 4XY 0.00080 0.01553 0.00312 -0.00157 -0.00016 146 4XZ 0.01042 0.00193 0.00939 0.00028 0.00238 147 4YZ 0.00097 0.00583 0.00300 0.00725 -0.00046 148 16 C 1S -0.03692 0.04794 0.02215 -0.00571 -0.01797 149 2S 0.08189 -0.09903 -0.01062 -0.00460 0.02667 150 2PX 0.08839 -0.15468 0.10988 -0.01433 0.05647 151 2PY -0.07495 0.11509 -0.11830 0.05514 0.02137 152 2PZ 0.11631 -0.09797 0.11357 -0.07367 0.07147 153 3S 0.06848 -0.09852 -0.01681 -0.00726 0.01596 154 3PX 0.01332 -0.02027 -0.00170 0.00873 0.00264 155 3PY 0.02403 0.04406 0.01181 0.00091 0.00198 156 3PZ 0.01284 0.00425 -0.01878 -0.00978 0.01177 157 4XX 0.00175 -0.00059 0.00149 0.00397 -0.00082 158 4YY -0.01239 0.00138 -0.00443 0.00102 -0.00173 159 4ZZ 0.00676 0.00672 0.01154 -0.00619 0.00026 160 4XY -0.00571 0.01437 -0.02258 0.00123 -0.00038 161 4XZ 0.00607 -0.00171 0.00535 0.00107 0.00157 162 4YZ -0.00486 0.00670 -0.02525 0.00786 -0.00003 163 17 C 1S 0.00747 -0.01521 0.02144 -0.00541 0.01024 164 2S -0.01644 0.03358 -0.05707 0.01684 -0.01019 165 2PX -0.01992 0.04962 -0.09144 0.01368 -0.03680 166 2PY -0.01616 0.01713 -0.03599 0.00917 -0.01373 167 2PZ -0.02264 0.03255 -0.08715 0.03424 -0.03488 168 3S -0.04055 0.09604 -0.16550 0.04213 -0.00278 169 3PX -0.00852 0.04224 -0.04539 0.00798 -0.02154 170 3PY -0.01435 0.02713 -0.00216 0.01548 -0.01961 171 3PZ -0.00733 0.02493 -0.03360 0.01275 -0.01592 172 4XX 0.00118 -0.00423 0.00109 0.00077 -0.00052 173 4YY -0.00089 0.00212 -0.00023 0.00136 0.00027 174 4ZZ 0.00198 -0.00171 0.00382 -0.00316 0.00140 175 4XY -0.00084 0.00102 -0.00279 0.00184 -0.00117 176 4XZ 0.00160 -0.00275 0.00020 -0.00128 0.00011 177 4YZ -0.00053 0.00244 -0.00410 0.00108 -0.00138 178 18 H 1S -0.00628 0.00554 0.00037 0.00046 -0.00814 179 2S -0.00168 0.01751 -0.02522 -0.00331 0.00102 180 19 H 1S 0.04203 -0.01582 -0.04856 -0.00516 0.01710 181 2S 0.07080 -0.03367 -0.02076 -0.01252 0.01629 182 20 H 1S 0.14356 0.16804 0.11315 0.05494 0.03374 183 2S 0.10702 0.14547 0.00684 0.04811 0.02187 184 21 H 1S 0.01010 -0.01908 0.03773 -0.01763 0.01969 185 2S 0.02782 -0.04029 0.07897 -0.03638 0.01793 186 22 O 1S 0.01097 -0.00320 0.00273 0.00563 0.00053 187 2S -0.02451 0.01173 -0.01889 -0.00597 0.00586 188 2PX -0.04718 0.04700 -0.17240 0.00433 0.01584 189 2PY 0.04177 -0.03468 0.12481 -0.05299 -0.02889 190 2PZ -0.06668 0.02836 -0.26094 0.05727 0.03931 191 3S -0.06117 -0.00702 0.00602 -0.02355 -0.00969 192 3PX -0.03988 0.04784 -0.13209 0.00273 0.00908 193 3PY 0.03509 -0.01888 0.06920 -0.02643 -0.01230 194 3PZ -0.05680 0.02096 -0.18859 0.04554 0.02175 195 4XX 0.00140 0.00107 0.00259 0.00020 -0.00089 196 4YY 0.00144 0.00005 -0.00742 0.00343 0.00259 197 4ZZ 0.00185 0.00154 0.00029 -0.00068 0.00028 198 4XY -0.00065 0.00242 0.00287 0.00079 -0.00169 199 4XZ 0.00132 0.00020 0.00127 0.00005 -0.00004 200 4YZ -0.00065 0.00155 0.00843 -0.00077 -0.00382 201 23 O 1S 0.00565 0.00041 -0.00147 -0.00227 0.00255 202 2S -0.01127 0.00081 0.01265 0.00259 -0.00827 203 2PX -0.01523 0.05200 0.06639 -0.04262 -0.05364 204 2PY -0.03204 0.01186 0.08437 -0.02368 -0.03728 205 2PZ -0.03726 -0.03598 0.12314 0.03776 -0.09300 206 3S -0.04454 -0.00897 0.00706 0.00402 -0.01249 207 3PX -0.01234 0.03793 0.05160 -0.03406 -0.03876 208 3PY -0.02821 0.00614 0.04880 -0.01657 -0.02336 209 3PZ -0.03051 -0.03142 0.08588 0.02748 -0.06544 210 4XX 0.00150 -0.00056 -0.00217 0.00102 0.00133 211 4YY 0.00100 0.00123 0.00421 -0.00155 -0.00129 212 4ZZ 0.00165 0.00094 -0.00084 0.00001 0.00027 213 4XY 0.00024 0.00203 0.00144 -0.00149 -0.00161 214 4XZ 0.00095 0.00026 -0.00097 -0.00037 0.00063 215 4YZ -0.00038 -0.00128 0.00541 0.00160 -0.00385 141 142 143 144 145 141 3PZ 0.10581 142 4XX 0.00140 0.00068 143 4YY 0.00141 -0.00011 0.00077 144 4ZZ -0.00144 0.00043 -0.00020 0.00072 145 4XY 0.00725 0.00000 -0.00002 -0.00002 0.00111 146 4XZ 0.00081 0.00005 -0.00033 0.00015 0.00018 147 4YZ 0.00009 0.00001 -0.00003 -0.00002 0.00054 148 16 C 1S -0.00328 -0.00091 0.00017 -0.00245 0.00338 149 2S -0.00867 0.00121 -0.00183 0.00401 -0.00659 150 2PX -0.07118 -0.00657 -0.00076 0.00278 -0.00293 151 2PY 0.06943 -0.00112 0.00938 -0.00322 0.00120 152 2PZ -0.03647 0.00087 -0.00081 -0.00500 -0.00755 153 3S -0.01570 0.00127 -0.00233 0.00308 -0.00723 154 3PX -0.01208 -0.00188 -0.00061 0.00228 0.00076 155 3PY 0.00760 0.00112 -0.00081 -0.00013 0.00247 156 3PZ 0.00692 0.00162 0.00070 -0.00214 -0.00271 157 4XX -0.00334 0.00007 -0.00024 0.00004 0.00017 158 4YY 0.00098 -0.00019 0.00057 -0.00034 -0.00011 159 4ZZ 0.00218 0.00004 -0.00041 0.00001 0.00057 160 4XY 0.00823 0.00016 0.00025 0.00026 0.00067 161 4XZ -0.00118 0.00003 -0.00021 0.00008 -0.00007 162 4YZ 0.00214 0.00032 0.00023 0.00006 -0.00011 163 17 C 1S -0.00518 -0.00091 0.00029 -0.00065 -0.00047 164 2S 0.01523 0.00172 -0.00040 0.00114 0.00098 165 2PX 0.03352 0.00069 -0.00273 0.00501 0.00243 166 2PY 0.00350 0.00172 -0.00048 0.00083 0.00012 167 2PZ 0.02090 0.00479 -0.00168 0.00071 0.00024 168 3S 0.02881 0.00298 -0.00007 0.00151 0.00442 169 3PX 0.01955 0.00011 -0.00159 0.00286 0.00247 170 3PY 0.01374 0.00080 0.00049 0.00000 0.00037 171 3PZ 0.00807 0.00248 -0.00109 0.00016 0.00138 172 4XX -0.00193 -0.00008 -0.00012 0.00020 -0.00010 173 4YY 0.00127 -0.00005 0.00017 -0.00008 0.00002 174 4ZZ -0.00069 0.00003 0.00001 -0.00016 -0.00016 175 4XY 0.00095 0.00011 -0.00001 0.00015 0.00010 176 4XZ -0.00092 0.00006 -0.00013 0.00012 -0.00011 177 4YZ 0.00212 0.00018 -0.00005 0.00007 0.00001 178 18 H 1S 0.00626 0.00034 -0.00001 0.00006 0.00063 179 2S 0.01186 0.00078 0.00004 0.00027 0.00212 180 19 H 1S -0.00821 0.00094 0.00165 0.00106 -0.00675 181 2S -0.01493 0.00157 -0.00100 0.00187 -0.00672 182 20 H 1S 0.06141 0.00093 -0.00280 0.00172 0.00925 183 2S 0.05033 0.00255 -0.00257 0.00275 0.00826 184 21 H 1S -0.01549 -0.00140 0.00085 -0.00086 -0.00076 185 2S -0.02486 -0.00151 -0.00036 -0.00080 -0.00123 186 22 O 1S 0.00520 -0.00017 -0.00115 -0.00021 0.00021 187 2S -0.00411 0.00037 0.00219 0.00040 -0.00022 188 2PX 0.02898 -0.00331 0.00153 0.00339 0.00635 189 2PY -0.06596 0.00264 -0.00785 -0.00027 0.00163 190 2PZ 0.01885 0.00201 0.00608 -0.00473 -0.00598 191 3S -0.02266 -0.00011 0.00165 -0.00071 0.00010 192 3PX 0.02914 -0.00181 0.00142 0.00204 0.00472 193 3PY -0.03741 0.00173 -0.00448 0.00019 0.00061 194 3PZ 0.01190 0.00118 0.00420 -0.00291 -0.00369 195 4XX -0.00038 0.00011 -0.00014 -0.00004 0.00003 196 4YY 0.00357 -0.00014 0.00035 0.00021 -0.00016 197 4ZZ 0.00021 0.00006 -0.00010 -0.00004 0.00007 198 4XY 0.00129 0.00029 0.00004 -0.00022 -0.00023 199 4XZ -0.00003 -0.00003 -0.00008 0.00009 0.00011 200 4YZ 0.00000 -0.00012 -0.00026 0.00032 0.00049 201 23 O 1S -0.00345 0.00013 0.00023 0.00018 -0.00006 202 2S 0.00673 -0.00011 -0.00036 -0.00028 0.00001 203 2PX 0.05685 -0.00005 0.00046 -0.00116 -0.00063 204 2PY 0.00632 0.00017 -0.00084 -0.00022 -0.00098 205 2PZ -0.02510 -0.00141 0.00001 -0.00073 -0.00290 206 3S 0.00442 -0.00125 0.00035 -0.00146 0.00076 207 3PX 0.04073 0.00000 0.00020 -0.00094 -0.00054 208 3PY 0.00444 -0.00016 -0.00029 -0.00049 -0.00038 209 3PZ -0.01999 -0.00119 -0.00007 -0.00058 -0.00263 210 4XX -0.00073 0.00003 -0.00002 0.00005 -0.00006 211 4YY 0.00056 0.00009 -0.00007 0.00007 -0.00004 212 4ZZ 0.00051 0.00003 0.00000 0.00004 0.00000 213 4XY 0.00250 0.00001 0.00006 -0.00002 0.00004 214 4XZ 0.00028 0.00003 -0.00001 0.00002 -0.00003 215 4YZ -0.00124 -0.00002 0.00003 0.00000 0.00004 146 147 148 149 150 146 4XZ 0.00067 147 4YZ 0.00020 0.00126 148 16 C 1S -0.00322 0.00421 2.05392 149 2S 0.00650 -0.00805 -0.07106 0.35892 150 2PX -0.00004 -0.00758 0.00042 -0.00234 0.35088 151 2PY -0.00705 0.00099 0.00315 -0.00826 0.01830 152 2PZ 0.00253 -0.00540 0.00113 -0.00372 0.07308 153 3S 0.00411 -0.00742 -0.14863 0.25175 -0.00321 154 3PX -0.00013 -0.00185 0.00852 -0.00973 0.09899 155 3PY -0.00054 0.00285 0.06264 -0.08424 -0.01339 156 3PZ 0.00049 -0.00086 -0.00688 0.00947 -0.04583 157 4XX 0.00007 0.00058 -0.01176 -0.01381 -0.00148 158 4YY -0.00046 0.00001 -0.01515 -0.00380 -0.00053 159 4ZZ 0.00022 0.00014 -0.01176 -0.01366 0.00081 160 4XY -0.00016 -0.00025 -0.00067 0.00224 -0.00093 161 4XZ 0.00045 0.00016 -0.00267 0.00583 -0.00235 162 4YZ -0.00011 0.00054 0.00057 -0.00148 -0.01464 163 17 C 1S -0.00070 -0.00072 0.01430 -0.03013 0.04903 164 2S 0.00136 0.00136 -0.03003 0.05493 -0.09860 165 2PX 0.00314 0.00083 -0.04837 0.10200 -0.08238 166 2PY 0.00141 0.00092 -0.03622 0.08131 -0.11691 167 2PZ 0.00334 0.00240 -0.04281 0.09185 -0.16419 168 3S 0.00138 0.00425 0.02149 -0.00344 -0.13527 169 3PX 0.00134 0.00153 -0.00200 0.01793 -0.03623 170 3PY 0.00039 0.00134 -0.01944 0.03211 -0.06601 171 3PZ 0.00144 0.00176 0.00471 0.00731 -0.07120 172 4XX 0.00008 -0.00010 -0.00240 0.00395 0.00421 173 4YY -0.00013 0.00007 0.00050 -0.00236 0.00167 174 4ZZ 0.00000 -0.00020 -0.00068 0.00029 0.00028 175 4XY 0.00014 0.00004 -0.00402 0.00797 -0.00490 176 4XZ 0.00022 -0.00014 -0.00357 0.00741 -0.00343 177 4YZ 0.00013 0.00014 -0.00332 0.00643 -0.00771 178 18 H 1S 0.00015 0.00074 -0.00715 0.01651 -0.02616 179 2S 0.00046 0.00182 -0.00979 0.02055 -0.04144 180 19 H 1S 0.00002 -0.00725 -0.00870 0.01984 0.02050 181 2S 0.00048 -0.00709 -0.01165 0.02371 0.03373 182 20 H 1S 0.00829 0.01053 0.01118 -0.02464 -0.03223 183 2S 0.00527 0.00943 0.02051 -0.03681 -0.06363 184 21 H 1S -0.00119 -0.00131 0.01057 -0.02370 0.03594 185 2S -0.00077 -0.00249 0.01894 -0.03653 0.06587 186 22 O 1S 0.00004 0.00044 0.01198 -0.01352 -0.00588 187 2S -0.00058 -0.00081 -0.02019 0.02282 0.01441 188 2PX -0.00099 -0.00575 0.01446 -0.02848 0.19018 189 2PY 0.00364 0.00616 0.10094 -0.21650 -0.08669 190 2PZ -0.00110 0.00164 -0.00996 0.02136 -0.11511 191 3S -0.00031 0.00025 -0.01546 -0.03036 -0.00372 192 3PX -0.00084 -0.00377 0.00795 -0.01425 0.10942 193 3PY 0.00218 0.00343 0.05779 -0.11232 -0.04670 194 3PZ -0.00096 0.00168 -0.00550 0.01111 -0.08264 195 4XX 0.00000 0.00025 0.00417 -0.00502 -0.00432 196 4YY -0.00008 -0.00054 -0.00877 0.01901 0.00786 197 4ZZ 0.00000 0.00009 0.00428 -0.00521 -0.00084 198 4XY 0.00003 0.00038 -0.00201 0.00380 -0.01673 199 4XZ 0.00003 0.00000 0.00018 -0.00046 0.00202 200 4YZ -0.00001 0.00010 0.00135 -0.00244 0.00293 201 23 O 1S 0.00010 0.00004 -0.00038 0.00090 -0.00020 202 2S -0.00029 -0.00036 -0.00075 0.00026 0.00125 203 2PX 0.00016 -0.00307 -0.00016 0.00112 -0.00827 204 2PY -0.00060 -0.00203 -0.00199 0.00843 -0.00112 205 2PZ -0.00023 -0.00134 -0.00018 -0.00162 0.01108 206 3S -0.00044 0.00045 0.01075 -0.01489 -0.00149 207 3PX 0.00005 -0.00289 -0.00074 0.00215 -0.00364 208 3PY -0.00040 -0.00122 0.00103 0.00191 -0.00166 209 3PZ -0.00031 -0.00107 -0.00015 -0.00169 0.01013 210 4XX 0.00001 -0.00002 -0.00071 0.00063 0.00047 211 4YY -0.00001 -0.00005 -0.00048 0.00076 -0.00017 212 4ZZ 0.00001 -0.00006 -0.00072 0.00061 0.00030 213 4XY 0.00001 0.00005 -0.00001 -0.00006 -0.00089 214 4XZ 0.00001 -0.00002 -0.00013 0.00027 -0.00018 215 4YZ 0.00001 0.00004 -0.00006 0.00014 0.00017 151 152 153 154 155 151 2PY 0.42509 152 2PZ -0.01265 0.35654 153 3S -0.04101 0.01450 0.22042 154 3PX -0.02227 -0.04792 -0.01064 0.05209 155 3PY -0.00902 0.00455 -0.05839 0.00018 0.03647 156 3PZ 0.01335 0.10197 0.01064 -0.03074 -0.00020 157 4XX -0.01380 -0.00163 -0.00733 0.00230 0.00509 158 4YY 0.01736 0.00106 -0.00677 -0.00228 -0.00275 159 4ZZ -0.01484 0.00237 -0.00691 0.00094 0.00475 160 4XY 0.00290 -0.01475 -0.00141 0.00605 -0.00024 161 4XZ -0.00756 0.00237 0.00402 -0.00075 -0.00027 162 4YZ -0.00071 -0.00226 -0.00093 -0.00162 0.00093 163 17 C 1S 0.03345 0.03986 0.01049 -0.00683 -0.00869 164 2S -0.05881 -0.07956 0.00991 -0.00251 -0.00755 165 2PX -0.11344 -0.16453 0.08717 0.01181 -0.03668 166 2PY -0.06407 -0.08370 0.06264 -0.01233 0.02131 167 2PZ -0.08368 -0.06004 0.07430 -0.02616 -0.02426 168 3S -0.11990 -0.11683 -0.04747 0.01863 0.02519 169 3PX -0.06383 -0.09355 0.01687 0.01174 -0.00859 170 3PY 0.01826 -0.04991 0.01980 -0.01055 0.00082 171 3PZ -0.06108 -0.02874 0.00296 -0.00368 0.00390 172 4XX -0.00303 -0.00344 0.00430 0.00200 -0.00088 173 4YY 0.00969 0.00113 -0.00247 -0.00071 -0.00095 174 4ZZ -0.00009 0.00747 0.00054 -0.00148 0.00166 175 4XY -0.00037 -0.00749 0.00504 -0.00040 -0.00196 176 4XZ -0.00750 -0.00137 0.00457 -0.00047 -0.00148 177 4YZ -0.00048 -0.00269 0.00689 -0.00270 -0.00189 178 18 H 1S -0.01591 -0.01421 0.03717 -0.01238 0.00066 179 2S -0.02336 -0.02512 0.03359 -0.01506 0.00190 180 19 H 1S -0.02158 0.02621 0.04565 0.01161 -0.00411 181 2S -0.03193 0.04402 0.04650 0.01256 -0.00530 182 20 H 1S 0.01466 -0.03619 -0.04028 0.00039 0.03065 183 2S -0.00998 -0.06801 -0.04595 0.00196 0.03043 184 21 H 1S 0.01178 0.02696 -0.03546 0.00774 0.02344 185 2S -0.00947 0.05527 -0.03513 0.00881 0.02090 186 22 O 1S -0.04791 0.00441 0.03099 -0.00006 0.00118 187 2S 0.10931 -0.01153 -0.07941 -0.00284 -0.02826 188 2PX -0.08794 -0.11281 -0.04187 0.13949 0.00953 189 2PY -0.37719 0.06854 -0.15589 -0.01123 0.06287 190 2PZ 0.06623 0.18703 0.01339 -0.04683 -0.00225 191 3S 0.02839 0.00359 -0.13610 -0.00642 -0.02987 192 3PX -0.04910 -0.08139 -0.02572 0.08943 0.00681 193 3PY -0.19828 0.03868 -0.08297 -0.00709 0.03558 194 3PZ 0.03833 0.10515 0.00580 -0.02799 -0.00147 195 4XX -0.00411 0.00086 -0.00142 -0.00144 0.00253 196 4YY 0.02077 -0.00615 0.01497 0.00208 -0.00434 197 4ZZ -0.00477 0.00280 -0.00172 0.00002 0.00255 198 4XY 0.00677 0.00289 0.00349 -0.00853 -0.00078 199 4XZ -0.00184 -0.00266 0.00004 0.00139 0.00044 200 4YZ -0.00489 -0.01710 -0.00211 0.00356 0.00040 201 23 O 1S 0.00037 0.00015 -0.00314 -0.00030 0.00210 202 2S 0.00237 -0.00068 0.00508 0.00102 0.00112 203 2PX 0.00275 0.01468 0.00510 0.02023 -0.00962 204 2PY -0.00815 0.00278 -0.00053 0.00202 0.01967 205 2PZ -0.00278 -0.00526 0.00701 0.02100 0.00375 206 3S -0.01328 -0.00077 -0.00883 0.00034 -0.00965 207 3PX 0.00219 0.01308 0.00385 0.01472 -0.00586 208 3PY -0.00863 0.00318 -0.00400 0.00088 0.00832 209 3PZ -0.00197 -0.00159 0.00701 0.01461 0.00104 210 4XX 0.00111 -0.00030 0.00061 -0.00008 -0.00013 211 4YY 0.00033 0.00039 0.00021 0.00007 0.00181 212 4ZZ 0.00118 -0.00030 0.00079 0.00019 -0.00013 213 4XY 0.00045 0.00032 0.00021 0.00051 -0.00059 214 4XZ -0.00012 0.00030 0.00042 -0.00008 -0.00005 215 4YZ -0.00031 -0.00094 -0.00016 0.00080 0.00055 156 157 158 159 160 156 3PZ 0.05181 157 4XX -0.00083 0.00204 158 4YY 0.00145 -0.00101 0.00224 159 4ZZ -0.00130 0.00091 -0.00086 0.00197 160 4XY -0.00187 0.00044 -0.00009 -0.00059 0.00342 161 4XZ 0.00118 0.00021 -0.00057 0.00027 -0.00028 162 4YZ 0.00586 0.00038 0.00006 -0.00032 0.00139 163 17 C 1S -0.00530 -0.00256 0.00093 -0.00098 -0.00529 164 2S 0.00239 0.00356 -0.00245 0.00037 0.00977 165 2PX -0.02633 -0.00820 -0.00062 0.00107 0.00520 166 2PY -0.00809 0.00661 -0.01290 0.00253 0.00362 167 2PZ 0.01753 0.00597 -0.00267 -0.01043 0.01263 168 3S 0.00538 0.01387 -0.00700 0.00157 0.02525 169 3PX -0.01651 -0.00443 0.00041 0.00298 0.00197 170 3PY -0.00061 0.00077 -0.00247 -0.00097 0.00002 171 3PZ 0.00443 0.00719 -0.00313 -0.00337 0.00878 172 4XX -0.00233 -0.00002 -0.00022 -0.00016 0.00003 173 4YY 0.00046 -0.00046 0.00071 -0.00032 -0.00025 174 4ZZ 0.00201 0.00006 -0.00026 0.00030 -0.00047 175 4XY -0.00169 -0.00009 -0.00010 -0.00045 0.00043 176 4XZ 0.00021 -0.00006 -0.00037 0.00017 -0.00003 177 4YZ 0.00071 -0.00036 0.00013 -0.00048 0.00014 178 18 H 1S -0.00518 0.00091 -0.00236 0.00004 0.00068 179 2S -0.00805 0.00105 -0.00298 0.00016 0.00217 180 19 H 1S 0.01357 -0.00005 -0.00227 0.00058 -0.00075 181 2S 0.01612 -0.00039 -0.00284 0.00120 -0.00265 182 20 H 1S -0.00821 0.00413 -0.00415 0.00485 0.00140 183 2S -0.00900 0.00500 -0.00355 0.00362 0.00601 184 21 H 1S -0.00018 0.00230 -0.00360 0.00647 -0.00324 185 2S -0.00286 0.00103 -0.00277 0.00711 -0.00741 186 22 O 1S 0.00036 0.00509 -0.01296 0.00527 -0.00272 187 2S 0.00025 -0.01121 0.02385 -0.01174 0.00556 188 2PX -0.04627 0.01353 -0.00842 -0.00051 0.04056 189 2PY 0.01374 0.01759 -0.00551 0.01941 -0.00819 190 2PZ 0.13648 0.00004 0.00503 -0.00805 0.01232 191 3S 0.00449 -0.00940 0.02828 -0.00949 0.00452 192 3PX -0.02800 0.00908 -0.00563 -0.00100 0.02889 193 3PY 0.00800 0.00908 -0.00257 0.01015 -0.00480 194 3PZ 0.08695 0.00043 0.00333 -0.00538 0.00940 195 4XX 0.00040 0.00045 -0.00048 0.00047 -0.00048 196 4YY -0.00201 -0.00105 -0.00017 -0.00119 0.00064 197 4ZZ 0.00092 0.00048 -0.00054 0.00054 -0.00007 198 4XY 0.00347 -0.00072 0.00046 -0.00022 -0.00158 199 4XZ -0.00156 0.00018 -0.00029 0.00017 0.00011 200 4YZ -0.00842 0.00018 -0.00030 0.00040 -0.00007 201 23 O 1S -0.00068 0.00011 -0.00036 0.00008 -0.00004 202 2S 0.00024 -0.00031 0.00118 -0.00004 0.00015 203 2PX 0.02683 -0.00054 -0.00129 0.00201 0.00310 204 2PY -0.00399 -0.00035 0.00244 0.00065 0.00113 205 2PZ 0.02330 0.00017 0.00104 -0.00131 -0.00332 206 3S 0.00138 0.00016 0.00191 -0.00024 0.00017 207 3PX 0.01911 -0.00044 -0.00102 0.00161 0.00218 208 3PY -0.00149 -0.00018 0.00163 0.00034 0.00081 209 3PZ 0.01669 -0.00001 0.00086 -0.00102 -0.00288 210 4XX -0.00022 -0.00001 -0.00005 -0.00006 -0.00006 211 4YY -0.00021 0.00000 0.00005 0.00007 0.00005 212 4ZZ 0.00014 -0.00008 -0.00006 0.00000 0.00001 213 4XY 0.00101 -0.00004 -0.00003 0.00005 0.00013 214 4XZ 0.00006 0.00002 -0.00006 0.00001 0.00003 215 4YZ 0.00061 0.00003 0.00002 -0.00004 -0.00008 161 162 163 164 165 161 4XZ 0.00061 162 4YZ 0.00036 0.00360 163 17 C 1S -0.00362 -0.00555 2.05568 164 2S 0.00645 0.01060 -0.05951 0.31929 165 2PX 0.00195 0.01504 -0.00296 0.00998 0.35918 166 2PY 0.00638 0.00448 -0.00292 0.00011 0.00506 167 2PZ -0.00168 0.00354 0.00372 -0.00840 0.03787 168 3S 0.00724 0.02373 -0.23337 0.34052 0.01473 169 3PX 0.00090 0.01027 0.00048 -0.00477 0.21734 170 3PY 0.00159 -0.00039 0.00472 0.00241 -0.00527 171 3PZ -0.00091 0.00046 -0.01462 0.00447 -0.02885 172 4XX -0.00012 -0.00036 -0.01278 -0.01075 0.00470 173 4YY -0.00028 -0.00022 -0.01643 -0.00194 -0.00161 174 4ZZ 0.00018 -0.00019 -0.01568 -0.00419 -0.00606 175 4XY 0.00003 -0.00011 -0.00032 0.00080 0.00272 176 4XZ 0.00047 0.00028 -0.00387 0.00785 0.00423 177 4YZ -0.00016 0.00034 0.00249 -0.00482 0.00994 178 18 H 1S -0.00013 -0.00003 0.01233 -0.02671 0.01146 179 2S 0.00003 0.00115 0.01577 -0.02923 0.02534 180 19 H 1S 0.00019 -0.00039 0.00074 -0.00095 0.00063 181 2S 0.00051 -0.00176 0.00640 -0.01071 -0.00120 182 20 H 1S 0.00429 0.00182 -0.00680 0.01426 0.02059 183 2S 0.00271 0.00711 -0.01485 0.02813 0.05277 184 21 H 1S 0.00507 0.00014 -0.06040 0.11598 -0.09479 185 2S 0.00292 -0.00560 -0.01006 0.02367 -0.08518 186 22 O 1S 0.00172 0.00167 -0.00276 0.00534 0.00291 187 2S -0.00378 -0.00334 0.00590 -0.01292 -0.00992 188 2PX -0.00219 0.01191 -0.02536 0.04073 0.01509 189 2PY 0.00442 0.00428 -0.01300 0.02148 0.03279 190 2PZ 0.00464 0.04300 -0.02342 0.04809 0.06474 191 3S -0.00377 -0.00283 0.00880 -0.00217 0.00449 192 3PX -0.00157 0.00907 -0.01958 0.03353 0.00896 193 3PY 0.00254 0.00230 -0.00725 0.00884 0.01718 194 3PZ 0.00321 0.03055 -0.01823 0.03921 0.06154 195 4XX 0.00008 0.00003 -0.00062 -0.00021 -0.00120 196 4YY -0.00014 -0.00038 0.00006 -0.00096 -0.00011 197 4ZZ 0.00010 0.00037 -0.00069 -0.00019 -0.00036 198 4XY 0.00014 -0.00005 -0.00004 0.00052 0.00154 199 4XZ 0.00002 -0.00022 -0.00002 0.00020 -0.00015 200 4YZ -0.00025 -0.00168 -0.00018 -0.00004 0.00203 201 23 O 1S -0.00002 0.00007 0.00116 -0.00274 -0.00069 202 2S -0.00014 -0.00018 -0.00232 0.00537 0.00192 203 2PX -0.00033 -0.00376 0.00801 -0.01239 -0.02515 204 2PY -0.00072 -0.00102 -0.00740 0.01879 -0.00354 205 2PZ 0.00019 0.00261 0.00932 -0.01407 0.03717 206 3S -0.00028 -0.00032 -0.00879 0.01637 0.00290 207 3PX -0.00024 -0.00320 0.00578 -0.01010 -0.02275 208 3PY -0.00052 -0.00086 -0.00545 0.01376 -0.00371 209 3PZ 0.00011 0.00179 0.00745 -0.01231 0.02791 210 4XX 0.00002 0.00004 0.00019 -0.00066 -0.00018 211 4YY -0.00003 -0.00005 0.00025 -0.00010 -0.00052 212 4ZZ -0.00001 0.00001 0.00029 -0.00080 0.00060 213 4XY -0.00002 -0.00009 -0.00001 0.00006 -0.00080 214 4XZ 0.00001 -0.00003 0.00019 -0.00034 -0.00051 215 4YZ 0.00001 0.00012 0.00008 0.00001 0.00143 166 167 168 169 170 166 2PY 0.42057 167 2PZ -0.00976 0.38844 168 3S 0.07885 0.06716 0.55219 169 3PX -0.00155 -0.02305 0.00104 0.14604 170 3PY 0.13042 0.01741 -0.01282 -0.00733 0.07150 171 3PZ 0.01733 0.19501 0.07381 -0.03722 0.01106 172 4XX 0.00542 0.00409 -0.00898 0.00229 0.00089 173 4YY -0.01322 -0.00057 -0.00621 -0.00092 -0.00199 174 4ZZ 0.01175 -0.00724 -0.00269 -0.00287 0.00270 175 4XY 0.00299 0.01060 0.00210 0.00018 0.00232 176 4XZ 0.00772 -0.00204 0.00806 0.00192 0.00230 177 4YZ -0.00267 0.01181 -0.00550 0.00461 -0.00064 178 18 H 1S 0.03917 0.01263 -0.04698 0.00651 0.02110 179 2S 0.06274 0.02819 -0.02018 0.01355 0.01611 180 19 H 1S -0.00861 -0.00274 -0.00771 -0.00382 -0.00592 181 2S -0.00618 -0.01197 -0.04023 -0.00437 0.00158 182 20 H 1S 0.00870 0.01858 0.04516 0.02150 0.01479 183 2S 0.02486 0.04347 0.08861 0.04109 0.01265 184 21 H 1S 0.13179 -0.21152 0.11213 -0.03927 0.03216 185 2S 0.09673 -0.18160 -0.00280 -0.03306 0.02219 186 22 O 1S 0.01027 0.00120 0.00201 -0.00422 0.00139 187 2S -0.02336 -0.00540 -0.02016 0.00454 0.00300 188 2PX 0.06184 0.06340 0.26801 0.00922 -0.03052 189 2PY 0.03618 0.01805 0.11174 0.05172 -0.02310 190 2PZ 0.04729 0.00620 0.19645 0.05347 -0.01925 191 3S -0.05466 0.01155 0.00363 0.01891 -0.01020 192 3PX 0.05372 0.05602 0.19405 0.00355 -0.01538 193 3PY 0.02916 0.00298 0.05640 0.02920 -0.00974 194 3PZ 0.03921 0.00365 0.14708 0.04799 -0.01176 195 4XX 0.00161 0.00019 0.00019 -0.00029 0.00040 196 4YY 0.00124 -0.00044 -0.00637 -0.00270 0.00204 197 4ZZ 0.00131 -0.00185 0.00279 0.00060 -0.00085 198 4XY 0.00080 0.00156 -0.00855 0.00029 0.00340 199 4XZ 0.00119 -0.00033 0.00066 -0.00015 0.00030 200 4YZ 0.00037 0.00164 -0.00407 0.00071 0.00185 201 23 O 1S 0.00565 -0.00104 -0.00167 0.00161 0.00194 202 2S -0.01222 0.00009 0.01150 -0.00229 -0.00805 203 2PX 0.04466 0.01502 -0.11203 -0.01615 0.09698 204 2PY -0.03075 0.00740 0.07054 -0.00335 -0.03527 205 2PZ 0.00953 -0.02054 -0.09387 0.04199 0.05296 206 3S -0.03909 0.01524 0.01264 -0.00546 -0.01079 207 3PX 0.03663 0.00837 -0.07837 -0.01433 0.06899 208 3PY -0.02576 0.01012 0.04086 -0.00411 -0.02084 209 3PZ 0.00746 -0.01873 -0.07311 0.02972 0.03759 210 4XX 0.00137 -0.00087 -0.00061 0.00012 0.00017 211 4YY 0.00069 -0.00021 0.00289 -0.00032 -0.00108 212 4ZZ 0.00120 -0.00123 -0.00255 0.00080 0.00114 213 4XY 0.00065 0.00073 -0.00476 -0.00048 0.00386 214 4XZ 0.00089 0.00037 -0.00040 -0.00051 0.00042 215 4YZ -0.00020 -0.00045 -0.00242 0.00206 0.00172 171 172 173 174 175 171 3PZ 0.11601 172 4XX 0.00164 0.00093 173 4YY -0.00146 -0.00013 0.00091 174 4ZZ -0.00253 0.00020 -0.00025 0.00090 175 4XY 0.00485 0.00012 -0.00001 -0.00025 0.00093 176 4XZ -0.00126 -0.00015 -0.00030 0.00016 0.00018 177 4YZ 0.00387 0.00037 0.00011 -0.00030 0.00036 178 18 H 1S 0.00997 0.00135 0.00186 0.00066 0.00344 179 2S 0.01770 0.00221 -0.00094 0.00114 0.00371 180 19 H 1S -0.00548 0.00037 -0.00005 0.00042 -0.00073 181 2S -0.01122 0.00072 -0.00002 0.00098 -0.00224 182 20 H 1S 0.01577 -0.00068 0.00080 -0.00163 0.00111 183 2S 0.03017 -0.00039 -0.00050 -0.00223 0.00171 184 21 H 1S -0.08494 -0.00523 -0.00404 0.00768 -0.00529 185 2S -0.07424 -0.00223 -0.00323 0.00734 -0.00537 186 22 O 1S -0.00517 -0.00033 -0.00117 0.00000 -0.00035 187 2S 0.00340 0.00089 0.00258 0.00039 0.00061 188 2PX 0.08662 0.00461 -0.00725 -0.00261 0.00087 189 2PY 0.05180 -0.00097 -0.00753 0.00258 -0.00534 190 2PZ -0.01446 -0.00524 -0.00216 0.00372 -0.00415 191 3S 0.01954 0.00005 0.00221 -0.00064 -0.00034 192 3PX 0.06566 0.00286 -0.00505 -0.00163 0.00112 193 3PY 0.02471 -0.00028 -0.00424 0.00194 -0.00300 194 3PZ -0.01042 -0.00332 -0.00179 0.00207 -0.00255 195 4XX 0.00054 -0.00007 -0.00008 0.00009 -0.00010 196 4YY -0.00304 0.00024 0.00030 -0.00012 0.00047 197 4ZZ -0.00020 -0.00007 -0.00016 0.00013 -0.00020 198 4XY -0.00227 -0.00029 0.00031 0.00011 0.00014 199 4XZ 0.00033 0.00007 -0.00007 -0.00003 0.00004 200 4YZ 0.00189 0.00032 0.00001 -0.00035 0.00034 201 23 O 1S 0.00184 0.00016 0.00019 0.00015 -0.00003 202 2S -0.00317 -0.00031 -0.00026 -0.00015 0.00032 203 2PX 0.00945 -0.00021 -0.00024 0.00196 -0.00027 204 2PY 0.01028 -0.00031 -0.00034 0.00000 0.00181 205 2PZ -0.01828 0.00221 -0.00003 0.00083 -0.00367 206 3S 0.00326 -0.00095 0.00027 -0.00158 -0.00053 207 3PX 0.00663 -0.00025 -0.00017 0.00171 -0.00013 208 3PY 0.00902 -0.00042 0.00000 -0.00037 0.00095 209 3PZ -0.01613 0.00175 0.00008 0.00066 -0.00324 210 4XX -0.00056 0.00002 0.00000 0.00004 0.00005 211 4YY 0.00043 0.00004 -0.00004 0.00010 0.00006 212 4ZZ -0.00081 0.00004 -0.00001 0.00006 0.00000 213 4XY 0.00031 -0.00002 -0.00003 0.00004 0.00005 214 4XZ 0.00030 0.00001 -0.00001 0.00003 0.00002 215 4YZ -0.00034 0.00006 -0.00004 0.00001 0.00002 176 177 178 179 180 176 4XZ 0.00064 177 4YZ -0.00020 0.00124 178 18 H 1S -0.00020 0.00831 0.21432 179 2S 0.00016 0.00793 0.15590 0.13787 180 19 H 1S 0.00025 -0.00059 -0.01153 -0.02066 0.21482 181 2S 0.00040 -0.00169 -0.02117 -0.03442 0.15695 182 20 H 1S -0.00099 0.00107 0.00191 0.00856 -0.02337 183 2S -0.00032 0.00211 0.00814 0.02208 -0.02617 184 21 H 1S 0.00574 -0.01190 -0.02228 -0.02573 0.00191 185 2S 0.00341 -0.01004 -0.02573 -0.02916 0.00856 186 22 O 1S -0.00003 -0.00031 0.00149 0.00198 0.00161 187 2S -0.00049 0.00057 -0.00252 -0.00336 -0.00301 188 2PX -0.00077 -0.00391 0.01750 0.02867 -0.00961 189 2PY 0.00369 -0.00288 0.00863 0.01363 0.01210 190 2PZ 0.00211 0.00263 0.00254 0.01124 -0.01230 191 3S 0.00055 -0.00016 -0.01227 -0.01092 -0.01184 192 3PX -0.00046 -0.00210 0.01661 0.02527 -0.00993 193 3PY 0.00202 -0.00146 0.00812 0.01005 0.01079 194 3PZ 0.00172 0.00191 0.00337 0.01039 -0.01261 195 4XX -0.00005 0.00001 0.00060 0.00050 0.00041 196 4YY -0.00011 0.00023 0.00025 0.00003 0.00016 197 4ZZ -0.00003 -0.00009 0.00043 0.00044 0.00048 198 4XY 0.00011 0.00041 -0.00009 -0.00016 -0.00020 199 4XZ 0.00001 -0.00009 0.00007 0.00012 0.00007 200 4YZ -0.00005 -0.00006 0.00034 0.00030 -0.00015 201 23 O 1S 0.00008 -0.00001 0.00308 -0.00397 0.00327 202 2S -0.00027 -0.00001 -0.00637 0.00634 -0.00634 203 2PX 0.00077 -0.00343 0.00187 -0.02802 -0.00655 204 2PY -0.00024 0.00058 -0.01830 -0.04900 -0.01532 205 2PZ -0.00106 0.00019 0.02179 -0.03602 -0.01797 206 3S -0.00022 -0.00032 -0.01803 0.00677 -0.02239 207 3PX 0.00068 -0.00299 -0.00025 -0.02434 -0.00311 208 3PY -0.00009 0.00018 -0.01492 -0.03124 -0.01316 209 3PZ -0.00084 0.00012 0.01508 -0.02714 -0.01175 210 4XX 0.00001 -0.00002 0.00051 0.00065 0.00142 211 4YY -0.00001 0.00001 -0.00076 -0.00293 -0.00059 212 4ZZ -0.00001 0.00005 0.00149 0.00121 0.00099 213 4XY 0.00002 0.00001 0.00111 0.00098 -0.00112 214 4XZ 0.00001 0.00001 0.00059 0.00057 0.00090 215 4YZ -0.00002 0.00008 0.00176 -0.00012 -0.00182 181 182 183 184 185 181 2S 0.14023 182 20 H 1S -0.02617 0.21482 183 2S -0.03123 0.15695 0.14023 184 21 H 1S 0.00814 -0.01153 -0.02117 0.21432 185 2S 0.02208 -0.02066 -0.03443 0.15590 0.13787 186 22 O 1S 0.00265 0.00327 -0.00447 0.00308 -0.00397 187 2S -0.00549 -0.00634 0.00737 -0.00636 0.00634 188 2PX -0.02311 -0.00655 0.04000 0.00188 -0.02802 189 2PY 0.02059 0.01532 0.05046 0.01830 0.04901 190 2PZ -0.02263 -0.01797 0.02325 0.02179 -0.03602 191 3S -0.01103 -0.02239 0.00513 -0.01804 0.00677 192 3PX -0.02061 -0.00311 0.03074 -0.00025 -0.02434 193 3PY 0.01502 0.01316 0.03116 0.01492 0.03124 194 3PZ -0.02061 -0.01175 0.02065 0.01507 -0.02714 195 4XX 0.00039 0.00142 0.00122 0.00051 0.00065 196 4YY -0.00028 -0.00059 -0.00307 -0.00076 -0.00293 197 4ZZ 0.00044 0.00099 0.00123 0.00149 0.00121 198 4XY -0.00005 0.00112 -0.00033 -0.00111 -0.00098 199 4XZ 0.00011 0.00090 0.00066 0.00059 0.00057 200 4YZ -0.00022 0.00182 0.00119 -0.00176 0.00012 201 23 O 1S -0.00447 0.00161 0.00265 0.00149 0.00198 202 2S 0.00737 -0.00301 -0.00549 -0.00252 -0.00336 203 2PX 0.04001 -0.00961 -0.02311 0.01750 0.02866 204 2PY -0.05045 -0.01210 -0.02059 -0.00863 -0.01364 205 2PZ 0.02324 -0.01230 -0.02263 0.00254 0.01125 206 3S 0.00513 -0.01184 -0.01103 -0.01227 -0.01092 207 3PX 0.03075 -0.00993 -0.02061 0.01662 0.02526 208 3PY -0.03116 -0.01079 -0.01502 -0.00812 -0.01005 209 3PZ 0.02065 -0.01261 -0.02061 0.00337 0.01040 210 4XX 0.00122 0.00041 0.00039 0.00060 0.00050 211 4YY -0.00307 0.00016 -0.00028 0.00025 0.00003 212 4ZZ 0.00123 0.00048 0.00044 0.00043 0.00044 213 4XY 0.00033 0.00020 0.00005 0.00009 0.00016 214 4XZ 0.00066 0.00007 0.00011 0.00008 0.00012 215 4YZ -0.00119 0.00015 0.00022 -0.00034 -0.00030 186 187 188 189 190 186 22 O 1S 2.07870 187 2S -0.18242 0.50228 188 2PX -0.00535 0.01410 0.68665 189 2PY -0.04127 0.08228 0.00024 0.60050 190 2PZ 0.00325 -0.00850 0.13540 -0.01053 0.70002 191 3S -0.24486 0.59901 0.01775 0.24257 -0.00878 192 3PX -0.00422 0.01002 0.46898 -0.01103 0.10558 193 3PY -0.03471 0.06389 -0.00682 0.32746 -0.00477 194 3PZ 0.00255 -0.00580 0.10562 -0.00124 0.47855 195 4XX -0.01244 -0.00951 -0.00608 0.00547 -0.00172 196 4YY -0.01052 -0.01113 0.00331 -0.04158 -0.00188 197 4ZZ -0.01235 -0.00972 0.00199 0.00537 0.00450 198 4XY 0.00043 -0.00071 -0.03360 -0.00298 -0.00060 199 4XZ 0.00139 -0.00303 0.00305 -0.00024 -0.00473 200 4YZ -0.00036 0.00063 -0.00077 0.00208 -0.03374 201 23 O 1S 0.00020 -0.00028 -0.00001 0.00020 0.00001 202 2S -0.00028 0.00221 -0.00073 -0.00434 0.00027 203 2PX -0.00001 -0.00073 0.03810 -0.00767 -0.02650 204 2PY -0.00020 0.00434 0.00768 -0.00192 -0.00734 205 2PZ 0.00001 0.00027 -0.02650 0.00734 0.02926 206 3S -0.00139 -0.00211 0.00448 0.01445 -0.00331 207 3PX 0.00007 -0.00037 0.02823 -0.00666 -0.02153 208 3PY -0.00030 0.00145 0.00684 0.00267 -0.00649 209 3PZ 0.00008 0.00000 -0.02249 0.00552 0.02091 210 4XX 0.00005 0.00026 -0.00071 -0.00112 0.00048 211 4YY 0.00013 0.00025 0.00022 -0.00065 -0.00040 212 4ZZ 0.00005 0.00030 -0.00015 -0.00132 0.00005 213 4XY -0.00002 0.00002 0.00107 -0.00048 -0.00087 214 4XZ 0.00001 0.00001 0.00034 0.00006 -0.00033 215 4YZ 0.00003 -0.00003 -0.00093 0.00033 0.00091 191 192 193 194 195 191 3S 0.76573 192 3PX 0.00905 0.32259 193 3PY 0.14985 -0.01069 0.18078 194 3PZ -0.00393 0.08096 -0.00023 0.32936 195 4XX -0.01016 -0.00413 0.00285 -0.00121 0.00051 196 4YY -0.02361 0.00291 -0.02263 -0.00160 -0.00019 197 4ZZ -0.01036 0.00131 0.00273 0.00309 0.00042 198 4XY -0.00164 -0.02228 -0.00129 -0.00092 0.00029 199 4XZ -0.00376 0.00196 -0.00024 -0.00310 0.00004 200 4YZ 0.00116 -0.00103 0.00100 -0.02240 0.00007 201 23 O 1S -0.00139 0.00007 0.00030 0.00008 0.00005 202 2S -0.00211 -0.00037 -0.00145 0.00000 0.00026 203 2PX 0.00449 0.02823 -0.00684 -0.02248 -0.00071 204 2PY -0.01444 0.00666 0.00267 -0.00553 0.00112 205 2PZ -0.00331 -0.02153 0.00649 0.02091 0.00048 206 3S 0.01466 0.00215 0.00377 -0.00186 -0.00017 207 3PX 0.00215 0.02093 -0.00538 -0.01821 -0.00051 208 3PY -0.00377 0.00538 0.00209 -0.00482 0.00048 209 3PZ -0.00186 -0.01821 0.00482 0.01493 0.00035 210 4XX -0.00017 -0.00051 -0.00048 0.00035 -0.00002 211 4YY -0.00177 0.00030 0.00009 -0.00035 0.00009 212 4ZZ -0.00023 -0.00008 -0.00060 0.00001 -0.00003 213 4XY 0.00035 0.00086 -0.00039 -0.00072 -0.00003 214 4XZ -0.00007 0.00027 0.00006 -0.00027 0.00000 215 4YZ -0.00034 -0.00071 0.00029 0.00072 0.00002 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00016 0.00049 198 4XY 0.00001 -0.00012 0.00188 199 4XZ 0.00011 0.00004 -0.00020 0.00009 200 4YZ 0.00001 -0.00021 -0.00016 0.00028 0.00187 201 23 O 1S 0.00013 0.00005 0.00002 0.00001 -0.00003 202 2S 0.00025 0.00030 -0.00002 0.00001 0.00003 203 2PX 0.00022 -0.00015 -0.00107 0.00034 0.00093 204 2PY 0.00065 0.00132 -0.00048 -0.00006 0.00033 205 2PZ -0.00040 0.00005 0.00088 -0.00033 -0.00091 206 3S -0.00177 -0.00023 -0.00035 -0.00007 0.00034 207 3PX 0.00030 -0.00008 -0.00086 0.00027 0.00071 208 3PY -0.00009 0.00060 -0.00039 -0.00006 0.00029 209 3PZ -0.00035 0.00001 0.00072 -0.00027 -0.00072 210 4XX 0.00009 -0.00003 0.00003 0.00000 -0.00002 211 4YY 0.00011 0.00011 -0.00001 0.00001 0.00000 212 4ZZ 0.00011 -0.00002 0.00001 0.00000 0.00000 213 4XY 0.00001 -0.00001 -0.00001 0.00001 0.00003 214 4XZ 0.00001 0.00000 -0.00001 0.00001 0.00000 215 4YZ 0.00000 0.00000 0.00003 0.00000 -0.00001 201 202 203 204 205 201 23 O 1S 2.07870 202 2S -0.18242 0.50229 203 2PX -0.00535 0.01411 0.68666 204 2PY 0.04127 -0.08227 -0.00023 0.60051 205 2PZ 0.00325 -0.00850 0.13540 0.01054 0.70000 206 3S -0.24486 0.59901 0.01777 -0.24259 -0.00877 207 3PX -0.00422 0.01003 0.46898 0.01104 0.10558 208 3PY 0.03471 -0.06389 0.00683 0.32746 0.00478 209 3PZ 0.00255 -0.00580 0.10563 0.00125 0.47853 210 4XX -0.01244 -0.00951 -0.00609 -0.00547 -0.00172 211 4YY -0.01052 -0.01113 0.00331 0.04158 -0.00188 212 4ZZ -0.01235 -0.00972 0.00199 -0.00537 0.00450 213 4XY -0.00043 0.00071 0.03360 -0.00298 0.00060 214 4XZ 0.00139 -0.00303 0.00305 0.00024 -0.00474 215 4YZ 0.00036 -0.00063 0.00077 0.00208 0.03374 206 207 208 209 210 206 3S 0.76573 207 3PX 0.00906 0.32259 208 3PY -0.14986 0.01071 0.18078 209 3PZ -0.00392 0.08096 0.00024 0.32934 210 4XX -0.01016 -0.00414 -0.00285 -0.00121 0.00051 211 4YY -0.02361 0.00291 0.02263 -0.00160 -0.00019 212 4ZZ -0.01035 0.00131 -0.00272 0.00309 0.00042 213 4XY 0.00164 0.02228 -0.00129 0.00092 -0.00029 214 4XZ -0.00376 0.00196 0.00024 -0.00311 0.00004 215 4YZ -0.00116 0.00103 0.00100 0.02240 -0.00007 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00016 0.00049 213 4XY -0.00001 0.00012 0.00188 214 4XZ 0.00011 0.00004 0.00020 0.00009 215 4YZ -0.00001 0.00021 -0.00016 -0.00028 0.00187 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05187 2 2S -0.01211 0.31100 3 2PX 0.00000 0.00000 0.39924 4 2PY 0.00000 0.00000 0.00000 0.37722 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.41345 6 3S -0.03511 0.23762 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10379 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.09978 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.10176 10 4XX -0.00137 -0.00114 0.00000 0.00000 0.00000 11 4YY -0.00112 -0.00570 0.00000 0.00000 0.00000 12 4ZZ -0.00146 0.00043 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 H 1S -0.00160 0.02653 0.08878 0.00000 0.00659 17 2S -0.00024 0.00612 0.05500 0.00000 0.00383 18 3 H 1S -0.00182 0.02934 0.00039 0.00000 0.09844 19 2S -0.00076 0.01041 0.00020 0.00000 0.05910 20 4 C 1S 0.00000 -0.00020 -0.00032 -0.00084 -0.00028 21 2S -0.00019 0.00531 0.00638 0.01742 0.00516 22 2PX -0.00026 0.00467 -0.00005 0.01473 0.00480 23 2PY -0.00075 0.01421 0.01235 0.02242 0.01142 24 2PZ -0.00032 0.00663 0.00624 0.01724 0.00014 25 3S -0.00002 0.00557 0.00722 0.01278 0.00662 26 3PX -0.00012 0.00209 -0.00095 0.00845 0.00175 27 3PY -0.00075 0.00991 0.00496 0.00220 0.00458 28 3PZ -0.00009 0.00281 0.00258 0.00993 -0.00163 29 4XX 0.00000 -0.00005 -0.00016 0.00015 0.00007 30 4YY -0.00003 0.00074 0.00090 -0.00091 0.00084 31 4ZZ 0.00000 -0.00024 -0.00012 -0.00018 -0.00021 32 4XY -0.00005 0.00077 -0.00001 0.00077 0.00062 33 4XZ -0.00002 0.00030 -0.00001 0.00041 -0.00001 34 4YZ -0.00005 0.00089 0.00062 0.00074 0.00000 35 5 H 1S 0.00000 -0.00008 -0.00002 -0.00037 -0.00002 36 2S 0.00009 -0.00158 -0.00032 -0.00657 -0.00019 37 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 38 2S 0.00000 -0.00015 -0.00012 -0.00004 -0.00041 39 2PX 0.00000 -0.00018 0.00005 0.00004 -0.00026 40 2PY 0.00000 -0.00005 -0.00006 0.00000 -0.00008 41 2PZ 0.00000 -0.00027 -0.00032 -0.00027 -0.00051 42 3S 0.00013 -0.00244 -0.00149 0.00143 -0.00485 43 3PX 0.00009 -0.00176 -0.00003 0.00032 -0.00198 44 3PY 0.00001 -0.00009 0.00001 -0.00112 0.00051 45 3PZ 0.00014 -0.00166 -0.00153 0.00037 -0.00220 46 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 47 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 48 4ZZ 0.00000 0.00003 0.00006 0.00003 0.00009 49 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 50 4XZ 0.00000 0.00002 0.00001 0.00002 0.00006 51 4YZ 0.00000 0.00001 0.00002 0.00000 0.00004 52 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 0.00012 0.00011 0.00014 0.00025 54 8 C 1S 0.00000 -0.00020 -0.00032 -0.00084 -0.00028 55 2S -0.00019 0.00531 0.00638 0.01742 0.00516 56 2PX -0.00026 0.00467 -0.00005 0.01473 0.00480 57 2PY -0.00075 0.01421 0.01236 0.02242 0.01141 58 2PZ -0.00032 0.00663 0.00625 0.01724 0.00014 59 3S -0.00002 0.00557 0.00723 0.01278 0.00662 60 3PX -0.00012 0.00210 -0.00095 0.00845 0.00175 61 3PY -0.00075 0.00991 0.00496 0.00220 0.00458 62 3PZ -0.00009 0.00281 0.00258 0.00993 -0.00163 63 4XX 0.00000 -0.00005 -0.00016 0.00015 0.00007 64 4YY -0.00003 0.00074 0.00090 -0.00091 0.00084 65 4ZZ 0.00000 -0.00024 -0.00012 -0.00018 -0.00021 66 4XY -0.00005 0.00077 -0.00001 0.00077 0.00062 67 4XZ -0.00002 0.00030 -0.00001 0.00041 -0.00001 68 4YZ -0.00005 0.00089 0.00062 0.00074 0.00000 69 9 H 1S 0.00000 -0.00008 -0.00002 -0.00037 -0.00002 70 2S 0.00009 -0.00158 -0.00032 -0.00657 -0.00019 71 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 -0.00015 -0.00012 -0.00004 -0.00041 73 2PX 0.00000 -0.00018 0.00005 0.00004 -0.00026 74 2PY 0.00000 -0.00005 -0.00006 0.00000 -0.00008 75 2PZ 0.00000 -0.00027 -0.00032 -0.00027 -0.00051 76 3S 0.00013 -0.00244 -0.00149 0.00143 -0.00485 77 3PX 0.00009 -0.00176 -0.00003 0.00032 -0.00198 78 3PY 0.00001 -0.00009 0.00001 -0.00112 0.00051 79 3PZ 0.00014 -0.00166 -0.00153 0.00037 -0.00220 80 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 81 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 82 4ZZ 0.00000 0.00003 0.00006 0.00003 0.00009 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00002 0.00001 0.00002 0.00006 85 4YZ 0.00000 0.00001 0.00002 0.00000 0.00004 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00012 0.00011 0.00014 0.00025 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 -0.00002 -0.00006 0.00000 0.00000 90 2PX 0.00000 -0.00010 -0.00023 0.00000 -0.00001 91 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 92 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 93 3S 0.00003 -0.00077 -0.00156 0.00019 -0.00015 94 3PX 0.00010 -0.00190 -0.00286 0.00047 0.00008 95 3PY 0.00000 0.00013 0.00024 -0.00023 0.00005 96 3PZ 0.00001 -0.00021 -0.00043 0.00002 -0.00007 97 4XX 0.00000 0.00001 0.00003 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00001 0.00002 0.00000 0.00000 109 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 110 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00001 0.00002 0.00000 0.00000 154 3PX 0.00000 0.00000 -0.00002 0.00001 0.00000 155 3PY 0.00000 0.00001 0.00003 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00002 -0.00006 0.00000 0.00000 165 2PX 0.00000 -0.00010 -0.00023 0.00000 -0.00001 166 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 167 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 168 3S 0.00003 -0.00077 -0.00155 0.00019 -0.00015 169 3PX 0.00010 -0.00190 -0.00286 0.00047 0.00008 170 3PY 0.00000 0.00013 0.00024 -0.00023 0.00005 171 3PZ 0.00001 -0.00021 -0.00043 0.00002 -0.00007 172 4XX 0.00000 0.00001 0.00003 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00008 -0.00015 -0.00016 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00008 -0.00015 -0.00016 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.32788 7 3PX 0.00000 0.09214 8 3PY 0.00000 0.00000 0.08713 9 3PZ 0.00000 0.00000 0.00000 0.08814 10 4XX -0.00146 0.00000 0.00000 0.00000 0.00181 11 4YY -0.00439 0.00000 0.00000 0.00000 -0.00010 12 4ZZ 0.00170 0.00000 0.00000 0.00000 -0.00027 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 H 1S 0.03150 0.05938 0.00000 0.00416 0.00642 17 2S -0.00236 0.05479 0.00000 0.00389 0.00599 18 3 H 1S 0.03831 0.00029 0.00000 0.05905 -0.00094 19 2S 0.01741 0.00041 0.00000 0.05018 -0.00270 20 4 C 1S 0.00021 -0.00035 -0.00069 -0.00018 0.00001 21 2S 0.00379 0.00504 0.01116 0.00334 -0.00028 22 2PX 0.00754 -0.00237 0.01034 0.00386 -0.00008 23 2PY 0.02015 0.00696 0.00396 0.00611 -0.00017 24 2PZ 0.00527 0.00291 0.01161 -0.00103 -0.00009 25 3S -0.01278 0.00328 0.00223 0.00105 -0.00033 26 3PX 0.00459 -0.00370 0.00822 0.00231 -0.00035 27 3PY 0.00902 0.00218 -0.00192 0.00111 0.00020 28 3PZ -0.00060 0.00126 0.00800 -0.00034 -0.00005 29 4XX -0.00001 -0.00054 0.00046 0.00013 0.00002 30 4YY 0.00050 0.00038 -0.00073 0.00031 -0.00004 31 4ZZ -0.00009 0.00014 -0.00017 -0.00044 -0.00002 32 4XY 0.00052 -0.00002 0.00007 0.00018 0.00000 33 4XZ 0.00012 0.00008 0.00008 0.00007 0.00000 34 4YZ 0.00062 0.00019 0.00008 0.00000 -0.00002 35 5 H 1S -0.00269 -0.00042 -0.00382 -0.00033 0.00000 36 2S -0.00902 -0.00126 -0.01209 -0.00086 -0.00003 37 6 C 1S 0.00015 0.00008 0.00002 0.00020 0.00000 38 2S -0.00274 -0.00124 -0.00055 -0.00285 0.00000 39 2PX -0.00015 -0.00009 0.00005 0.00241 -0.00001 40 2PY -0.00200 -0.00094 -0.00026 -0.00107 0.00000 41 2PZ -0.00349 -0.00278 -0.00238 -0.00266 0.00001 42 3S -0.00821 -0.00268 0.00297 -0.00757 -0.00003 43 3PX -0.00028 -0.00237 0.00059 0.00387 -0.00019 44 3PY -0.00251 -0.00069 -0.00307 -0.00017 -0.00001 45 3PZ -0.00461 -0.00376 -0.00040 -0.00306 0.00011 46 4XX 0.00014 0.00002 0.00003 0.00019 0.00000 47 4YY -0.00015 -0.00008 -0.00002 -0.00018 0.00000 48 4ZZ 0.00038 0.00029 0.00009 0.00029 0.00000 49 4XY 0.00002 0.00000 0.00000 0.00005 0.00000 50 4XZ 0.00013 0.00000 0.00006 0.00015 0.00000 51 4YZ 0.00007 0.00003 -0.00009 0.00005 0.00000 52 7 H 1S 0.00012 0.00008 0.00010 0.00010 0.00000 53 2S 0.00188 0.00088 0.00118 0.00144 0.00000 54 8 C 1S 0.00021 -0.00035 -0.00069 -0.00018 0.00001 55 2S 0.00379 0.00504 0.01115 0.00333 -0.00028 56 2PX 0.00754 -0.00238 0.01035 0.00386 -0.00008 57 2PY 0.02015 0.00696 0.00396 0.00611 -0.00017 58 2PZ 0.00527 0.00291 0.01161 -0.00103 -0.00009 59 3S -0.01278 0.00329 0.00222 0.00105 -0.00033 60 3PX 0.00460 -0.00371 0.00822 0.00231 -0.00035 61 3PY 0.00902 0.00218 -0.00192 0.00110 0.00020 62 3PZ -0.00060 0.00126 0.00800 -0.00033 -0.00005 63 4XX -0.00001 -0.00054 0.00046 0.00013 0.00002 64 4YY 0.00050 0.00038 -0.00073 0.00031 -0.00004 65 4ZZ -0.00009 0.00013 -0.00017 -0.00044 -0.00002 66 4XY 0.00052 -0.00002 0.00007 0.00018 0.00000 67 4XZ 0.00012 0.00008 0.00008 0.00007 0.00000 68 4YZ 0.00062 0.00019 0.00008 0.00000 -0.00002 69 9 H 1S -0.00269 -0.00042 -0.00382 -0.00033 0.00000 70 2S -0.00902 -0.00126 -0.01209 -0.00086 -0.00003 71 10 C 1S 0.00015 0.00008 0.00002 0.00020 0.00000 72 2S -0.00274 -0.00124 -0.00055 -0.00284 0.00000 73 2PX -0.00015 -0.00009 0.00005 0.00241 -0.00001 74 2PY -0.00200 -0.00094 -0.00026 -0.00107 0.00000 75 2PZ -0.00349 -0.00278 -0.00237 -0.00266 0.00001 76 3S -0.00821 -0.00268 0.00297 -0.00757 -0.00003 77 3PX -0.00028 -0.00237 0.00059 0.00387 -0.00019 78 3PY -0.00251 -0.00069 -0.00307 -0.00017 -0.00001 79 3PZ -0.00460 -0.00376 -0.00040 -0.00306 0.00011 80 4XX 0.00014 0.00002 0.00003 0.00019 0.00000 81 4YY -0.00015 -0.00008 -0.00002 -0.00018 0.00000 82 4ZZ 0.00038 0.00029 0.00009 0.00029 0.00000 83 4XY 0.00002 0.00000 0.00000 0.00005 0.00000 84 4XZ 0.00013 0.00000 0.00006 0.00015 0.00000 85 4YZ 0.00007 0.00003 -0.00009 0.00005 0.00000 86 11 H 1S 0.00012 0.00008 0.00010 0.00010 0.00000 87 2S 0.00188 0.00088 0.00118 0.00144 0.00000 88 12 C 1S 0.00003 0.00004 0.00000 0.00001 0.00000 89 2S -0.00069 -0.00056 -0.00009 -0.00008 0.00000 90 2PX -0.00216 0.00004 -0.00016 -0.00020 0.00005 91 2PY -0.00006 0.00013 -0.00003 0.00011 0.00000 92 2PZ -0.00014 -0.00006 0.00003 -0.00023 0.00000 93 3S -0.00414 -0.00304 -0.00004 -0.00055 0.00018 94 3PX -0.00739 0.00007 0.00056 -0.00037 0.00059 95 3PY 0.00041 0.00038 -0.00055 0.00024 -0.00004 96 3PZ -0.00093 -0.00040 -0.00004 -0.00038 0.00008 97 4XX 0.00010 0.00023 0.00003 0.00002 0.00000 98 4YY -0.00002 -0.00002 0.00000 0.00000 0.00000 99 4ZZ -0.00001 -0.00005 -0.00001 -0.00001 0.00000 100 4XY -0.00001 0.00001 -0.00001 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00001 0.00000 0.00000 105 2PX 0.00003 -0.00002 0.00003 0.00001 0.00000 106 2PY 0.00001 0.00001 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 108 3S 0.00015 0.00002 0.00008 -0.00003 0.00000 109 3PX 0.00044 -0.00005 0.00025 0.00004 0.00000 110 3PY 0.00009 0.00024 0.00001 -0.00002 -0.00001 111 3PZ 0.00000 0.00003 0.00001 0.00008 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00001 0.00000 0.00001 0.00000 124 3PX 0.00001 0.00008 0.00001 0.00002 0.00000 125 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 126 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00001 0.00000 0.00001 0.00000 139 3PX 0.00001 0.00008 0.00001 0.00002 0.00000 140 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00000 150 2PX 0.00003 -0.00002 0.00003 0.00001 0.00000 151 2PY 0.00001 0.00001 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 3S 0.00015 0.00002 0.00008 -0.00003 0.00000 154 3PX 0.00043 -0.00005 0.00025 0.00004 0.00000 155 3PY 0.00009 0.00024 0.00001 -0.00002 -0.00001 156 3PZ 0.00000 0.00003 0.00001 0.00008 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00003 0.00004 0.00000 0.00001 0.00000 164 2S -0.00069 -0.00055 -0.00009 -0.00008 0.00000 165 2PX -0.00216 0.00004 -0.00016 -0.00020 0.00005 166 2PY -0.00006 0.00013 -0.00003 0.00011 0.00000 167 2PZ -0.00014 -0.00006 0.00003 -0.00023 0.00000 168 3S -0.00413 -0.00303 -0.00004 -0.00055 0.00018 169 3PX -0.00739 0.00007 0.00056 -0.00037 0.00059 170 3PY 0.00041 0.00038 -0.00055 0.00024 -0.00004 171 3PZ -0.00093 -0.00040 -0.00004 -0.00038 0.00008 172 4XX 0.00010 0.00023 0.00003 0.00002 0.00000 173 4YY -0.00002 -0.00002 0.00000 0.00000 0.00000 174 4ZZ -0.00001 -0.00005 -0.00001 -0.00001 0.00000 175 4XY -0.00001 0.00001 -0.00001 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00012 -0.00012 -0.00015 -0.00037 0.00000 179 2S -0.00023 -0.00039 -0.00057 -0.00079 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S -0.00012 -0.00012 -0.00015 -0.00037 0.00000 185 2S -0.00023 -0.00039 -0.00057 -0.00079 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00001 0.00001 0.00001 0.00000 0.00000 192 3PX 0.00005 0.00003 0.00004 0.00000 0.00000 193 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00001 0.00001 0.00001 0.00000 0.00000 207 3PX 0.00005 0.00003 0.00004 0.00000 0.00000 208 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00134 12 4ZZ -0.00017 0.00194 13 4XY 0.00000 0.00000 0.00090 14 4XZ 0.00000 0.00000 0.00000 0.00065 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00093 16 2 H 1S -0.00090 -0.00086 0.00000 0.00122 0.00000 17 2S -0.00194 -0.00228 0.00000 0.00026 0.00000 18 3 H 1S -0.00101 0.00743 0.00000 0.00002 0.00000 19 2S -0.00218 0.00652 0.00000 0.00000 0.00000 20 4 C 1S -0.00004 0.00000 -0.00005 -0.00002 -0.00005 21 2S 0.00096 -0.00012 0.00083 0.00030 0.00088 22 2PX 0.00052 -0.00009 -0.00006 0.00000 0.00085 23 2PY -0.00063 0.00000 0.00087 0.00061 0.00095 24 2PZ 0.00092 -0.00017 0.00077 -0.00001 -0.00004 25 3S 0.00207 -0.00110 0.00041 0.00014 0.00041 26 3PX 0.00043 0.00006 0.00026 0.00001 0.00028 27 3PY -0.00035 -0.00041 0.00003 0.00010 0.00006 28 3PZ 0.00059 -0.00039 0.00030 0.00000 0.00011 29 4XX -0.00006 -0.00003 0.00000 0.00000 -0.00003 30 4YY 0.00007 -0.00006 -0.00005 0.00003 -0.00006 31 4ZZ -0.00008 0.00003 -0.00002 0.00000 0.00000 32 4XY -0.00002 -0.00002 0.00001 0.00000 0.00004 33 4XZ -0.00001 0.00000 0.00001 0.00000 0.00000 34 4YZ -0.00001 0.00000 0.00003 0.00000 0.00000 35 5 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 36 2S 0.00040 -0.00010 -0.00008 -0.00001 -0.00005 37 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 38 2S 0.00000 0.00005 0.00000 0.00001 0.00001 39 2PX 0.00000 0.00010 -0.00001 0.00000 0.00003 40 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 41 2PZ -0.00002 0.00011 0.00001 0.00006 0.00004 42 3S -0.00014 0.00044 0.00005 -0.00003 0.00003 43 3PX -0.00004 0.00053 0.00000 0.00000 0.00007 44 3PY 0.00003 -0.00008 -0.00003 -0.00001 -0.00001 45 3PZ -0.00024 0.00038 0.00007 0.00007 -0.00001 46 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 47 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 48 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 49 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 50 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S 0.00000 -0.00002 0.00000 0.00000 -0.00001 54 8 C 1S -0.00004 0.00000 -0.00005 -0.00002 -0.00005 55 2S 0.00096 -0.00012 0.00083 0.00030 0.00088 56 2PX 0.00052 -0.00009 -0.00006 0.00000 0.00085 57 2PY -0.00063 0.00000 0.00087 0.00061 0.00095 58 2PZ 0.00092 -0.00017 0.00077 -0.00001 -0.00004 59 3S 0.00207 -0.00110 0.00041 0.00014 0.00041 60 3PX 0.00043 0.00006 0.00026 0.00001 0.00028 61 3PY -0.00035 -0.00041 0.00003 0.00010 0.00006 62 3PZ 0.00059 -0.00039 0.00030 0.00000 0.00011 63 4XX -0.00006 -0.00003 0.00000 0.00000 -0.00003 64 4YY 0.00007 -0.00006 -0.00005 0.00003 -0.00006 65 4ZZ -0.00008 0.00003 -0.00002 0.00000 0.00000 66 4XY -0.00002 -0.00002 0.00001 0.00000 0.00004 67 4XZ -0.00001 0.00000 0.00001 0.00000 0.00000 68 4YZ -0.00001 0.00000 0.00003 0.00000 0.00000 69 9 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 70 2S 0.00040 -0.00010 -0.00008 -0.00001 -0.00005 71 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 0.00005 0.00000 0.00001 0.00001 73 2PX 0.00000 0.00010 -0.00001 0.00000 0.00003 74 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 75 2PZ -0.00002 0.00011 0.00001 0.00006 0.00004 76 3S -0.00014 0.00044 0.00005 -0.00003 0.00003 77 3PX -0.00004 0.00053 0.00000 0.00000 0.00007 78 3PY 0.00003 -0.00008 -0.00003 -0.00001 -0.00001 79 3PZ -0.00024 0.00038 0.00007 0.00007 -0.00001 80 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 -0.00002 0.00000 0.00000 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S -0.00001 -0.00005 0.00002 0.00001 0.00000 94 3PX -0.00016 -0.00013 0.00013 0.00005 0.00001 95 3PY 0.00000 0.00001 -0.00001 0.00000 0.00000 96 3PZ -0.00001 -0.00001 0.00002 -0.00002 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S -0.00001 -0.00005 0.00002 0.00001 0.00000 169 3PX -0.00016 -0.00013 0.00013 0.00005 0.00001 170 3PY 0.00000 0.00001 -0.00001 0.00000 0.00000 171 3PZ -0.00001 -0.00001 0.00002 -0.00002 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 0.00001 -0.00001 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 H 1S 0.21008 17 2S 0.10345 0.14023 18 3 H 1S -0.00045 -0.00674 0.21453 19 2S -0.00663 -0.01760 0.10530 0.14144 20 4 C 1S 0.00000 0.00020 0.00000 0.00013 2.05589 21 2S -0.00019 -0.00342 -0.00009 -0.00188 -0.01386 22 2PX 0.00001 -0.00226 -0.00006 -0.00037 0.00000 23 2PY -0.00015 -0.00215 -0.00009 -0.00142 0.00000 24 2PZ -0.00006 -0.00050 -0.00025 -0.00470 0.00000 25 3S -0.00199 -0.00707 -0.00232 -0.01084 -0.03809 26 3PX -0.00105 -0.00492 -0.00028 0.00011 0.00000 27 3PY -0.00049 -0.00188 -0.00092 -0.00395 0.00000 28 3PZ -0.00038 -0.00062 -0.00162 -0.00613 0.00000 29 4XX 0.00009 0.00082 0.00000 -0.00013 -0.00087 30 4YY -0.00001 -0.00028 -0.00001 -0.00027 -0.00151 31 4ZZ 0.00000 -0.00007 0.00005 0.00075 -0.00109 32 4XY 0.00004 0.00005 0.00000 -0.00002 0.00000 33 4XZ 0.00001 -0.00001 0.00001 -0.00001 0.00000 34 4YZ 0.00000 -0.00002 0.00002 -0.00001 0.00000 35 5 H 1S 0.00000 -0.00004 0.00000 -0.00015 -0.00212 36 2S -0.00001 0.00013 -0.00014 -0.00084 -0.00144 37 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 38 2S 0.00000 -0.00003 0.00000 0.00018 -0.00049 39 2PX -0.00002 -0.00055 0.00000 0.00021 -0.00007 40 2PY 0.00000 0.00001 0.00000 0.00000 -0.00030 41 2PZ 0.00000 0.00006 0.00000 0.00028 -0.00224 42 3S 0.00003 0.00097 0.00013 0.00193 0.00087 43 3PX -0.00112 -0.00191 0.00009 0.00140 0.00024 44 3PY 0.00000 -0.00006 -0.00003 -0.00019 -0.00027 45 3PZ 0.00017 0.00027 0.00015 0.00130 -0.00036 46 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 47 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 48 4ZZ 0.00000 -0.00004 0.00000 -0.00002 -0.00017 49 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 50 4XZ 0.00000 -0.00004 0.00000 0.00000 -0.00003 51 4YZ 0.00000 -0.00001 0.00000 0.00000 -0.00007 52 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 53 2S -0.00001 -0.00020 0.00000 -0.00011 0.00020 54 8 C 1S 0.00000 0.00020 0.00000 0.00013 0.00000 55 2S -0.00019 -0.00342 -0.00009 -0.00188 0.00000 56 2PX 0.00001 -0.00226 -0.00006 -0.00037 0.00000 57 2PY -0.00015 -0.00215 -0.00009 -0.00142 0.00000 58 2PZ -0.00006 -0.00050 -0.00025 -0.00470 0.00000 59 3S -0.00199 -0.00708 -0.00232 -0.01084 0.00019 60 3PX -0.00105 -0.00491 -0.00028 0.00011 0.00000 61 3PY -0.00049 -0.00188 -0.00092 -0.00395 0.00030 62 3PZ -0.00038 -0.00062 -0.00162 -0.00613 0.00000 63 4XX 0.00009 0.00082 0.00000 -0.00013 0.00000 64 4YY -0.00001 -0.00028 -0.00001 -0.00027 0.00000 65 4ZZ 0.00000 -0.00007 0.00005 0.00075 0.00000 66 4XY 0.00004 0.00005 0.00000 -0.00002 0.00000 67 4XZ 0.00001 -0.00001 0.00001 -0.00001 0.00000 68 4YZ 0.00000 -0.00002 0.00002 -0.00001 0.00000 69 9 H 1S 0.00000 -0.00004 0.00000 -0.00015 0.00000 70 2S -0.00001 0.00013 -0.00014 -0.00084 0.00000 71 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 -0.00003 0.00000 0.00018 0.00000 73 2PX -0.00002 -0.00055 0.00000 0.00021 0.00000 74 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 75 2PZ 0.00000 0.00006 0.00000 0.00028 0.00000 76 3S 0.00003 0.00097 0.00013 0.00193 0.00006 77 3PX -0.00112 -0.00191 0.00009 0.00140 0.00000 78 3PY 0.00000 -0.00006 -0.00003 -0.00019 0.00008 79 3PZ 0.00017 0.00027 0.00015 0.00130 -0.00005 80 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 81 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 82 4ZZ 0.00000 -0.00004 0.00000 -0.00002 0.00000 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 85 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S -0.00001 -0.00020 0.00000 -0.00011 -0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00003 0.00000 -0.00005 0.00000 90 2PX 0.00000 0.00021 -0.00003 -0.00048 0.00000 91 2PY 0.00000 0.00000 0.00000 -0.00011 0.00000 92 2PZ 0.00000 0.00002 0.00000 0.00010 0.00000 93 3S 0.00002 0.00059 -0.00057 -0.00161 0.00000 94 3PX 0.00008 0.00226 -0.00056 -0.00041 0.00003 95 3PY 0.00000 -0.00008 0.00016 0.00006 0.00000 96 3PZ 0.00001 0.00029 0.00013 0.00041 0.00002 97 4XX 0.00000 -0.00001 0.00000 0.00002 0.00000 98 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00001 0.00000 0.00009 0.00000 109 3PX 0.00000 0.00000 0.00001 0.00014 0.00000 110 3PY 0.00000 -0.00001 0.00000 0.00009 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00001 0.00000 0.00009 0.00001 154 3PX 0.00000 0.00000 0.00001 0.00014 0.00003 155 3PY 0.00000 -0.00001 0.00000 0.00009 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00003 0.00000 -0.00005 0.00000 165 2PX 0.00000 0.00021 -0.00003 -0.00048 0.00000 166 2PY 0.00000 0.00000 0.00000 -0.00011 0.00000 167 2PZ 0.00000 0.00002 0.00000 0.00010 0.00000 168 3S 0.00002 0.00059 -0.00057 -0.00161 0.00015 169 3PX 0.00008 0.00226 -0.00056 -0.00041 0.00013 170 3PY 0.00000 -0.00008 0.00016 0.00006 0.00001 171 3PZ 0.00001 0.00029 0.00013 0.00041 -0.00003 172 4XX 0.00000 -0.00001 0.00000 0.00002 0.00000 173 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00001 0.00000 0.00020 0.00000 179 2S 0.00000 0.00004 0.00003 0.00128 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00001 0.00000 0.00020 0.00000 185 2S 0.00000 0.00004 0.00003 0.00128 0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 0.33144 22 2PX 0.00000 0.31533 23 2PY 0.00000 0.00000 0.42634 24 2PZ 0.00000 0.00000 0.00000 0.40305 25 3S 0.25289 0.00000 0.00000 0.00000 0.34772 26 3PX 0.00000 0.10657 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 0.07592 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.09841 0.00000 29 4XX -0.00987 0.00000 0.00000 0.00000 -0.00734 30 4YY 0.00216 0.00000 0.00000 0.00000 0.00358 31 4ZZ -0.00526 0.00000 0.00000 0.00000 -0.00556 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 5 H 1S 0.03300 0.00214 0.09145 0.00577 0.05021 36 2S 0.01348 0.00163 0.05411 0.00260 0.03092 37 6 C 1S -0.00045 -0.00014 -0.00024 -0.00223 -0.00047 38 2S 0.00997 0.00195 0.00324 0.03557 0.01227 39 2PX 0.00126 0.01254 0.00014 0.01311 -0.00216 40 2PY 0.00500 0.00075 -0.00071 0.01580 0.00168 41 2PZ 0.03374 0.01111 0.01047 0.05883 0.03842 42 3S 0.00320 0.00312 0.00552 0.01544 -0.01515 43 3PX -0.00119 0.02284 -0.00022 0.00623 -0.00735 44 3PY 0.00193 0.00016 0.00396 0.01037 -0.00025 45 3PZ 0.01395 0.00615 0.00425 0.00457 0.01723 46 4XX -0.00029 0.00004 -0.00008 -0.00056 -0.00071 47 4YY -0.00060 -0.00009 0.00004 -0.00121 -0.00131 48 4ZZ 0.00248 0.00052 0.00141 0.00018 0.00268 49 4XY 0.00005 0.00010 0.00004 0.00018 0.00006 50 4XZ 0.00031 0.00100 0.00019 0.00045 0.00003 51 4YZ 0.00081 0.00016 0.00047 0.00124 0.00052 52 7 H 1S -0.00015 -0.00004 0.00000 -0.00054 -0.00356 53 2S -0.00279 -0.00069 -0.00014 -0.00874 -0.01422 54 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00019 55 2S -0.00018 0.00000 -0.00056 0.00000 -0.00250 56 2PX 0.00000 -0.00034 0.00000 0.00000 0.00000 57 2PY -0.00056 0.00000 -0.00120 0.00000 -0.00482 58 2PZ 0.00000 0.00000 0.00000 -0.00014 0.00000 59 3S -0.00250 0.00000 -0.00482 0.00000 -0.00583 60 3PX 0.00000 -0.00407 0.00000 0.00000 0.00000 61 3PY -0.00302 0.00000 -0.00199 0.00000 -0.00429 62 3PZ 0.00000 0.00000 0.00000 -0.00250 0.00000 63 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00004 64 4YY 0.00010 0.00000 0.00041 0.00000 0.00079 65 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00022 66 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00012 70 2S 0.00016 -0.00001 0.00048 0.00002 0.00179 71 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00011 72 2S -0.00022 0.00001 -0.00045 -0.00027 -0.00278 73 2PX -0.00002 -0.00001 -0.00002 -0.00003 -0.00094 74 2PY -0.00045 -0.00005 -0.00043 -0.00067 -0.00036 75 2PZ -0.00022 0.00002 -0.00039 0.00000 -0.00362 76 3S -0.00253 -0.00029 -0.00782 0.00285 -0.00671 77 3PX -0.00003 -0.00068 0.00004 0.00011 -0.00197 78 3PY -0.00253 -0.00054 -0.00415 0.00066 -0.00004 79 3PZ -0.00036 -0.00024 -0.00165 0.00157 -0.00302 80 4XX 0.00000 0.00000 0.00000 0.00000 0.00004 81 4YY 0.00004 0.00001 0.00008 0.00008 0.00038 82 4ZZ 0.00000 0.00000 0.00001 0.00001 -0.00003 83 4XY 0.00000 0.00003 0.00000 0.00003 -0.00001 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00006 0.00002 0.00012 0.00010 0.00033 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00014 87 2S 0.00018 0.00000 0.00020 0.00038 0.00195 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00001 0.00000 -0.00003 90 2PX -0.00002 -0.00002 -0.00003 -0.00002 -0.00061 91 2PY -0.00001 -0.00003 -0.00002 -0.00001 0.00009 92 2PZ -0.00001 -0.00001 -0.00001 0.00000 -0.00025 93 3S -0.00052 -0.00015 -0.00074 0.00001 -0.00137 94 3PX -0.00096 -0.00065 -0.00088 -0.00084 -0.00338 95 3PY -0.00039 -0.00046 -0.00063 -0.00025 -0.00007 96 3PZ -0.00062 -0.00037 -0.00032 -0.00002 -0.00207 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00001 0.00000 0.00000 0.00000 0.00007 109 3PX 0.00000 -0.00001 -0.00002 0.00000 -0.00021 110 3PY 0.00001 0.00000 0.00000 0.00000 0.00004 111 3PZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 -0.00006 124 3PX 0.00000 -0.00003 0.00000 0.00000 -0.00008 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 126 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 2PX 0.00000 0.00000 0.00000 0.00000 -0.00006 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00001 0.00005 0.00000 0.00000 -0.00011 139 3PX 0.00002 -0.00010 0.00000 0.00000 -0.00053 140 3PY 0.00000 0.00000 0.00000 0.00000 -0.00007 141 3PZ 0.00000 0.00002 0.00000 0.00000 -0.00001 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 149 2S 0.00000 -0.00003 0.00000 0.00000 0.00002 150 2PX -0.00002 0.00000 0.00000 0.00000 -0.00054 151 2PY 0.00000 -0.00001 0.00000 0.00000 -0.00007 152 2PZ 0.00000 0.00001 0.00000 0.00000 -0.00008 153 3S -0.00024 -0.00001 -0.00001 0.00004 -0.00053 154 3PX -0.00079 0.00033 -0.00010 0.00003 -0.00382 155 3PY -0.00006 -0.00027 -0.00004 0.00000 -0.00016 156 3PZ -0.00001 0.00007 0.00001 0.00004 -0.00016 157 4XX 0.00000 0.00002 0.00000 0.00000 0.00003 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00018 164 2S -0.00016 0.00022 0.00000 0.00003 -0.00115 165 2PX 0.00019 0.00393 0.00014 0.00117 -0.00018 166 2PY -0.00001 0.00020 -0.00004 0.00005 -0.00027 167 2PZ 0.00011 0.00170 0.00003 0.00041 0.00147 168 3S 0.00026 0.00214 0.00045 0.00016 0.00008 169 3PX -0.00087 0.01104 0.00073 0.00588 -0.00486 170 3PY -0.00050 0.00002 0.00095 0.00001 -0.00074 171 3PZ 0.00136 0.00773 0.00009 0.00028 0.00396 172 4XX 0.00005 0.00002 0.00002 0.00010 0.00031 173 4YY 0.00000 -0.00002 0.00000 0.00000 -0.00005 174 4ZZ 0.00000 0.00005 0.00000 -0.00001 -0.00012 175 4XY 0.00001 0.00004 0.00000 0.00002 0.00003 176 4XZ 0.00004 0.00014 0.00001 0.00003 0.00018 177 4YZ 0.00001 0.00001 0.00000 0.00001 0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00001 0.00004 0.00002 0.00004 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00001 184 21 H 1S -0.00002 -0.00001 0.00000 -0.00005 -0.00098 185 2S -0.00031 -0.00018 0.00000 -0.00112 -0.00382 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 -0.00008 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00004 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 -0.00003 0.00000 0.00000 -0.00023 192 3PX -0.00002 -0.00021 -0.00001 -0.00001 -0.00078 193 3PY 0.00000 0.00001 0.00000 0.00000 0.00032 194 3PZ 0.00000 -0.00003 0.00000 0.00000 -0.00004 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PX 0.12146 27 3PY 0.00000 0.05357 28 3PZ 0.00000 0.00000 0.09377 29 4XX 0.00000 0.00000 0.00000 0.00124 30 4YY 0.00000 0.00000 0.00000 -0.00012 0.00176 31 4ZZ 0.00000 0.00000 0.00000 0.00008 -0.00030 32 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 33 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 34 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 5 H 1S 0.00164 0.03905 0.00242 -0.00092 0.00591 36 2S 0.00226 0.03247 0.00025 -0.00154 0.00505 37 6 C 1S -0.00005 -0.00033 -0.00156 0.00001 0.00001 38 2S 0.00023 0.00406 0.02070 -0.00044 -0.00062 39 2PX 0.02275 -0.00082 0.00787 0.00004 -0.00012 40 2PY 0.00030 0.00370 0.00729 -0.00008 0.00003 41 2PZ 0.00526 0.00550 0.01018 -0.00092 -0.00097 42 3S 0.00329 0.00321 -0.00619 0.00008 -0.00245 43 3PX 0.03836 -0.00112 0.00658 -0.00014 -0.00020 44 3PY -0.00022 0.00560 0.00815 -0.00022 -0.00021 45 3PZ 0.00579 0.00217 0.00000 -0.00007 -0.00103 46 4XX -0.00017 -0.00016 0.00005 0.00001 0.00001 47 4YY -0.00012 -0.00026 -0.00115 0.00000 0.00003 48 4ZZ 0.00047 0.00040 -0.00031 -0.00003 -0.00007 49 4XY 0.00012 -0.00003 0.00007 0.00000 0.00000 50 4XZ 0.00074 0.00001 0.00007 0.00001 0.00000 51 4YZ 0.00002 0.00020 0.00011 -0.00003 0.00000 52 7 H 1S -0.00012 0.00012 -0.00402 0.00000 0.00000 53 2S -0.00024 0.00028 -0.01518 0.00017 -0.00004 54 8 C 1S 0.00000 0.00030 0.00000 0.00000 0.00000 55 2S 0.00000 -0.00302 0.00000 0.00000 0.00010 56 2PX -0.00407 0.00000 0.00000 0.00000 0.00000 57 2PY 0.00000 -0.00199 0.00000 -0.00002 0.00041 58 2PZ 0.00000 0.00000 -0.00250 0.00000 0.00000 59 3S 0.00000 -0.00429 0.00000 -0.00004 0.00079 60 3PX -0.01356 0.00000 0.00000 0.00000 0.00000 61 3PY 0.00000 0.00161 0.00000 -0.00007 0.00109 62 3PZ 0.00000 0.00000 -0.00965 0.00000 0.00000 63 4XX 0.00000 -0.00007 0.00000 0.00000 0.00000 64 4YY 0.00000 0.00109 0.00000 0.00000 0.00000 65 4ZZ 0.00000 -0.00040 0.00000 0.00000 0.00000 66 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 -0.00009 0.00000 0.00000 69 9 H 1S 0.00000 0.00014 0.00002 0.00000 0.00000 70 2S -0.00004 0.00204 0.00021 0.00000 -0.00004 71 10 C 1S 0.00000 0.00009 0.00009 0.00000 0.00000 72 2S 0.00014 -0.00213 -0.00216 0.00000 0.00004 73 2PX -0.00084 -0.00124 -0.00062 0.00000 -0.00001 74 2PY -0.00041 0.00267 -0.00303 -0.00001 0.00013 75 2PZ 0.00006 -0.00109 -0.00035 0.00000 0.00005 76 3S -0.00130 -0.01044 0.00776 -0.00008 0.00030 77 3PX -0.00363 -0.00201 -0.00083 0.00000 -0.00009 78 3PY -0.00133 0.00022 0.00233 -0.00016 0.00060 79 3PZ -0.00084 -0.00023 0.00000 -0.00011 0.00002 80 4XX 0.00001 -0.00005 -0.00006 0.00000 0.00000 81 4YY 0.00001 0.00037 0.00008 0.00000 -0.00001 82 4ZZ -0.00002 -0.00004 0.00016 0.00000 0.00000 83 4XY 0.00021 -0.00001 0.00008 0.00000 0.00000 84 4XZ -0.00006 -0.00002 -0.00001 0.00000 0.00000 85 4YZ 0.00004 0.00020 0.00010 0.00000 0.00000 86 11 H 1S 0.00001 0.00003 0.00022 0.00000 0.00000 87 2S -0.00006 0.00064 0.00260 -0.00001 -0.00001 88 12 C 1S 0.00000 -0.00001 0.00001 0.00000 0.00000 89 2S -0.00008 -0.00002 -0.00015 0.00000 0.00000 90 2PX -0.00076 -0.00016 -0.00078 0.00000 0.00000 91 2PY -0.00077 0.00038 -0.00055 0.00000 0.00000 92 2PZ -0.00047 0.00015 -0.00004 0.00000 0.00000 93 3S 0.00048 -0.00056 -0.00070 0.00003 0.00002 94 3PX -0.00247 -0.00091 -0.00356 0.00007 -0.00008 95 3PY -0.00102 0.00038 -0.00175 -0.00006 0.00006 96 3PZ -0.00187 0.00006 0.00027 0.00006 -0.00003 97 4XX -0.00003 0.00002 -0.00002 0.00000 0.00000 98 4YY -0.00001 0.00001 0.00000 0.00000 0.00000 99 4ZZ -0.00001 -0.00002 0.00000 0.00000 0.00000 100 4XY 0.00010 0.00000 0.00006 0.00000 0.00000 101 4XZ -0.00003 0.00002 0.00000 0.00000 0.00000 102 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00003 -0.00001 0.00000 0.00000 0.00000 105 2PX 0.00000 -0.00004 0.00000 0.00000 0.00000 106 2PY 0.00005 -0.00001 0.00000 0.00000 0.00000 107 2PZ -0.00001 0.00000 0.00001 0.00000 0.00000 108 3S -0.00003 0.00001 0.00000 0.00000 0.00000 109 3PX -0.00013 -0.00027 -0.00001 0.00000 0.00000 110 3PY 0.00007 -0.00005 0.00001 0.00000 0.00000 111 3PZ -0.00004 -0.00002 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX -0.00007 -0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 123 3S -0.00019 -0.00009 0.00001 0.00000 0.00000 124 3PX -0.00075 -0.00013 0.00003 0.00000 0.00000 125 3PY -0.00008 -0.00001 -0.00002 0.00000 0.00000 126 3PZ 0.00016 0.00000 0.00002 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00019 -0.00001 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 138 3S 0.00083 0.00007 -0.00005 0.00000 0.00000 139 3PX -0.00132 -0.00004 -0.00005 0.00000 0.00000 140 3PY -0.00008 0.00004 -0.00001 0.00000 0.00000 141 3PZ 0.00030 0.00001 0.00004 0.00000 0.00000 142 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 149 2S -0.00099 -0.00002 -0.00008 0.00000 0.00000 150 2PX 0.00068 0.00007 -0.00012 0.00001 0.00000 151 2PY -0.00017 -0.00008 0.00000 0.00000 0.00000 152 2PZ 0.00022 0.00001 -0.00017 0.00000 0.00000 153 3S 0.00046 -0.00003 0.00006 0.00003 0.00000 154 3PX 0.00283 0.00007 -0.00012 0.00013 -0.00004 155 3PY -0.00069 -0.00008 -0.00003 0.00000 0.00000 156 3PZ 0.00028 0.00004 0.00012 0.00001 0.00000 157 4XX 0.00039 0.00001 0.00004 0.00000 0.00000 158 4YY -0.00004 0.00000 -0.00001 0.00000 0.00000 159 4ZZ -0.00012 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00002 0.00000 -0.00001 0.00000 0.00000 162 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00009 0.00002 -0.00001 0.00000 0.00000 164 2S -0.00043 0.00011 -0.00024 0.00004 -0.00001 165 2PX 0.01077 0.00002 0.00602 0.00015 -0.00003 166 2PY 0.00062 0.00059 0.00052 0.00002 0.00000 167 2PZ 0.00627 0.00004 0.00024 0.00011 -0.00001 168 3S -0.00103 -0.00029 0.00173 0.00040 -0.00028 169 3PX 0.01409 -0.00011 0.01220 0.00080 -0.00048 170 3PY 0.00032 0.00170 -0.00012 0.00005 0.00001 171 3PZ 0.01233 -0.00011 -0.00117 0.00048 -0.00018 172 4XX 0.00020 0.00003 0.00035 0.00000 0.00000 173 4YY -0.00015 0.00000 -0.00011 0.00000 0.00000 174 4ZZ 0.00027 -0.00002 0.00004 0.00000 0.00000 175 4XY 0.00008 0.00002 0.00007 0.00000 0.00000 176 4XZ 0.00026 0.00002 0.00002 0.00000 0.00000 177 4YZ 0.00005 0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00005 -0.00006 0.00005 0.00000 0.00000 179 2S 0.00041 -0.00049 0.00045 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00006 0.00000 0.00001 0.00000 0.00000 184 21 H 1S -0.00065 0.00002 0.00013 0.00000 0.00000 185 2S -0.00146 0.00002 -0.00023 -0.00003 -0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00006 -0.00001 0.00000 0.00000 0.00000 188 2PX -0.00006 -0.00005 -0.00005 0.00000 0.00000 189 2PY 0.00002 -0.00001 0.00000 0.00000 0.00000 190 2PZ -0.00005 0.00001 0.00001 0.00000 0.00000 191 3S -0.00026 0.00005 -0.00006 0.00000 0.00000 192 3PX -0.00066 -0.00038 -0.00036 -0.00001 0.00000 193 3PY -0.00003 -0.00006 0.00000 0.00000 0.00000 194 3PZ -0.00040 0.00010 0.00017 0.00000 0.00000 195 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00001 -0.00001 0.00000 0.00000 0.00000 208 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 4ZZ 0.00137 32 4XY 0.00000 0.00058 33 4XZ 0.00000 0.00000 0.00073 34 4YZ 0.00000 0.00000 0.00000 0.00098 35 5 H 1S -0.00122 0.00049 0.00000 0.00079 0.21366 36 2S -0.00229 0.00010 0.00000 0.00016 0.10181 37 6 C 1S -0.00018 0.00000 -0.00003 -0.00007 0.00000 38 2S 0.00270 0.00005 0.00029 0.00078 -0.00014 39 2PX 0.00089 0.00011 0.00120 0.00021 -0.00001 40 2PY 0.00105 0.00004 0.00005 0.00058 -0.00026 41 2PZ 0.00035 0.00019 0.00048 0.00146 -0.00029 42 3S 0.00345 0.00000 0.00009 0.00013 -0.00387 43 3PX 0.00070 0.00009 0.00104 0.00002 -0.00017 44 3PY 0.00061 -0.00001 -0.00001 0.00013 -0.00014 45 3PZ -0.00013 0.00002 0.00005 0.00005 -0.00259 46 4XX -0.00005 0.00000 0.00001 -0.00002 0.00000 47 4YY -0.00006 0.00000 -0.00001 -0.00001 0.00004 48 4ZZ -0.00001 -0.00002 0.00004 -0.00010 -0.00002 49 4XY -0.00002 0.00000 -0.00002 -0.00001 0.00001 50 4XZ 0.00004 0.00002 0.00000 -0.00001 0.00000 51 4YZ -0.00003 -0.00001 -0.00002 -0.00005 0.00005 52 7 H 1S 0.00004 0.00000 0.00001 0.00001 0.00000 53 2S 0.00008 0.00001 0.00004 0.00005 -0.00043 54 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 57 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 58 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 59 3S -0.00022 0.00000 0.00000 0.00000 0.00012 60 3PX 0.00000 0.00002 0.00000 0.00000 0.00000 61 3PY -0.00040 0.00000 0.00000 0.00000 0.00014 62 3PZ 0.00000 0.00000 0.00000 -0.00009 0.00002 63 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 65 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 0.00000 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 72 2S 0.00000 0.00001 0.00000 0.00005 0.00000 73 2PX 0.00001 0.00001 0.00002 0.00000 0.00000 74 2PY -0.00001 0.00002 0.00000 0.00021 0.00000 75 2PZ -0.00001 0.00001 0.00001 0.00002 0.00000 76 3S 0.00009 0.00004 -0.00002 0.00027 0.00018 77 3PX 0.00011 0.00005 0.00016 0.00001 -0.00002 78 3PY -0.00015 0.00003 -0.00001 0.00027 0.00033 79 3PZ 0.00007 0.00002 0.00001 0.00004 0.00002 80 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 81 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 82 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 87 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00000 0.00001 0.00002 0.00000 0.00002 94 3PX 0.00007 0.00002 0.00008 -0.00001 0.00000 95 3PY -0.00002 0.00003 -0.00002 0.00000 0.00005 96 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 -0.00004 154 3PX 0.00001 0.00000 0.00000 0.00000 -0.00029 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00005 0.00000 0.00000 165 2PX 0.00002 0.00002 0.00015 0.00001 -0.00002 166 2PY 0.00000 0.00001 0.00002 0.00000 -0.00001 167 2PZ -0.00001 0.00001 0.00002 0.00000 0.00000 168 3S 0.00003 -0.00001 0.00019 0.00000 -0.00050 169 3PX 0.00017 0.00001 0.00029 0.00004 -0.00111 170 3PY 0.00000 0.00001 0.00005 0.00002 0.00031 171 3PZ -0.00006 0.00002 0.00002 0.00000 -0.00012 172 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 185 2S 0.00012 0.00000 0.00004 0.00000 -0.00017 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 2S 0.13514 37 6 C 1S 0.00014 2.05355 38 2S -0.00200 -0.01405 0.33134 39 2PX -0.00025 0.00000 0.00000 0.34548 40 2PY -0.00411 0.00000 0.00000 0.00000 0.41951 41 2PZ -0.00319 0.00000 0.00000 0.00000 0.00000 42 3S -0.01442 -0.03074 0.20796 0.00000 0.00000 43 3PX -0.00047 0.00000 0.00000 0.12411 0.00000 44 3PY -0.00128 0.00000 0.00000 0.00000 0.07767 45 3PZ -0.00701 0.00000 0.00000 0.00000 0.00000 46 4XX 0.00006 -0.00094 -0.00993 0.00000 0.00000 47 4YY 0.00060 -0.00138 -0.00170 0.00000 0.00000 48 4ZZ -0.00047 -0.00144 -0.00081 0.00000 0.00000 49 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 50 4XZ -0.00002 0.00000 0.00000 0.00000 0.00000 51 4YZ 0.00013 0.00000 0.00000 0.00000 0.00000 52 7 H 1S -0.00042 -0.00210 0.03245 0.00891 0.03339 53 2S -0.00259 -0.00123 0.01135 0.00563 0.01988 54 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 2S 0.00016 0.00000 -0.00022 -0.00002 -0.00045 56 2PX -0.00001 0.00000 0.00001 -0.00001 -0.00005 57 2PY 0.00048 0.00000 -0.00045 -0.00002 -0.00043 58 2PZ 0.00002 0.00000 -0.00027 -0.00003 -0.00067 59 3S 0.00179 0.00011 -0.00278 -0.00094 -0.00036 60 3PX -0.00004 0.00000 0.00014 -0.00084 -0.00041 61 3PY 0.00204 0.00009 -0.00213 -0.00124 0.00267 62 3PZ 0.00021 0.00009 -0.00216 -0.00062 -0.00303 63 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 64 4YY -0.00004 0.00000 0.00004 -0.00001 0.00013 65 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00001 66 4XY 0.00000 0.00000 0.00001 0.00001 0.00002 67 4XZ 0.00000 0.00000 0.00000 0.00002 0.00000 68 4YZ 0.00000 0.00000 0.00005 0.00000 0.00021 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S -0.00013 0.00000 0.00016 -0.00004 0.00051 71 10 C 1S 0.00000 0.00000 -0.00050 0.00000 -0.00268 72 2S 0.00016 -0.00050 0.01026 0.00000 0.04089 73 2PX -0.00004 0.00000 0.00000 0.01970 0.00000 74 2PY 0.00051 -0.00268 0.04089 0.00000 0.09972 75 2PZ 0.00010 0.00000 0.00000 0.00000 0.00000 76 3S 0.00229 -0.00013 0.01188 0.00000 0.02956 77 3PX -0.00038 0.00000 0.00000 0.03086 0.00000 78 3PY 0.00345 -0.00145 0.02195 0.00000 0.01817 79 3PZ 0.00052 0.00000 0.00000 0.00000 0.00000 80 4XX 0.00000 0.00000 -0.00038 0.00000 -0.00084 81 4YY -0.00002 -0.00028 0.00380 0.00000 0.00251 82 4ZZ 0.00000 0.00000 -0.00059 0.00000 -0.00147 83 4XY 0.00000 0.00000 0.00000 0.00215 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00000 -0.00014 -0.00001 -0.00049 87 2S -0.00010 0.00017 -0.00229 -0.00029 -0.00722 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00001 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00001 0.00000 0.00000 -0.00001 0.00000 91 2PY 0.00007 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00001 0.00000 0.00000 -0.00002 0.00000 93 3S 0.00050 0.00000 -0.00011 -0.00021 -0.00003 94 3PX 0.00014 0.00000 0.00002 -0.00049 -0.00010 95 3PY 0.00115 0.00000 -0.00003 0.00017 -0.00001 96 3PZ 0.00005 0.00000 -0.00013 -0.00091 -0.00005 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00001 0.00000 0.00001 0.00000 -0.00002 109 3PX 0.00001 0.00000 0.00001 -0.00004 -0.00001 110 3PY -0.00001 0.00000 0.00003 -0.00008 0.00001 111 3PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00001 0.00000 -0.00001 0.00001 0.00000 124 3PX -0.00001 0.00000 -0.00006 0.00002 0.00000 125 3PY -0.00002 0.00000 -0.00001 0.00001 0.00000 126 3PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00009 0.00000 0.00002 0.00013 0.00000 139 3PX 0.00001 0.00000 -0.00010 0.00017 0.00000 140 3PY -0.00003 0.00000 0.00000 0.00000 -0.00001 141 3PZ 0.00002 0.00000 -0.00002 -0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00002 0.00000 0.00000 -0.00001 0.00000 150 2PX -0.00009 0.00000 0.00000 -0.00001 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00025 0.00000 -0.00009 0.00022 0.00002 154 3PX -0.00033 0.00001 -0.00014 0.00000 -0.00004 155 3PY -0.00015 0.00000 -0.00002 -0.00031 0.00002 156 3PZ 0.00000 0.00000 -0.00006 -0.00022 0.00000 157 4XX -0.00003 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 164 2S -0.00029 0.00000 0.00000 -0.00001 0.00000 165 2PX -0.00101 0.00000 -0.00001 0.00000 0.00000 166 2PY -0.00067 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00032 0.00000 -0.00002 -0.00001 0.00000 168 3S -0.00547 0.00000 -0.00002 -0.00061 0.00000 169 3PX -0.00510 0.00001 -0.00051 -0.00015 0.00000 170 3PY 0.00100 0.00000 0.00000 0.00000 -0.00002 171 3PZ -0.00158 0.00002 -0.00048 -0.00027 0.00000 172 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00005 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 176 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00007 0.00000 0.00000 0.00001 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S -0.00016 0.00000 0.00000 0.00000 0.00000 185 2S 0.00017 0.00000 0.00003 -0.00001 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00022 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00030 0.00000 0.00000 -0.00001 0.00000 192 3PX 0.00202 0.00000 0.00000 0.00000 0.00000 193 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00002 0.00000 0.00000 -0.00001 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 2PZ 0.40636 42 3S 0.00000 0.27300 43 3PX 0.00000 0.00000 0.14496 44 3PY 0.00000 0.00000 0.00000 0.05523 45 3PZ 0.06667 0.00000 0.00000 0.00000 0.05196 46 4XX 0.00000 -0.00658 0.00000 0.00000 0.00000 47 4YY 0.00000 -0.00100 0.00000 0.00000 0.00000 48 4ZZ 0.00000 0.00044 0.00000 0.00000 0.00000 49 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 50 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 7 H 1S 0.05679 0.05003 0.00424 0.01354 0.02228 53 2S 0.03531 0.04215 0.00409 0.00977 0.01659 54 8 C 1S 0.00000 0.00006 0.00000 0.00008 -0.00005 55 2S -0.00022 -0.00253 -0.00003 -0.00253 -0.00036 56 2PX 0.00002 -0.00029 -0.00068 -0.00054 -0.00024 57 2PY -0.00039 -0.00782 0.00004 -0.00415 -0.00165 58 2PZ 0.00000 0.00285 0.00011 0.00066 0.00157 59 3S -0.00362 -0.00671 -0.00197 -0.00004 -0.00302 60 3PX 0.00006 -0.00129 -0.00363 -0.00132 -0.00084 61 3PY -0.00109 -0.01044 -0.00200 0.00022 -0.00023 62 3PZ -0.00035 0.00777 -0.00082 0.00233 0.00000 63 4XX 0.00000 -0.00008 0.00000 -0.00016 -0.00011 64 4YY 0.00005 0.00030 -0.00009 0.00060 0.00002 65 4ZZ -0.00001 0.00009 0.00011 -0.00015 0.00007 66 4XY 0.00001 0.00004 0.00005 0.00003 0.00002 67 4XZ 0.00001 -0.00002 0.00016 -0.00001 0.00001 68 4YZ 0.00002 0.00027 0.00001 0.00027 0.00004 69 9 H 1S 0.00000 0.00018 -0.00002 0.00033 0.00002 70 2S 0.00010 0.00229 -0.00038 0.00345 0.00053 71 10 C 1S 0.00000 -0.00013 0.00000 -0.00145 0.00000 72 2S 0.00000 0.01188 0.00000 0.02194 0.00000 73 2PX 0.00000 0.00000 0.03086 0.00000 0.00000 74 2PY 0.00000 0.02955 0.00000 0.01817 0.00000 75 2PZ 0.00393 0.00000 0.00000 0.00000 0.01043 76 3S 0.00000 -0.01101 0.00000 0.00561 0.00000 77 3PX 0.00000 0.00000 0.05142 0.00000 0.00000 78 3PY 0.00000 0.00560 0.00000 0.00214 0.00000 79 3PZ 0.01043 0.00000 0.00000 0.00000 0.00798 80 4XX 0.00000 -0.00057 0.00000 -0.00052 0.00000 81 4YY 0.00000 0.00356 0.00000 0.00088 0.00000 82 4ZZ 0.00000 -0.00215 0.00000 -0.00190 0.00000 83 4XY 0.00000 0.00000 0.00135 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00207 0.00000 0.00000 0.00000 0.00041 86 11 H 1S -0.00009 -0.00382 0.00001 -0.00367 0.00016 87 2S -0.00163 -0.01519 -0.00031 -0.01269 0.00031 88 12 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 89 2S 0.00000 -0.00001 -0.00017 0.00000 -0.00018 90 2PX -0.00001 -0.00008 -0.00039 -0.00013 -0.00066 91 2PY 0.00000 -0.00011 0.00009 -0.00001 -0.00013 92 2PZ -0.00001 -0.00011 -0.00107 -0.00029 -0.00066 93 3S -0.00033 -0.00119 -0.00150 -0.00044 -0.00212 94 3PX -0.00040 -0.00054 -0.00116 -0.00089 -0.00328 95 3PY 0.00007 -0.00124 0.00086 -0.00005 -0.00032 96 3PZ -0.00061 -0.00078 -0.00469 -0.00111 -0.00266 97 4XX 0.00000 -0.00001 0.00000 -0.00001 -0.00001 98 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 99 4ZZ 0.00000 0.00001 0.00001 0.00000 0.00002 100 4XY 0.00000 0.00001 0.00000 0.00000 0.00001 101 4XZ 0.00000 -0.00001 0.00000 -0.00001 -0.00001 102 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00003 -0.00003 0.00001 0.00002 105 2PX 0.00000 0.00002 -0.00009 -0.00002 0.00000 106 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00001 107 2PZ 0.00000 -0.00001 -0.00007 -0.00001 -0.00002 108 3S 0.00002 0.00008 -0.00003 -0.00017 0.00012 109 3PX 0.00001 0.00012 -0.00029 -0.00015 0.00000 110 3PY -0.00001 0.00030 -0.00055 0.00006 -0.00001 111 3PZ -0.00001 0.00007 -0.00043 0.00002 -0.00004 112 4XX 0.00000 0.00000 -0.00002 -0.00001 -0.00001 113 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 115 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00006 0.00000 0.00000 120 2PX 0.00000 0.00001 0.00000 0.00002 0.00001 121 2PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 123 3S 0.00000 -0.00010 0.00000 0.00004 -0.00002 124 3PX 0.00001 -0.00004 0.00075 0.00014 0.00012 125 3PY 0.00000 0.00000 -0.00005 0.00000 0.00001 126 3PZ 0.00000 0.00003 0.00005 0.00001 -0.00007 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00001 -0.00016 0.00000 0.00000 135 2PX 0.00000 0.00009 0.00017 0.00000 0.00007 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00004 0.00000 -0.00001 138 3S 0.00002 0.00022 0.00104 0.00000 0.00011 139 3PX 0.00002 0.00073 0.00180 0.00001 0.00039 140 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 141 3PZ 0.00001 -0.00004 0.00018 0.00000 -0.00006 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00001 0.00001 0.00000 0.00002 149 2S 0.00000 -0.00022 -0.00050 0.00002 -0.00027 150 2PX -0.00001 -0.00016 -0.00053 -0.00010 -0.00012 151 2PY 0.00000 0.00005 -0.00013 0.00001 0.00002 152 2PZ 0.00000 0.00014 -0.00001 -0.00002 0.00017 153 3S -0.00009 -0.00048 0.00098 -0.00002 -0.00014 154 3PX -0.00008 -0.00017 -0.00028 -0.00027 0.00040 155 3PY -0.00012 -0.00028 -0.00113 0.00001 -0.00044 156 3PZ 0.00000 -0.00012 -0.00094 -0.00002 0.00011 157 4XX 0.00000 0.00004 -0.00001 -0.00001 0.00002 158 4YY 0.00000 -0.00001 0.00001 0.00000 -0.00001 159 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00001 160 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00001 0.00006 0.00000 0.00001 162 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00003 0.00000 0.00001 164 2S -0.00001 -0.00006 -0.00067 0.00000 -0.00050 165 2PX -0.00002 0.00054 -0.00021 0.00000 0.00030 166 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 167 2PZ -0.00005 0.00012 -0.00045 0.00000 -0.00047 168 3S -0.00024 0.00204 -0.00343 0.00000 -0.00052 169 3PX -0.00111 0.00293 -0.00060 0.00000 0.00021 170 3PY 0.00000 0.00000 0.00001 0.00037 0.00001 171 3PZ -0.00020 0.00224 -0.00162 -0.00001 0.00004 172 4XX 0.00000 0.00000 0.00005 0.00000 0.00001 173 4YY 0.00000 -0.00001 -0.00002 0.00000 -0.00003 174 4ZZ 0.00000 0.00004 0.00005 0.00000 0.00009 175 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 176 4XZ 0.00000 0.00000 0.00007 0.00000 0.00006 177 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 179 2S 0.00001 0.00008 0.00012 0.00014 0.00022 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00005 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00004 -0.00004 -0.00001 0.00000 184 21 H 1S 0.00000 0.00002 -0.00003 0.00001 0.00002 185 2S 0.00007 0.00026 -0.00014 0.00010 0.00042 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 -0.00002 -0.00001 0.00001 -0.00001 189 2PY 0.00000 -0.00001 0.00001 0.00000 -0.00001 190 2PZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 191 3S 0.00000 -0.00005 -0.00028 0.00000 -0.00007 192 3PX 0.00000 -0.00032 -0.00009 0.00009 -0.00013 193 3PY 0.00000 -0.00006 -0.00003 0.00001 -0.00010 194 3PZ 0.00000 -0.00009 -0.00026 0.00001 0.00000 195 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 207 3PX 0.00000 0.00001 0.00002 0.00002 0.00001 208 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00002 0.00001 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4XX 0.00081 47 4YY 0.00005 0.00114 48 4ZZ 0.00004 -0.00019 0.00117 49 4XY 0.00000 0.00000 0.00000 0.00072 50 4XZ 0.00000 0.00000 0.00000 0.00000 0.00063 51 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 52 7 H 1S -0.00061 -0.00032 0.00152 0.00054 0.00077 53 2S -0.00025 -0.00030 0.00187 0.00012 0.00012 54 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 55 2S 0.00000 0.00004 0.00000 0.00000 0.00000 56 2PX 0.00000 0.00001 0.00000 0.00003 0.00000 57 2PY 0.00000 0.00008 0.00001 0.00000 0.00000 58 2PZ 0.00000 0.00008 0.00001 0.00003 0.00000 59 3S 0.00004 0.00038 -0.00003 -0.00001 0.00000 60 3PX 0.00001 0.00001 -0.00002 0.00021 -0.00006 61 3PY -0.00005 0.00037 -0.00004 -0.00001 -0.00002 62 3PZ -0.00006 0.00008 0.00016 0.00008 -0.00001 63 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 64 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 65 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 69 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 70 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 71 10 C 1S 0.00000 -0.00028 0.00000 0.00000 0.00000 72 2S -0.00038 0.00380 -0.00059 0.00000 0.00000 73 2PX 0.00000 0.00000 0.00000 0.00215 0.00000 74 2PY -0.00084 0.00251 -0.00147 0.00000 0.00000 75 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 3S -0.00057 0.00356 -0.00215 0.00000 0.00000 77 3PX 0.00000 0.00000 0.00000 0.00135 0.00000 78 3PY -0.00052 0.00088 -0.00190 0.00000 0.00000 79 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 4XX 0.00002 -0.00006 0.00001 0.00000 0.00000 81 4YY -0.00006 -0.00008 -0.00002 0.00000 0.00000 82 4ZZ 0.00001 -0.00002 0.00003 0.00000 0.00000 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.00000 0.00001 0.00000 0.00001 0.00000 87 2S 0.00011 -0.00031 0.00023 0.00004 0.00001 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 3S 0.00001 0.00001 -0.00001 -0.00001 0.00000 94 3PX 0.00001 -0.00001 -0.00003 0.00000 0.00000 95 3PY 0.00000 0.00001 -0.00001 0.00000 0.00000 96 3PZ 0.00002 0.00000 -0.00002 0.00000 0.00001 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00002 -0.00001 -0.00001 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00001 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00002 0.00000 -0.00001 0.00001 0.00001 155 3PY 0.00001 0.00000 -0.00001 0.00000 -0.00001 156 3PZ 0.00001 0.00000 0.00000 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 3S 0.00000 -0.00002 0.00002 0.00000 0.00002 169 3PX -0.00001 -0.00002 0.00007 0.00000 0.00006 170 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 171 3PZ -0.00004 -0.00004 0.00007 0.00000 0.00012 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 4YZ 0.00146 52 7 H 1S 0.00336 0.21459 53 2S 0.00070 0.10562 0.14181 54 8 C 1S 0.00000 0.00000 -0.00001 2.05589 55 2S 0.00006 0.00000 0.00018 -0.01386 0.33143 56 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 57 2PY 0.00012 0.00000 0.00020 0.00000 0.00000 58 2PZ 0.00010 0.00000 0.00038 0.00000 0.00000 59 3S 0.00033 0.00014 0.00195 -0.03809 0.25290 60 3PX 0.00004 0.00001 -0.00006 0.00000 0.00000 61 3PY 0.00020 0.00003 0.00064 0.00000 0.00000 62 3PZ 0.00010 0.00022 0.00261 0.00000 0.00000 63 4XX 0.00000 0.00000 -0.00001 -0.00087 -0.00986 64 4YY 0.00000 0.00000 -0.00001 -0.00151 0.00216 65 4ZZ 0.00000 0.00000 0.00000 -0.00109 -0.00526 66 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 69 9 H 1S 0.00000 0.00000 0.00000 -0.00212 0.03300 70 2S -0.00001 0.00000 -0.00010 -0.00144 0.01348 71 10 C 1S 0.00000 0.00000 0.00017 0.00000 -0.00045 72 2S 0.00000 -0.00014 -0.00229 -0.00049 0.00996 73 2PX 0.00000 -0.00001 -0.00029 -0.00007 0.00126 74 2PY 0.00000 -0.00049 -0.00722 -0.00029 0.00500 75 2PZ 0.00207 -0.00009 -0.00163 -0.00224 0.03374 76 3S 0.00000 -0.00382 -0.01519 0.00087 0.00320 77 3PX 0.00000 0.00001 -0.00031 0.00024 -0.00119 78 3PY 0.00000 -0.00367 -0.01269 -0.00027 0.00193 79 3PZ 0.00041 0.00016 0.00031 -0.00036 0.01395 80 4XX 0.00000 0.00000 0.00011 0.00000 -0.00029 81 4YY 0.00000 0.00001 -0.00031 0.00001 -0.00060 82 4ZZ 0.00000 0.00000 0.00023 -0.00017 0.00248 83 4XY 0.00000 0.00001 0.00004 -0.00001 0.00005 84 4XZ 0.00000 0.00000 0.00001 -0.00003 0.00031 85 4YZ -0.00024 0.00005 0.00023 -0.00007 0.00081 86 11 H 1S 0.00005 0.00000 -0.00039 0.00000 -0.00015 87 2S 0.00023 -0.00039 -0.00242 0.00020 -0.00279 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 -0.00017 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00019 91 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 92 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00011 93 3S 0.00000 0.00000 0.00000 0.00015 0.00026 94 3PX -0.00001 0.00000 -0.00013 0.00013 -0.00087 95 3PY 0.00000 0.00000 -0.00002 0.00001 -0.00050 96 3PZ 0.00000 0.00000 -0.00013 -0.00003 0.00137 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00005 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.00001 0.00001 -0.00024 109 3PX 0.00000 0.00000 -0.00003 0.00003 -0.00079 110 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00006 111 3PZ 0.00000 0.00000 0.00001 0.00000 -0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00005 0.00000 0.00001 124 3PX 0.00000 -0.00001 0.00005 0.00000 0.00002 125 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 126 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00003 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00003 0.00000 0.00000 138 3S 0.00000 -0.00001 -0.00015 0.00000 0.00000 139 3PX 0.00000 -0.00002 0.00035 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00004 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00027 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00008 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00005 0.00000 0.00000 153 3S 0.00000 0.00003 0.00041 0.00000 0.00001 154 3PX 0.00000 -0.00001 0.00037 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 156 3PZ 0.00000 -0.00005 0.00008 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 166 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 167 2PZ 0.00000 0.00000 0.00002 0.00000 -0.00001 168 3S 0.00000 0.00000 -0.00003 0.00000 -0.00052 169 3PX 0.00000 0.00002 0.00019 0.00003 -0.00096 170 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00039 171 3PZ 0.00000 -0.00003 -0.00018 0.00002 -0.00062 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 179 2S 0.00000 0.00000 0.00000 0.00002 -0.00032 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00006 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00005 0.00000 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 193 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 2PX 0.31533 57 2PY 0.00000 0.42633 58 2PZ 0.00000 0.00000 0.40305 59 3S 0.00000 0.00000 0.00000 0.34777 60 3PX 0.10656 0.00000 0.00000 0.00000 0.12145 61 3PY 0.00000 0.07593 0.00000 0.00000 0.00000 62 3PZ 0.00000 0.00000 0.09841 0.00000 0.00000 63 4XX 0.00000 0.00000 0.00000 -0.00734 0.00000 64 4YY 0.00000 0.00000 0.00000 0.00358 0.00000 65 4ZZ 0.00000 0.00000 0.00000 -0.00556 0.00000 66 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 H 1S 0.00214 0.09144 0.00577 0.05021 0.00164 70 2S 0.00163 0.05411 0.00260 0.03091 0.00226 71 10 C 1S -0.00014 -0.00024 -0.00223 -0.00047 -0.00005 72 2S 0.00195 0.00324 0.03557 0.01227 0.00023 73 2PX 0.01254 0.00014 0.01310 -0.00216 0.02275 74 2PY 0.00075 -0.00071 0.01580 0.00168 0.00030 75 2PZ 0.01110 0.01047 0.05884 0.03842 0.00526 76 3S 0.00312 0.00552 0.01544 -0.01514 0.00329 77 3PX 0.02284 -0.00022 0.00623 -0.00735 0.03836 78 3PY 0.00016 0.00396 0.01037 -0.00026 -0.00023 79 3PZ 0.00615 0.00425 0.00457 0.01724 0.00579 80 4XX 0.00004 -0.00008 -0.00056 -0.00071 -0.00017 81 4YY -0.00009 0.00004 -0.00121 -0.00131 -0.00012 82 4ZZ 0.00052 0.00141 0.00018 0.00268 0.00047 83 4XY 0.00010 0.00004 0.00018 0.00006 0.00012 84 4XZ 0.00100 0.00019 0.00045 0.00003 0.00074 85 4YZ 0.00016 0.00047 0.00124 0.00052 0.00002 86 11 H 1S -0.00004 0.00000 -0.00054 -0.00356 -0.00012 87 2S -0.00069 -0.00014 -0.00874 -0.01422 -0.00024 88 12 C 1S 0.00000 0.00000 0.00000 0.00018 0.00009 89 2S 0.00022 0.00000 0.00003 -0.00115 -0.00043 90 2PX 0.00394 0.00014 0.00118 -0.00018 0.01078 91 2PY 0.00020 -0.00004 0.00005 -0.00027 0.00062 92 2PZ 0.00171 0.00003 0.00041 0.00147 0.00627 93 3S 0.00214 0.00045 0.00016 0.00008 -0.00104 94 3PX 0.01104 0.00073 0.00589 -0.00486 0.01409 95 3PY 0.00002 0.00095 0.00001 -0.00075 0.00033 96 3PZ 0.00774 0.00009 0.00028 0.00396 0.01233 97 4XX 0.00002 0.00002 0.00010 0.00031 0.00020 98 4YY -0.00002 0.00000 0.00000 -0.00005 -0.00015 99 4ZZ 0.00005 0.00000 -0.00001 -0.00012 0.00027 100 4XY 0.00004 0.00000 0.00002 0.00003 0.00008 101 4XZ 0.00014 0.00001 0.00003 0.00018 0.00026 102 4YZ 0.00001 0.00000 0.00001 0.00003 0.00005 103 13 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00003 104 2S -0.00003 0.00000 0.00000 0.00002 -0.00099 105 2PX 0.00000 0.00000 0.00000 -0.00054 0.00067 106 2PY -0.00001 0.00000 0.00000 -0.00007 -0.00017 107 2PZ 0.00001 0.00000 0.00000 -0.00008 0.00022 108 3S -0.00001 -0.00001 0.00004 -0.00053 0.00046 109 3PX 0.00033 -0.00010 0.00003 -0.00382 0.00283 110 3PY -0.00027 -0.00004 0.00000 -0.00016 -0.00069 111 3PZ 0.00007 0.00001 0.00004 -0.00016 0.00028 112 4XX 0.00002 0.00000 0.00000 0.00003 0.00039 113 4YY 0.00000 0.00000 0.00000 0.00000 -0.00004 114 4ZZ 0.00000 0.00000 0.00000 -0.00002 -0.00012 115 4XY 0.00000 0.00000 0.00000 0.00001 0.00001 116 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 120 2PX 0.00000 0.00000 0.00000 -0.00006 -0.00019 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00004 123 3S 0.00005 0.00000 0.00000 -0.00011 0.00083 124 3PX -0.00010 0.00000 0.00000 -0.00053 -0.00132 125 3PY 0.00000 0.00000 0.00000 -0.00007 -0.00008 126 3PZ 0.00002 0.00000 0.00000 -0.00001 0.00030 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00007 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 138 3S 0.00000 0.00000 0.00000 -0.00006 -0.00019 139 3PX -0.00003 0.00000 0.00000 -0.00008 -0.00075 140 3PY 0.00000 0.00000 0.00000 0.00001 -0.00008 141 3PZ 0.00001 0.00000 0.00000 0.00000 0.00016 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00003 150 2PX 0.00000 0.00000 0.00000 -0.00002 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00005 152 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 153 3S 0.00000 0.00000 0.00000 0.00007 -0.00003 154 3PX -0.00001 -0.00002 0.00000 -0.00021 -0.00013 155 3PY 0.00000 0.00000 0.00000 0.00004 0.00007 156 3PZ -0.00001 0.00000 0.00000 -0.00001 -0.00004 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 -0.00001 0.00000 -0.00003 -0.00008 165 2PX -0.00002 -0.00003 -0.00002 -0.00061 -0.00076 166 2PY -0.00003 -0.00002 -0.00001 0.00009 -0.00077 167 2PZ -0.00001 -0.00001 0.00000 -0.00025 -0.00047 168 3S -0.00015 -0.00074 0.00001 -0.00137 0.00048 169 3PX -0.00065 -0.00088 -0.00084 -0.00338 -0.00247 170 3PY -0.00046 -0.00063 -0.00025 -0.00007 -0.00102 171 3PZ -0.00037 -0.00032 -0.00002 -0.00207 -0.00187 172 4XX 0.00000 0.00000 0.00000 0.00002 -0.00003 173 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 175 4XY 0.00001 0.00000 0.00000 0.00000 0.00010 176 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00003 177 4YZ 0.00000 0.00000 0.00000 0.00001 0.00006 178 18 H 1S -0.00001 0.00000 -0.00005 -0.00098 -0.00065 179 2S -0.00019 0.00000 -0.00112 -0.00382 -0.00146 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00001 -0.00006 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00001 0.00005 185 2S 0.00004 0.00002 0.00004 0.00003 0.00041 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 193 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00006 203 2PX 0.00000 0.00000 0.00000 -0.00008 -0.00006 204 2PY 0.00000 0.00000 0.00000 0.00004 0.00002 205 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 206 3S -0.00003 0.00000 0.00000 -0.00023 -0.00026 207 3PX -0.00021 -0.00001 -0.00001 -0.00078 -0.00066 208 3PY 0.00001 0.00000 0.00000 0.00032 -0.00003 209 3PZ -0.00003 0.00000 0.00000 -0.00004 -0.00040 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00003 211 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 3PY 0.05357 62 3PZ 0.00000 0.09378 63 4XX 0.00000 0.00000 0.00124 64 4YY 0.00000 0.00000 -0.00012 0.00176 65 4ZZ 0.00000 0.00000 0.00008 -0.00030 0.00137 66 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 69 9 H 1S 0.03905 0.00242 -0.00092 0.00591 -0.00122 70 2S 0.03247 0.00025 -0.00154 0.00505 -0.00229 71 10 C 1S -0.00033 -0.00156 0.00001 0.00001 -0.00018 72 2S 0.00406 0.02070 -0.00044 -0.00062 0.00270 73 2PX -0.00082 0.00786 0.00004 -0.00012 0.00089 74 2PY 0.00370 0.00729 -0.00008 0.00003 0.00105 75 2PZ 0.00550 0.01019 -0.00092 -0.00097 0.00035 76 3S 0.00321 -0.00618 0.00008 -0.00245 0.00345 77 3PX -0.00111 0.00658 -0.00014 -0.00020 0.00070 78 3PY 0.00560 0.00815 -0.00022 -0.00021 0.00061 79 3PZ 0.00217 0.00000 -0.00007 -0.00103 -0.00013 80 4XX -0.00016 0.00005 0.00001 0.00001 -0.00005 81 4YY -0.00026 -0.00115 0.00000 0.00003 -0.00006 82 4ZZ 0.00040 -0.00031 -0.00003 -0.00007 -0.00001 83 4XY -0.00003 0.00007 0.00000 0.00000 -0.00002 84 4XZ 0.00001 0.00007 0.00001 0.00000 0.00004 85 4YZ 0.00020 0.00011 -0.00003 0.00000 -0.00003 86 11 H 1S 0.00012 -0.00402 0.00000 0.00000 0.00004 87 2S 0.00028 -0.01518 0.00017 -0.00004 0.00008 88 12 C 1S 0.00002 -0.00001 0.00000 0.00000 0.00000 89 2S 0.00011 -0.00024 0.00004 -0.00001 0.00000 90 2PX 0.00002 0.00603 0.00015 -0.00003 0.00002 91 2PY 0.00059 0.00052 0.00002 0.00000 0.00000 92 2PZ 0.00004 0.00024 0.00011 -0.00001 -0.00001 93 3S -0.00029 0.00173 0.00040 -0.00028 0.00003 94 3PX -0.00010 0.01220 0.00080 -0.00048 0.00017 95 3PY 0.00170 -0.00012 0.00005 0.00001 0.00000 96 3PZ -0.00011 -0.00117 0.00048 -0.00018 -0.00006 97 4XX 0.00003 0.00035 0.00000 0.00000 0.00000 98 4YY 0.00000 -0.00011 0.00000 0.00000 0.00000 99 4ZZ -0.00002 0.00004 0.00000 0.00000 0.00000 100 4XY 0.00002 0.00007 0.00000 0.00000 0.00000 101 4XZ 0.00002 0.00002 0.00000 0.00000 0.00000 102 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 -0.00008 0.00000 0.00000 0.00000 105 2PX 0.00007 -0.00012 0.00001 0.00000 0.00000 106 2PY -0.00008 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00001 -0.00017 0.00000 0.00000 0.00000 108 3S -0.00003 0.00006 0.00003 0.00000 0.00000 109 3PX 0.00007 -0.00012 0.00013 -0.00004 0.00001 110 3PY -0.00008 -0.00003 0.00000 0.00000 0.00000 111 3PZ 0.00004 0.00012 0.00001 0.00000 0.00000 112 4XX 0.00001 0.00004 0.00000 0.00000 0.00000 113 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00007 -0.00005 0.00000 0.00000 0.00000 124 3PX -0.00004 -0.00005 0.00000 0.00000 0.00000 125 3PY 0.00004 -0.00001 0.00000 0.00000 0.00000 126 3PZ 0.00001 0.00004 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00009 0.00001 0.00000 0.00000 0.00000 139 3PX -0.00013 0.00003 0.00000 0.00000 0.00000 140 3PY -0.00001 -0.00002 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00002 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00001 0.00000 0.00000 0.00000 0.00000 150 2PX -0.00004 0.00000 0.00000 0.00000 0.00000 151 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 3S 0.00001 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00027 -0.00001 0.00000 0.00000 0.00000 155 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 156 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00001 0.00001 0.00000 0.00000 0.00000 164 2S -0.00002 -0.00015 0.00000 0.00000 0.00000 165 2PX -0.00016 -0.00078 0.00000 0.00000 0.00000 166 2PY 0.00038 -0.00055 0.00000 0.00000 0.00000 167 2PZ 0.00015 -0.00004 0.00000 0.00000 0.00000 168 3S -0.00056 -0.00070 0.00003 0.00002 0.00000 169 3PX -0.00091 -0.00356 0.00007 -0.00008 0.00007 170 3PY 0.00038 -0.00175 -0.00006 0.00006 -0.00002 171 3PZ 0.00006 0.00027 0.00006 -0.00003 0.00002 172 4XX 0.00002 -0.00002 0.00000 0.00000 0.00000 173 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00006 0.00000 0.00000 0.00000 176 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00002 0.00013 0.00000 0.00000 0.00000 179 2S 0.00002 -0.00024 -0.00003 -0.00002 0.00012 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S -0.00006 0.00005 0.00000 0.00000 0.00000 185 2S -0.00049 0.00045 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00005 -0.00005 0.00000 0.00000 0.00000 204 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00001 0.00001 0.00000 0.00000 0.00000 206 3S 0.00005 -0.00006 0.00000 0.00000 0.00000 207 3PX -0.00038 -0.00036 -0.00001 0.00000 0.00000 208 3PY -0.00006 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00010 0.00017 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 4XY 0.00058 67 4XZ 0.00000 0.00073 68 4YZ 0.00000 0.00000 0.00098 69 9 H 1S 0.00049 0.00000 0.00079 0.21366 70 2S 0.00010 0.00000 0.00016 0.10181 0.13514 71 10 C 1S 0.00000 -0.00003 -0.00007 0.00000 0.00014 72 2S 0.00005 0.00029 0.00078 -0.00014 -0.00200 73 2PX 0.00011 0.00120 0.00021 -0.00001 -0.00025 74 2PY 0.00004 0.00005 0.00058 -0.00026 -0.00411 75 2PZ 0.00019 0.00048 0.00146 -0.00029 -0.00319 76 3S 0.00000 0.00009 0.00013 -0.00387 -0.01442 77 3PX 0.00009 0.00104 0.00002 -0.00017 -0.00047 78 3PY -0.00001 -0.00001 0.00013 -0.00014 -0.00128 79 3PZ 0.00002 0.00005 0.00005 -0.00259 -0.00701 80 4XX 0.00000 0.00001 -0.00002 0.00000 0.00006 81 4YY 0.00000 -0.00001 -0.00001 0.00004 0.00060 82 4ZZ -0.00002 0.00004 -0.00010 -0.00002 -0.00047 83 4XY 0.00000 -0.00002 -0.00001 0.00001 0.00004 84 4XZ 0.00002 0.00000 -0.00001 0.00000 -0.00002 85 4YZ -0.00001 -0.00002 -0.00005 0.00005 0.00013 86 11 H 1S 0.00000 0.00001 0.00001 0.00000 -0.00042 87 2S 0.00001 0.00004 0.00005 -0.00043 -0.00259 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 89 2S 0.00000 0.00005 0.00000 0.00000 -0.00029 90 2PX 0.00002 0.00015 0.00001 -0.00002 -0.00101 91 2PY 0.00001 0.00002 0.00000 -0.00001 -0.00067 92 2PZ 0.00001 0.00002 0.00000 0.00000 -0.00032 93 3S -0.00001 0.00019 0.00000 -0.00050 -0.00547 94 3PX 0.00001 0.00029 0.00004 -0.00111 -0.00510 95 3PY 0.00001 0.00005 0.00002 0.00031 0.00100 96 3PZ 0.00002 0.00002 0.00000 -0.00012 -0.00158 97 4XX 0.00000 -0.00001 0.00000 0.00000 -0.00001 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00005 99 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00002 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 101 4XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 105 2PX 0.00000 0.00000 0.00000 0.00000 -0.00009 106 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 -0.00004 -0.00025 109 3PX 0.00000 0.00000 0.00000 -0.00029 -0.00033 110 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00015 111 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00002 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00009 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 125 3PY 0.00000 0.00000 0.00000 0.00000 -0.00003 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 139 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 140 3PY 0.00000 0.00000 0.00000 0.00000 -0.00002 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00001 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00007 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 168 3S 0.00001 0.00002 0.00000 0.00002 0.00050 169 3PX 0.00002 0.00008 -0.00001 0.00000 0.00014 170 3PY 0.00003 -0.00002 0.00000 0.00005 0.00115 171 3PZ 0.00001 0.00001 0.00000 0.00000 0.00005 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00001 0.00000 0.00000 -0.00016 179 2S 0.00000 0.00004 0.00000 -0.00017 0.00017 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 -0.00007 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00002 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00022 204 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00030 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00202 208 3PY 0.00000 0.00000 0.00000 0.00000 -0.00005 209 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 10 C 1S 2.05355 72 2S -0.01405 0.33134 73 2PX 0.00000 0.00000 0.34548 74 2PY 0.00000 0.00000 0.00000 0.41951 75 2PZ 0.00000 0.00000 0.00000 0.00000 0.40636 76 3S -0.03075 0.20797 0.00000 0.00000 0.00000 77 3PX 0.00000 0.00000 0.12411 0.00000 0.00000 78 3PY 0.00000 0.00000 0.00000 0.07768 0.00000 79 3PZ 0.00000 0.00000 0.00000 0.00000 0.06667 80 4XX -0.00094 -0.00993 0.00000 0.00000 0.00000 81 4YY -0.00138 -0.00170 0.00000 0.00000 0.00000 82 4ZZ -0.00144 -0.00081 0.00000 0.00000 0.00000 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S -0.00210 0.03245 0.00892 0.03339 0.05678 87 2S -0.00123 0.01135 0.00563 0.01988 0.03530 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 90 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00002 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 -0.00002 -0.00001 0.00000 -0.00005 93 3S 0.00000 -0.00002 -0.00062 0.00000 -0.00024 94 3PX 0.00001 -0.00051 -0.00015 0.00000 -0.00111 95 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 96 3PZ 0.00002 -0.00048 -0.00027 0.00000 -0.00020 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 105 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00009 0.00022 0.00002 -0.00009 109 3PX 0.00001 -0.00014 0.00000 -0.00004 -0.00008 110 3PY 0.00000 -0.00002 -0.00031 0.00002 -0.00012 111 3PZ 0.00000 -0.00006 -0.00022 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00002 0.00013 0.00000 0.00002 124 3PX 0.00000 -0.00010 0.00017 0.00000 0.00002 125 3PY 0.00000 0.00000 0.00000 -0.00001 0.00000 126 3PZ 0.00000 -0.00002 -0.00001 0.00000 0.00001 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00001 0.00001 0.00000 0.00000 139 3PX 0.00000 -0.00006 0.00002 0.00000 0.00001 140 3PY 0.00000 -0.00001 0.00001 0.00000 0.00000 141 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00001 0.00000 -0.00002 0.00002 154 3PX 0.00000 0.00001 -0.00004 -0.00001 0.00001 155 3PY 0.00000 0.00003 -0.00008 0.00001 -0.00001 156 3PZ 0.00000 0.00000 -0.00006 0.00000 -0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 168 3S 0.00000 -0.00011 -0.00021 -0.00003 -0.00033 169 3PX 0.00000 0.00002 -0.00049 -0.00010 -0.00040 170 3PY 0.00000 -0.00003 0.00017 -0.00001 0.00007 171 3PZ 0.00000 -0.00013 -0.00091 -0.00005 -0.00061 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00003 -0.00001 0.00000 0.00007 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00001 0.00000 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 3S 0.27302 77 3PX 0.00000 0.14496 78 3PY 0.00000 0.00000 0.05524 79 3PZ 0.00000 0.00000 0.00000 0.05197 80 4XX -0.00657 0.00000 0.00000 0.00000 0.00081 81 4YY -0.00100 0.00000 0.00000 0.00000 0.00005 82 4ZZ 0.00044 0.00000 0.00000 0.00000 0.00004 83 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 84 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 11 H 1S 0.05003 0.00424 0.01354 0.02228 -0.00061 87 2S 0.04215 0.00410 0.00977 0.01659 -0.00025 88 12 C 1S 0.00000 0.00003 0.00000 0.00001 0.00000 89 2S -0.00006 -0.00067 0.00000 -0.00050 0.00000 90 2PX 0.00054 -0.00021 0.00000 0.00030 0.00000 91 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 92 2PZ 0.00011 -0.00045 0.00000 -0.00047 0.00000 93 3S 0.00204 -0.00343 0.00000 -0.00053 0.00000 94 3PX 0.00292 -0.00060 0.00000 0.00021 -0.00001 95 3PY 0.00000 0.00001 0.00037 0.00001 0.00000 96 3PZ 0.00224 -0.00162 -0.00001 0.00004 -0.00004 97 4XX 0.00000 0.00005 0.00000 0.00001 0.00000 98 4YY -0.00001 -0.00002 0.00000 -0.00003 0.00000 99 4ZZ 0.00004 0.00005 0.00000 0.00009 0.00000 100 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 101 4XZ 0.00000 0.00007 0.00000 0.00006 0.00000 102 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 103 13 C 1S 0.00001 0.00001 0.00000 0.00002 0.00000 104 2S -0.00022 -0.00050 0.00002 -0.00027 0.00000 105 2PX -0.00016 -0.00053 -0.00010 -0.00012 0.00000 106 2PY 0.00005 -0.00013 0.00001 0.00002 0.00000 107 2PZ 0.00014 -0.00001 -0.00002 0.00017 0.00000 108 3S -0.00048 0.00098 -0.00002 -0.00014 0.00001 109 3PX -0.00018 -0.00028 -0.00027 0.00040 0.00002 110 3PY -0.00028 -0.00113 0.00001 -0.00044 0.00001 111 3PZ -0.00012 -0.00094 -0.00002 0.00011 0.00001 112 4XX 0.00004 -0.00001 -0.00001 0.00002 0.00000 113 4YY -0.00001 0.00001 0.00000 -0.00001 0.00000 114 4ZZ 0.00001 0.00000 0.00000 0.00001 0.00000 115 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00001 0.00006 0.00000 0.00001 0.00000 117 4YZ 0.00001 0.00001 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00001 -0.00016 0.00000 0.00000 0.00000 120 2PX 0.00009 0.00017 0.00000 0.00007 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00004 0.00000 -0.00001 0.00000 123 3S 0.00022 0.00104 0.00000 0.00011 0.00000 124 3PX 0.00073 0.00181 0.00001 0.00039 0.00002 125 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 126 3PZ -0.00003 0.00018 0.00000 -0.00006 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 135 2PX 0.00001 0.00000 0.00002 0.00001 0.00000 136 2PY -0.00001 -0.00001 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00001 0.00000 -0.00001 0.00000 138 3S -0.00010 0.00000 0.00004 -0.00002 0.00000 139 3PX -0.00003 0.00075 0.00014 0.00012 0.00001 140 3PY 0.00000 -0.00005 0.00000 0.00001 0.00000 141 3PZ 0.00003 0.00005 0.00001 -0.00007 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00003 -0.00003 0.00001 0.00002 0.00000 150 2PX 0.00002 -0.00009 -0.00002 0.00000 0.00000 151 2PY 0.00000 -0.00001 -0.00001 0.00001 0.00000 152 2PZ -0.00001 -0.00007 -0.00001 -0.00002 0.00000 153 3S 0.00008 -0.00003 -0.00017 0.00012 0.00000 154 3PX 0.00012 -0.00029 -0.00015 0.00000 0.00000 155 3PY 0.00030 -0.00055 0.00006 -0.00001 0.00000 156 3PZ 0.00007 -0.00043 0.00002 -0.00004 0.00000 157 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 158 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 160 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 164 2S -0.00001 -0.00017 0.00000 -0.00018 0.00000 165 2PX -0.00008 -0.00039 -0.00013 -0.00066 0.00000 166 2PY -0.00011 0.00009 -0.00001 -0.00013 0.00000 167 2PZ -0.00011 -0.00107 -0.00029 -0.00066 0.00000 168 3S -0.00119 -0.00150 -0.00044 -0.00212 0.00001 169 3PX -0.00054 -0.00116 -0.00089 -0.00328 0.00001 170 3PY -0.00124 0.00086 -0.00005 -0.00032 0.00000 171 3PZ -0.00078 -0.00469 -0.00111 -0.00266 0.00002 172 4XX -0.00001 0.00000 -0.00001 -0.00001 0.00000 173 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 174 4ZZ 0.00001 0.00001 0.00000 0.00002 0.00000 175 4XY 0.00001 0.00000 0.00000 0.00001 0.00000 176 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 177 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 178 18 H 1S 0.00002 -0.00003 0.00001 0.00002 0.00000 179 2S 0.00026 -0.00014 0.00011 0.00042 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S -0.00004 -0.00004 -0.00001 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 0.00005 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00001 0.00001 0.00000 185 2S 0.00008 0.00012 0.00014 0.00022 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 192 3PX 0.00001 0.00002 0.00002 0.00001 0.00000 193 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00002 0.00001 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00002 -0.00001 0.00001 -0.00001 0.00000 204 2PY -0.00001 0.00001 0.00000 -0.00001 0.00000 205 2PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 206 3S -0.00005 -0.00028 0.00000 -0.00007 0.00000 207 3PX -0.00032 -0.00009 0.00009 -0.00013 0.00000 208 3PY -0.00006 -0.00003 0.00001 -0.00010 0.00000 209 3PZ -0.00009 -0.00026 0.00001 0.00000 0.00000 210 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 4YY 0.00114 82 4ZZ -0.00019 0.00117 83 4XY 0.00000 0.00000 0.00072 84 4XZ 0.00000 0.00000 0.00000 0.00063 85 4YZ 0.00000 0.00000 0.00000 0.00000 0.00146 86 11 H 1S -0.00032 0.00152 0.00054 0.00077 0.00336 87 2S -0.00030 0.00187 0.00012 0.00012 0.00070 88 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 89 2S 0.00000 0.00000 0.00000 0.00000 0.00000 90 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 93 3S -0.00002 0.00002 0.00000 0.00002 0.00000 94 3PX -0.00002 0.00007 0.00000 0.00006 0.00000 95 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 96 3PZ -0.00004 0.00007 0.00000 0.00012 0.00000 97 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 99 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00000 0.00000 109 3PX 0.00000 -0.00001 0.00001 0.00001 0.00000 110 3PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 111 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX -0.00001 -0.00001 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00000 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 3S 0.00001 -0.00001 -0.00001 0.00000 0.00000 169 3PX -0.00001 -0.00003 0.00000 0.00000 -0.00001 170 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 171 3PZ 0.00000 -0.00002 0.00000 0.00001 0.00000 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 11 H 1S 0.21459 87 2S 0.10561 0.14180 88 12 C 1S 0.00000 0.00000 2.05568 89 2S 0.00000 0.00000 -0.01304 0.31928 90 2PX 0.00000 0.00000 0.00000 0.00000 0.35917 91 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 93 3S 0.00000 -0.00003 -0.04300 0.27661 0.00000 94 3PX 0.00002 0.00019 0.00000 0.00000 0.12382 95 3PY 0.00000 -0.00002 0.00000 0.00000 0.00000 96 3PZ -0.00003 -0.00018 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00101 -0.00763 0.00000 98 4YY 0.00000 0.00000 -0.00130 -0.00138 0.00000 99 4ZZ 0.00000 0.00000 -0.00124 -0.00297 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 -0.00030 -0.00077 104 2S 0.00000 -0.00002 -0.00030 0.00788 0.01433 105 2PX 0.00000 0.00008 -0.00078 0.01385 0.00634 106 2PY 0.00000 0.00000 -0.00041 0.00642 0.01358 107 2PZ 0.00000 0.00005 -0.00053 0.00942 0.02139 108 3S 0.00003 0.00041 0.00054 0.00299 0.01336 109 3PX -0.00001 0.00037 0.00051 0.00086 0.00026 110 3PY 0.00000 0.00000 0.00051 0.00201 0.00515 111 3PZ -0.00005 0.00008 0.00034 -0.00069 0.00401 112 4XX 0.00000 0.00000 -0.00003 0.00051 -0.00067 113 4YY 0.00000 0.00000 0.00001 -0.00027 -0.00008 114 4ZZ 0.00000 0.00000 -0.00001 0.00004 0.00015 115 4XY 0.00000 0.00000 -0.00008 0.00110 0.00045 116 4XZ 0.00000 0.00000 -0.00006 0.00079 0.00018 117 4YZ 0.00000 0.00000 -0.00007 0.00101 0.00190 118 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00001 0.00000 -0.00007 -0.00016 120 2PX 0.00000 0.00003 0.00000 -0.00014 -0.00015 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00003 0.00000 -0.00015 -0.00036 123 3S -0.00001 -0.00015 0.00010 -0.00259 -0.00360 124 3PX -0.00002 0.00035 0.00007 -0.00159 -0.00076 125 3PY 0.00000 0.00004 0.00000 -0.00002 -0.00006 126 3PZ 0.00000 0.00027 0.00006 -0.00146 -0.00285 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00003 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 135 2PX 0.00000 0.00000 0.00000 -0.00001 0.00001 136 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 138 3S 0.00000 0.00005 0.00001 0.00003 -0.00039 139 3PX -0.00001 0.00005 0.00002 -0.00033 0.00027 140 3PY 0.00000 0.00005 0.00001 0.00008 0.00003 141 3PZ 0.00000 -0.00001 0.00002 -0.00024 -0.00073 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00005 -0.00003 150 2PX 0.00000 0.00000 0.00000 -0.00005 -0.00002 151 2PY 0.00000 0.00000 0.00000 -0.00013 -0.00002 152 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00001 153 3S 0.00000 -0.00001 -0.00001 -0.00052 0.00008 154 3PX 0.00000 -0.00003 0.00000 -0.00020 0.00004 155 3PY 0.00000 -0.00002 -0.00018 0.00155 0.00023 156 3PZ 0.00000 0.00001 0.00002 -0.00044 -0.00013 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00002 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 163 17 C 1S 0.00000 0.00000 0.00000 -0.00051 0.00000 164 2S 0.00000 0.00000 -0.00051 0.01091 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.01381 166 2PY 0.00000 0.00000 -0.00255 0.03913 0.00000 167 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 3S 0.00000 0.00000 0.00178 -0.00340 0.00000 169 3PX 0.00000 -0.00013 0.00000 0.00000 0.02011 170 3PY 0.00000 -0.00002 0.00047 0.00779 0.00000 171 3PZ 0.00000 -0.00013 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 0.00000 -0.00042 0.00000 173 4YY 0.00000 0.00000 -0.00024 0.00321 0.00000 174 4ZZ 0.00000 0.00000 0.00000 -0.00046 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00198 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 -0.00201 0.03202 0.01167 179 2S 0.00000 -0.00005 -0.00093 0.01131 0.00750 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00006 0.00000 0.00011 0.00022 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 -0.00018 -0.00003 185 2S 0.00000 0.00000 0.00021 -0.00300 -0.00045 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 -0.00001 -0.00001 203 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00001 204 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00007 205 2PZ 0.00000 0.00001 0.00000 -0.00003 -0.00005 206 3S 0.00000 0.00000 0.00001 -0.00006 0.00009 207 3PX 0.00000 -0.00001 0.00006 -0.00130 -0.00011 208 3PY 0.00000 -0.00003 0.00004 -0.00059 -0.00089 209 3PZ 0.00000 0.00008 0.00004 -0.00095 -0.00115 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 91 92 93 94 95 91 2PY 0.42057 92 2PZ 0.00000 0.38844 93 3S 0.00000 0.00000 0.55225 94 3PX 0.00000 0.00000 0.00000 0.14602 95 3PY 0.07431 0.00000 0.00000 0.00000 0.07150 96 3PZ 0.00000 0.11111 0.00000 0.00000 0.00000 97 4XX 0.00000 0.00000 -0.00566 0.00000 0.00000 98 4YY 0.00000 0.00000 -0.00391 0.00000 0.00000 99 4ZZ 0.00000 0.00000 -0.00169 0.00000 0.00000 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S -0.00045 -0.00057 0.00111 -0.00015 -0.00113 104 2S 0.00887 0.01088 -0.00104 0.00614 0.00855 105 2PX 0.01400 0.02134 0.02073 -0.00081 0.00926 106 2PY 0.00101 0.00845 0.01427 0.00896 0.00172 107 2PZ 0.00845 0.00194 0.01510 0.01425 0.00590 108 3S 0.00746 0.00960 -0.02453 0.00659 0.00600 109 3PX 0.00173 0.00398 -0.00727 0.00260 0.00241 110 3PY 0.00200 0.00287 -0.00764 0.00197 0.00028 111 3PZ 0.00096 0.00130 -0.00177 0.00410 0.00012 112 4XX 0.00091 0.00089 0.00352 -0.00091 0.00019 113 4YY -0.00037 -0.00030 -0.00166 0.00012 -0.00035 114 4ZZ 0.00028 -0.00043 0.00038 0.00090 -0.00023 115 4XY 0.00012 0.00159 0.00143 -0.00001 0.00000 116 4XZ 0.00081 -0.00009 0.00044 0.00000 0.00009 117 4YZ 0.00013 0.00015 0.00113 0.00061 0.00001 118 14 C 1S 0.00000 0.00000 0.00013 0.00012 0.00000 119 2S 0.00000 -0.00014 -0.00287 -0.00238 0.00001 120 2PX 0.00000 -0.00029 -0.00384 -0.00151 0.00005 121 2PY -0.00002 0.00000 -0.00003 -0.00001 -0.00041 122 2PZ 0.00000 -0.00020 -0.00384 -0.00360 0.00004 123 3S 0.00003 -0.00348 -0.02426 -0.00915 0.00001 124 3PX 0.00001 -0.00291 -0.00849 -0.00104 0.00008 125 3PY -0.00039 -0.00005 -0.00001 -0.00011 -0.00287 126 3PZ 0.00001 -0.00121 -0.00590 -0.00551 0.00007 127 4XX 0.00000 0.00003 0.00013 0.00001 0.00000 128 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 129 4ZZ 0.00000 0.00000 0.00007 0.00029 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 131 4XZ 0.00000 0.00002 0.00004 0.00006 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 133 15 C 1S 0.00000 0.00000 0.00000 0.00002 0.00000 134 2S 0.00000 0.00000 0.00019 -0.00041 0.00002 135 2PX 0.00000 -0.00002 -0.00004 0.00024 0.00019 136 2PY 0.00000 -0.00001 -0.00013 -0.00019 -0.00009 137 2PZ -0.00001 0.00001 -0.00004 -0.00056 -0.00015 138 3S -0.00008 -0.00011 0.00483 -0.00212 0.00249 139 3PX -0.00004 -0.00044 -0.00107 0.00068 0.00060 140 3PY -0.00008 -0.00012 0.00259 -0.00014 0.00003 141 3PZ -0.00024 0.00033 -0.00162 -0.00207 -0.00084 142 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 143 4YY 0.00000 0.00000 0.00000 -0.00002 0.00001 144 4ZZ 0.00000 0.00000 -0.00001 0.00002 0.00000 145 4XY 0.00000 0.00000 -0.00004 -0.00002 0.00001 146 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 147 4YZ 0.00000 0.00000 -0.00003 -0.00003 0.00001 148 16 C 1S 0.00000 0.00000 -0.00006 0.00000 0.00000 149 2S -0.00021 -0.00001 0.00002 -0.00043 -0.00126 150 2PX -0.00018 -0.00002 -0.00031 0.00004 -0.00053 151 2PY -0.00036 -0.00004 -0.00367 -0.00016 -0.00429 152 2PZ -0.00005 -0.00001 -0.00065 -0.00021 -0.00011 153 3S -0.00274 -0.00078 0.00235 0.00137 -0.00324 154 3PX -0.00035 -0.00035 0.00012 0.00023 0.00148 155 3PY 0.00175 0.00011 0.00664 0.00032 0.00251 156 3PZ -0.00014 0.00015 -0.00234 -0.00062 0.00042 157 4XX -0.00001 0.00000 -0.00012 -0.00010 -0.00044 158 4YY 0.00008 0.00000 0.00025 0.00007 0.00055 159 4ZZ 0.00000 0.00000 -0.00011 0.00007 -0.00003 160 4XY 0.00001 0.00001 -0.00011 0.00000 -0.00022 161 4XZ 0.00000 0.00000 -0.00002 0.00000 -0.00003 162 4YZ 0.00001 0.00000 -0.00015 0.00009 -0.00012 163 17 C 1S -0.00255 0.00000 0.00178 0.00000 0.00047 164 2S 0.03913 0.00000 -0.00340 0.00000 0.00779 165 2PX 0.00000 0.00000 0.00000 0.02011 0.00000 166 2PY 0.09867 0.00000 0.03292 0.00000 0.02182 167 2PZ 0.00000 0.00811 0.00000 0.00000 0.00000 168 3S 0.03292 0.00000 -0.10119 0.00000 -0.03112 169 3PX 0.00000 0.00000 0.00000 0.03189 0.00000 170 3PY 0.02182 0.00000 -0.03113 0.00000 0.00235 171 3PZ 0.00000 0.01162 0.00000 0.00000 0.00000 172 4XX -0.00103 0.00000 -0.00098 0.00000 -0.00090 173 4YY 0.00241 0.00000 0.00430 0.00000 0.00140 174 4ZZ -0.00122 0.00000 -0.00117 0.00000 -0.00126 175 4XY 0.00000 0.00000 0.00000 0.00133 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00200 0.00000 0.00000 0.00000 178 18 H 1S 0.02442 0.06301 0.04245 0.00670 0.00826 179 2S 0.01282 0.03868 -0.00198 0.00637 0.00644 180 19 H 1S 0.00000 0.00000 0.00009 0.00012 0.00002 181 2S 0.00002 0.00019 0.00247 0.00208 0.00015 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00001 -0.00040 -0.00008 -0.00002 184 21 H 1S -0.00052 -0.00007 -0.00323 -0.00020 -0.00353 185 2S -0.00609 -0.00122 -0.00507 -0.00093 -0.00599 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00003 0.00000 0.00013 189 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 190 2PZ 0.00000 0.00000 0.00002 -0.00001 0.00005 191 3S 0.00002 0.00000 0.00009 -0.00004 0.00025 192 3PX 0.00002 0.00000 0.00048 0.00000 0.00137 193 3PY 0.00005 0.00000 0.00075 -0.00008 0.00109 194 3PZ 0.00000 0.00000 0.00028 -0.00012 0.00047 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00001 -0.00003 0.00002 202 2S -0.00005 0.00000 -0.00068 0.00023 0.00026 203 2PX -0.00013 -0.00005 -0.00412 -0.00006 0.00124 204 2PY -0.00012 -0.00002 -0.00297 -0.00210 0.00122 205 2PZ -0.00006 0.00000 -0.00189 -0.00078 0.00049 206 3S -0.00186 0.00014 0.00043 0.00241 -0.00225 207 3PX -0.00277 -0.00104 -0.01955 0.00002 0.00291 208 3PY -0.00209 -0.00010 -0.00984 -0.00553 0.00208 209 3PZ -0.00127 0.00002 -0.00927 -0.00328 0.00139 210 4XX 0.00001 0.00000 0.00001 -0.00001 0.00005 211 4YY 0.00002 0.00000 -0.00043 -0.00027 0.00027 212 4ZZ 0.00001 0.00000 0.00012 0.00004 -0.00009 213 4XY 0.00001 0.00001 -0.00026 0.00000 0.00019 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 215 4YZ 0.00000 0.00000 -0.00008 0.00002 0.00007 96 97 98 99 100 96 3PZ 0.11600 97 4XX 0.00000 0.00093 98 4YY 0.00000 -0.00004 0.00091 99 4ZZ 0.00000 0.00007 -0.00008 0.00090 100 4XY 0.00000 0.00000 0.00000 0.00000 0.00093 101 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00030 -0.00003 0.00000 -0.00001 -0.00006 104 2S 0.00211 0.00057 -0.00026 0.00003 0.00090 105 2PX 0.01085 -0.00034 -0.00022 -0.00004 0.00042 106 2PY 0.00722 0.00042 -0.00028 0.00001 0.00001 107 2PZ -0.00214 0.00051 -0.00013 -0.00031 0.00095 108 3S 0.00097 0.00109 -0.00059 0.00013 0.00029 109 3PX 0.00091 -0.00041 0.00021 0.00045 0.00000 110 3PY -0.00075 0.00022 0.00014 -0.00039 -0.00008 111 3PZ 0.00136 0.00062 -0.00012 -0.00032 0.00010 112 4XX 0.00192 0.00000 -0.00007 0.00001 -0.00001 113 4YY -0.00078 -0.00003 0.00002 -0.00003 0.00000 114 4ZZ -0.00054 -0.00003 -0.00004 0.00001 -0.00007 115 4XY 0.00052 0.00000 -0.00001 -0.00007 0.00002 116 4XZ 0.00003 -0.00001 -0.00004 0.00001 0.00000 117 4YZ -0.00001 -0.00006 -0.00001 -0.00001 -0.00001 118 14 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 119 2S -0.00163 0.00000 0.00000 0.00001 0.00000 120 2PX -0.00209 0.00000 0.00000 0.00003 0.00000 121 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 122 2PZ -0.00144 0.00002 0.00000 0.00001 0.00000 123 3S -0.00688 0.00005 -0.00001 0.00017 0.00000 124 3PX -0.00359 -0.00006 -0.00008 0.00032 0.00000 125 3PY -0.00008 0.00000 0.00000 0.00000 -0.00003 126 3PZ -0.00112 0.00019 -0.00008 0.00005 0.00000 127 4XX 0.00025 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00007 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00007 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 134 2S -0.00002 0.00000 0.00000 0.00000 0.00000 135 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 136 2PY -0.00022 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00022 0.00000 0.00000 0.00000 0.00000 138 3S -0.00064 -0.00002 0.00000 0.00000 -0.00003 139 3PX -0.00044 -0.00002 -0.00001 0.00004 -0.00001 140 3PY -0.00054 -0.00002 0.00001 0.00000 0.00001 141 3PZ 0.00037 0.00003 0.00000 -0.00002 -0.00002 142 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 4XY -0.00003 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 147 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00002 0.00000 0.00000 0.00000 0.00000 149 2S 0.00019 0.00000 0.00000 0.00000 0.00001 150 2PX -0.00004 0.00000 0.00001 0.00000 0.00000 151 2PY -0.00033 0.00000 0.00001 0.00000 0.00003 152 2PZ 0.00018 0.00000 0.00001 0.00000 0.00002 153 3S -0.00119 0.00002 -0.00001 0.00005 0.00006 154 3PX -0.00047 -0.00001 0.00000 0.00002 0.00000 155 3PY 0.00070 -0.00003 0.00004 -0.00008 0.00007 156 3PZ 0.00086 0.00002 0.00001 0.00001 0.00002 157 4XX 0.00008 0.00000 0.00000 0.00000 0.00000 158 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 -0.00024 0.00000 0.00000 164 2S 0.00000 -0.00042 0.00321 -0.00046 0.00000 165 2PX 0.00000 0.00000 0.00000 0.00000 0.00198 166 2PY 0.00000 -0.00103 0.00241 -0.00122 0.00000 167 2PZ 0.01162 0.00000 0.00000 0.00000 0.00000 168 3S 0.00000 -0.00098 0.00430 -0.00117 0.00000 169 3PX 0.00000 0.00000 0.00000 0.00000 0.00133 170 3PY 0.00000 -0.00090 0.00140 -0.00126 0.00000 171 3PZ 0.01819 0.00000 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00002 -0.00005 0.00001 0.00000 173 4YY 0.00000 -0.00005 0.00002 -0.00003 0.00000 174 4ZZ 0.00000 0.00001 -0.00003 0.00002 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 -0.00008 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00105 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.03507 -0.00082 -0.00082 0.00259 0.00051 179 2S 0.03462 -0.00081 -0.00120 0.00297 0.00012 180 19 H 1S 0.00009 0.00000 0.00000 0.00000 0.00000 181 2S 0.00158 0.00000 0.00000 -0.00001 0.00000 182 20 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 183 2S -0.00021 0.00000 0.00000 0.00000 0.00000 184 21 H 1S -0.00074 0.00000 0.00002 0.00000 0.00001 185 2S -0.00293 0.00015 -0.00011 0.00009 0.00006 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00002 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00011 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 202 2S 0.00011 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00127 0.00000 0.00001 0.00000 0.00000 204 2PY -0.00132 0.00000 0.00002 0.00000 0.00001 205 2PZ -0.00012 0.00000 0.00000 0.00000 0.00000 206 3S 0.00156 0.00000 0.00008 -0.00001 -0.00001 207 3PX -0.00449 -0.00005 0.00029 0.00004 -0.00002 208 3PY -0.00293 0.00002 0.00032 -0.00008 0.00016 209 3PZ -0.00074 0.00007 0.00006 -0.00001 0.00006 210 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00019 0.00000 0.00000 0.00000 0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY -0.00006 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ -0.00003 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 4XZ 0.00064 102 4YZ 0.00000 0.00124 103 13 C 1S -0.00006 -0.00004 2.05392 104 2S 0.00091 0.00061 -0.01557 0.35892 105 2PX 0.00032 0.00097 0.00000 0.00000 0.35088 106 2PY 0.00095 0.00001 0.00000 0.00000 0.00000 107 2PZ 0.00007 0.00011 0.00000 0.00000 0.00000 108 3S 0.00028 0.00033 -0.02739 0.20449 0.00000 109 3PX 0.00000 0.00016 0.00000 0.00000 0.05640 110 3PY 0.00009 -0.00007 0.00000 0.00000 0.00000 111 3PZ 0.00001 0.00002 0.00000 0.00000 0.00000 112 4XX -0.00001 -0.00006 -0.00093 -0.00981 0.00000 113 4YY -0.00006 0.00000 -0.00120 -0.00270 0.00000 114 4ZZ 0.00001 -0.00002 -0.00093 -0.00970 0.00000 115 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 116 4XZ 0.00003 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00002 0.00001 0.00000 0.00000 0.00000 118 14 C 1S 0.00000 0.00000 0.00000 -0.00026 -0.00049 119 2S 0.00000 0.00000 -0.00028 0.00716 0.00885 120 2PX 0.00002 0.00000 -0.00050 0.00950 0.00117 121 2PY 0.00000 0.00000 -0.00046 0.00911 0.00882 122 2PZ 0.00002 0.00000 -0.00073 0.01366 0.01915 123 3S 0.00001 0.00000 0.00113 -0.00318 0.01366 124 3PX 0.00006 0.00000 0.00035 0.00128 -0.00115 125 3PY 0.00000 -0.00003 -0.00108 0.00733 0.00670 126 3PZ 0.00004 0.00000 0.00024 0.00295 0.01048 127 4XX 0.00000 0.00000 -0.00001 0.00014 -0.00024 128 4YY 0.00000 0.00000 0.00000 -0.00021 -0.00008 129 4ZZ 0.00000 0.00000 -0.00003 0.00057 0.00039 130 4XY 0.00000 0.00000 -0.00004 0.00062 0.00011 131 4XZ 0.00000 0.00000 -0.00005 0.00076 0.00000 132 4YZ 0.00000 0.00000 -0.00006 0.00093 0.00095 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00006 -0.00004 135 2PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 136 2PY 0.00000 0.00000 0.00000 -0.00025 -0.00009 137 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00001 138 3S -0.00001 -0.00003 -0.00007 0.00016 -0.00024 139 3PX 0.00001 -0.00002 -0.00003 0.00015 0.00011 140 3PY -0.00001 0.00001 0.00001 -0.00151 -0.00011 141 3PZ 0.00000 -0.00002 -0.00003 0.00000 -0.00010 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00001 0.00002 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00001 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00002 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00001 0.00000 -0.00002 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00007 0.00003 -0.00046 0.00000 154 3PX 0.00000 0.00003 0.00000 0.00000 -0.00009 155 3PY 0.00000 0.00004 0.00010 -0.00131 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00005 -0.00005 165 2PX 0.00000 0.00000 0.00000 -0.00003 -0.00002 166 2PY 0.00000 0.00000 0.00000 -0.00021 -0.00018 167 2PZ 0.00000 0.00200 0.00000 -0.00001 -0.00002 168 3S 0.00000 0.00000 -0.00006 0.00002 -0.00031 169 3PX 0.00000 0.00000 0.00000 -0.00043 0.00004 170 3PY 0.00000 0.00000 0.00000 -0.00126 -0.00053 171 3PZ 0.00000 0.00105 -0.00002 0.00019 -0.00004 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 -0.00024 0.00000 0.00001 0.00002 178 18 H 1S 0.00090 0.00280 0.00000 -0.00016 -0.00033 179 2S 0.00013 0.00056 0.00025 -0.00378 -0.00439 180 19 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00028 181 2S 0.00000 0.00000 0.00025 -0.00361 -0.00429 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00009 0.00008 184 21 H 1S 0.00000 0.00007 0.00000 0.00000 0.00000 185 2S 0.00000 0.00029 0.00000 0.00009 0.00010 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 -0.00027 -0.00003 202 2S 0.00000 0.00000 -0.00015 0.00376 0.00050 203 2PX 0.00000 0.00000 -0.00003 0.00074 0.01506 204 2PY 0.00000 0.00000 -0.00177 0.04211 0.00404 205 2PZ 0.00000 0.00000 -0.00002 0.00038 -0.00049 206 3S 0.00000 0.00000 -0.00100 -0.01109 -0.00016 207 3PX 0.00000 0.00005 -0.00015 0.00108 0.02909 208 3PY -0.00005 0.00005 -0.00836 0.06337 0.00339 209 3PZ 0.00001 0.00001 -0.00007 0.00057 -0.00054 210 4XX 0.00000 0.00000 0.00002 -0.00068 0.00005 211 4YY 0.00000 0.00000 -0.00079 0.00759 0.00075 212 4ZZ 0.00000 0.00000 0.00001 -0.00070 -0.00002 213 4XY 0.00000 0.00000 -0.00004 0.00024 0.00379 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 215 4YZ 0.00000 0.00000 -0.00002 0.00010 -0.00003 106 107 108 109 110 106 2PY 0.42509 107 2PZ 0.00000 0.35653 108 3S 0.00000 0.00000 0.22043 109 3PX 0.00000 0.00000 0.00000 0.05208 110 3PY -0.00513 0.00000 0.00000 0.00000 0.03647 111 3PZ 0.00000 0.05810 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00462 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00426 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00436 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S -0.00043 -0.00073 0.00008 0.00026 -0.00016 119 2S 0.00704 0.01360 0.00628 -0.00061 0.00445 120 2PX 0.00852 0.01984 0.00957 0.00159 0.00364 121 2PY 0.00174 0.01423 0.00841 0.00158 0.00200 122 2PZ 0.01408 0.00748 0.01501 0.00298 0.00641 123 3S 0.01453 0.01730 -0.00863 -0.00054 -0.00371 124 3PX 0.00655 0.01085 0.00230 0.00276 0.00018 125 3PY 0.00178 0.01040 0.00501 0.00051 0.00064 126 3PZ 0.01010 -0.00074 0.00612 0.00292 0.00181 127 4XX 0.00012 0.00012 0.00030 -0.00029 -0.00027 128 4YY -0.00032 -0.00011 -0.00055 -0.00015 0.00012 129 4ZZ 0.00045 -0.00040 0.00077 0.00059 0.00003 130 4XY 0.00004 0.00094 0.00035 0.00002 -0.00007 131 4XZ 0.00088 0.00023 0.00024 0.00000 0.00003 132 4YZ 0.00004 0.00048 0.00044 0.00011 -0.00010 133 15 C 1S 0.00000 0.00000 0.00001 0.00002 -0.00015 134 2S -0.00016 -0.00006 -0.00076 -0.00036 0.00164 135 2PX -0.00006 0.00001 -0.00082 0.00020 -0.00035 136 2PY -0.00044 -0.00018 -0.00264 -0.00051 0.00265 137 2PZ -0.00003 -0.00003 -0.00074 -0.00032 -0.00009 138 3S -0.00428 0.00002 0.00048 -0.00163 0.00462 139 3PX -0.00045 -0.00001 -0.00098 0.00056 -0.00022 140 3PY -0.00440 0.00002 -0.00446 -0.00003 0.00244 141 3PZ -0.00025 0.00001 -0.00025 -0.00086 0.00034 142 4XX 0.00000 0.00000 0.00003 0.00001 -0.00008 143 4YY 0.00002 0.00001 0.00002 0.00000 0.00007 144 4ZZ 0.00000 0.00000 0.00005 0.00002 -0.00006 145 4XY 0.00002 0.00002 0.00008 0.00000 0.00007 146 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 147 4YZ 0.00003 0.00001 0.00011 0.00003 0.00010 148 16 C 1S 0.00000 0.00000 0.00003 0.00000 0.00010 149 2S -0.00002 0.00000 -0.00046 0.00000 -0.00131 150 2PX 0.00000 0.00000 0.00000 -0.00009 0.00000 151 2PY -0.00006 0.00000 -0.00063 0.00000 0.00073 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00063 0.00000 -0.00335 0.00000 -0.00473 154 3PX 0.00000 0.00000 0.00000 0.00018 0.00000 155 3PY 0.00073 0.00000 -0.00473 0.00000 -0.00122 156 3PZ 0.00000 -0.00008 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00001 0.00000 0.00003 158 4YY 0.00000 0.00000 -0.00002 0.00000 0.00008 159 4ZZ 0.00000 0.00000 0.00002 0.00000 0.00002 160 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 -0.00001 0.00000 -0.00018 164 2S -0.00013 -0.00004 -0.00052 -0.00020 0.00155 165 2PX -0.00002 0.00001 0.00008 0.00003 0.00023 166 2PY -0.00036 -0.00005 -0.00274 -0.00035 0.00175 167 2PZ -0.00004 -0.00001 -0.00078 -0.00035 0.00011 168 3S -0.00367 -0.00065 0.00235 0.00012 0.00663 169 3PX -0.00016 -0.00021 0.00137 0.00023 0.00033 170 3PY -0.00429 -0.00011 -0.00324 0.00148 0.00251 171 3PZ -0.00033 0.00018 -0.00119 -0.00047 0.00070 172 4XX 0.00000 0.00000 0.00002 -0.00001 -0.00003 173 4YY 0.00001 0.00001 -0.00001 0.00000 0.00004 174 4ZZ 0.00000 0.00000 0.00005 0.00002 -0.00008 175 4XY 0.00003 0.00002 0.00006 0.00000 0.00007 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00001 0.00000 0.00007 0.00003 0.00004 178 18 H 1S -0.00002 -0.00031 -0.00246 -0.00089 -0.00043 179 2S 0.00010 -0.00468 -0.00885 -0.00224 -0.00086 180 19 H 1S -0.00002 -0.00036 -0.00263 0.00005 -0.00052 181 2S 0.00010 -0.00534 -0.01118 0.00051 -0.00117 182 20 H 1S 0.00000 0.00000 0.00009 0.00004 0.00003 183 2S 0.00015 0.00013 0.00131 0.00038 0.00031 184 21 H 1S 0.00000 0.00000 0.00008 0.00004 0.00000 185 2S 0.00012 0.00008 0.00099 0.00045 -0.00011 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 192 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 193 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00016 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00197 -0.00002 0.00152 0.00000 0.00011 202 2S 0.02845 0.00027 -0.02248 -0.00017 -0.01278 203 2PX 0.00409 -0.00048 0.00081 0.02075 -0.00030 204 2PY 0.09887 0.00216 0.02242 0.00035 -0.00514 205 2PZ 0.00209 0.01544 0.00017 -0.00013 -0.00005 206 3S 0.00931 -0.00011 -0.07472 -0.00055 -0.01899 207 3PX 0.00356 -0.00053 0.00173 0.04685 -0.00053 208 3PY 0.05263 0.00190 0.04167 0.00055 -0.00168 209 3PZ 0.00188 0.02852 0.00026 -0.00020 -0.00008 210 4XX -0.00080 -0.00002 -0.00043 -0.00005 0.00118 211 4YY 0.00902 0.00040 0.00583 0.00017 -0.00178 212 4ZZ -0.00090 0.00002 -0.00051 0.00000 0.00118 213 4XY 0.00061 -0.00003 0.00007 0.00140 -0.00001 214 4XZ 0.00002 0.00008 0.00000 0.00002 0.00000 215 4YZ 0.00030 0.00403 0.00003 -0.00001 0.00000 111 112 113 114 115 111 3PZ 0.05181 112 4XX 0.00000 0.00204 113 4YY 0.00000 -0.00034 0.00224 114 4ZZ 0.00000 0.00030 -0.00029 0.00197 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00342 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 C 1S 0.00020 0.00000 0.00001 -0.00003 -0.00006 119 2S 0.00121 -0.00002 -0.00023 0.00060 0.00101 120 2PX 0.00433 -0.00035 -0.00010 0.00073 0.00013 121 2PY 0.00187 0.00019 -0.00042 0.00095 0.00020 122 2PZ 0.00009 0.00008 -0.00019 -0.00054 0.00179 123 3S -0.00731 0.00035 -0.00105 0.00290 0.00108 124 3PX 0.00236 -0.00061 -0.00025 0.00159 -0.00003 125 3PY 0.00281 -0.00020 -0.00026 0.00007 -0.00001 126 3PZ 0.00150 0.00099 -0.00029 -0.00044 0.00049 127 4XX 0.00048 0.00000 -0.00002 0.00001 -0.00001 128 4YY 0.00021 -0.00003 0.00002 -0.00006 -0.00001 129 4ZZ -0.00044 0.00001 -0.00005 0.00000 -0.00004 130 4XY 0.00016 -0.00001 0.00000 -0.00009 0.00002 131 4XZ 0.00000 0.00000 -0.00007 0.00002 0.00001 132 4YZ 0.00000 -0.00009 0.00000 -0.00001 -0.00002 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00018 0.00000 0.00002 0.00000 0.00000 135 2PX -0.00029 0.00000 0.00000 0.00001 -0.00001 136 2PY -0.00039 -0.00001 0.00009 -0.00001 0.00001 137 2PZ 0.00006 0.00001 0.00001 0.00000 0.00002 138 3S 0.00045 -0.00008 0.00025 -0.00019 -0.00011 139 3PX -0.00055 -0.00008 -0.00004 0.00015 0.00005 140 3PY 0.00164 -0.00006 0.00042 -0.00027 -0.00014 141 3PZ 0.00025 0.00013 0.00002 -0.00012 0.00013 142 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00004 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ -0.00008 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00001 -0.00002 0.00002 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 155 3PY 0.00000 0.00003 0.00008 0.00002 0.00000 156 3PZ 0.00027 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00003 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 164 2S -0.00044 0.00000 0.00002 0.00000 0.00000 165 2PX -0.00013 0.00000 0.00001 0.00000 0.00000 166 2PY -0.00014 -0.00001 0.00008 0.00000 0.00001 167 2PZ 0.00015 0.00000 0.00000 0.00000 0.00001 168 3S -0.00234 -0.00012 0.00025 -0.00011 -0.00011 169 3PX -0.00062 -0.00010 0.00007 0.00007 0.00000 170 3PY 0.00042 -0.00044 0.00055 -0.00003 -0.00022 171 3PZ 0.00085 0.00008 -0.00005 -0.00003 0.00002 172 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00003 0.00001 -0.00001 0.00006 0.00000 179 2S 0.00092 0.00009 -0.00018 0.00073 -0.00005 180 19 H 1S -0.00111 0.00002 -0.00001 0.00004 0.00000 181 2S -0.00275 0.00043 -0.00022 0.00034 -0.00004 182 20 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 183 2S 0.00057 0.00000 -0.00001 0.00000 0.00001 184 21 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 185 2S 0.00030 0.00000 -0.00001 0.00000 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00001 -0.00072 0.00001 -0.00003 202 2S -0.00001 -0.00063 0.00793 -0.00062 0.00036 203 2PX -0.00013 0.00021 0.00061 0.00000 0.00613 204 2PY 0.00029 -0.00137 0.00193 -0.00143 0.00071 205 2PZ 0.02061 0.00000 0.00025 0.00009 0.00012 206 3S -0.00026 -0.00225 0.01144 -0.00225 0.00018 207 3PX -0.00020 -0.00017 0.00054 0.00006 0.00682 208 3PY 0.00042 -0.00386 0.00112 -0.00429 0.00018 209 3PZ 0.04604 0.00002 0.00022 -0.00007 0.00006 210 4XX -0.00002 0.00005 -0.00010 0.00002 0.00002 211 4YY 0.00011 -0.00023 -0.00008 -0.00025 0.00008 212 4ZZ -0.00002 0.00002 -0.00011 0.00006 0.00000 213 4XY -0.00001 0.00003 0.00006 -0.00001 0.00054 214 4XZ 0.00003 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00141 -0.00001 0.00002 0.00001 0.00000 116 117 118 119 120 116 4XZ 0.00061 117 4YZ 0.00000 0.00360 118 14 C 1S -0.00005 -0.00008 2.05475 119 2S 0.00074 0.00129 -0.01447 0.33272 120 2PX -0.00007 0.00161 0.00000 0.00000 0.36088 121 2PY 0.00076 0.00021 0.00000 0.00000 0.00000 122 2PZ 0.00015 0.00059 0.00000 0.00000 0.00000 123 3S 0.00032 0.00148 -0.03653 0.25911 0.00000 124 3PX 0.00004 0.00047 0.00000 0.00000 0.10875 125 3PY 0.00009 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 127 4XX 0.00000 -0.00005 -0.00118 -0.00616 0.00000 128 4YY -0.00003 -0.00001 -0.00144 -0.00041 0.00000 129 4ZZ 0.00001 -0.00001 -0.00126 -0.00468 0.00000 130 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 131 4XZ 0.00003 0.00001 0.00000 0.00000 0.00000 132 4YZ -0.00002 0.00003 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00076 0.00000 134 2S 0.00000 0.00000 -0.00076 0.01418 0.00000 135 2PX 0.00000 0.00002 0.00000 0.00000 0.02109 136 2PY 0.00000 0.00001 -0.00366 0.04863 0.00000 137 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 138 3S -0.00002 -0.00013 0.00141 -0.00485 0.00000 139 3PX 0.00001 0.00009 0.00000 0.00000 0.02882 140 3PY -0.00001 -0.00023 -0.00039 0.01071 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 -0.00055 0.00000 143 4YY 0.00000 0.00000 -0.00031 0.00347 0.00000 144 4ZZ 0.00000 0.00000 0.00000 -0.00059 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00253 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00006 -0.00002 150 2PX 0.00000 0.00000 0.00000 -0.00004 -0.00001 151 2PY 0.00000 0.00000 0.00000 -0.00016 -0.00006 152 2PZ 0.00000 0.00000 0.00000 -0.00006 0.00001 153 3S 0.00000 0.00000 0.00001 -0.00076 -0.00082 154 3PX 0.00000 0.00000 0.00002 -0.00036 0.00020 155 3PY 0.00000 0.00000 -0.00015 0.00164 -0.00035 156 3PZ 0.00000 -0.00003 0.00000 -0.00018 -0.00029 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 -0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00002 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 165 2PX 0.00000 0.00001 0.00000 -0.00001 0.00001 166 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 168 3S -0.00002 -0.00015 0.00000 0.00019 -0.00004 169 3PX 0.00000 0.00009 0.00002 -0.00041 0.00024 170 3PY -0.00003 -0.00012 0.00000 0.00002 0.00019 171 3PZ 0.00000 0.00003 0.00001 -0.00002 -0.00003 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 179 2S 0.00015 -0.00004 0.00000 0.00012 0.00021 180 19 H 1S 0.00004 0.00000 -0.00203 0.03238 0.03262 181 2S 0.00013 -0.00005 -0.00099 0.01091 0.02046 182 20 H 1S 0.00000 0.00000 0.00000 -0.00021 -0.00005 183 2S 0.00000 0.00000 0.00021 -0.00302 -0.00085 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 -0.00001 0.00001 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 0.00001 0.00000 192 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.00002 0.00001 194 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00001 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 202 2S 0.00002 0.00015 0.00000 -0.00002 0.00000 203 2PX 0.00003 0.00012 0.00000 -0.00002 0.00000 204 2PY 0.00004 0.00025 0.00000 -0.00004 -0.00003 205 2PZ 0.00010 0.00684 0.00000 -0.00005 -0.00004 206 3S 0.00001 0.00007 0.00000 -0.00005 0.00017 207 3PX 0.00003 0.00006 0.00003 -0.00084 0.00011 208 3PY 0.00002 0.00006 0.00004 -0.00084 -0.00020 209 3PZ 0.00010 0.00737 0.00006 -0.00155 -0.00080 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00003 0.00000 -0.00001 0.00000 212 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 213 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 215 4YZ 0.00002 0.00060 0.00000 0.00000 0.00001 121 122 123 124 125 121 2PY 0.44126 122 2PZ 0.00000 0.37297 123 3S 0.00000 0.00000 0.46602 124 3PX 0.00000 0.00000 0.00000 0.11494 125 3PY 0.06838 0.00000 0.00000 0.00000 0.06208 126 3PZ 0.00000 0.10537 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00366 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.00280 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00220 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00366 0.00000 0.00141 0.00000 -0.00039 134 2S 0.04863 0.00000 -0.00485 0.00000 0.01071 135 2PX 0.00000 0.00000 0.00000 0.02882 0.00000 136 2PY 0.10806 0.00000 0.03376 0.00000 0.01596 137 2PZ 0.00000 0.01700 0.00000 0.00000 0.00000 138 3S 0.03375 0.00000 -0.09993 0.00000 -0.02370 139 3PX 0.00000 0.00000 0.00000 0.04502 0.00000 140 3PY 0.01596 0.00000 -0.02370 0.00000 0.00037 141 3PZ 0.00000 0.02322 0.00000 0.00000 0.00000 142 4XX -0.00136 0.00000 -0.00095 0.00000 -0.00101 143 4YY 0.00224 0.00000 0.00386 0.00000 0.00099 144 4ZZ -0.00143 0.00000 -0.00125 0.00000 -0.00120 145 4XY 0.00000 0.00000 0.00000 0.00121 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00257 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00007 -0.00003 0.00001 149 2S -0.00025 -0.00003 0.00016 0.00015 -0.00151 150 2PX -0.00009 0.00001 -0.00024 0.00011 -0.00011 151 2PY -0.00044 -0.00003 -0.00428 -0.00045 -0.00440 152 2PZ -0.00018 -0.00003 0.00002 -0.00001 0.00002 153 3S -0.00264 -0.00074 0.00048 -0.00098 -0.00446 154 3PX -0.00051 -0.00032 -0.00163 0.00056 -0.00003 155 3PY 0.00265 -0.00009 0.00462 -0.00022 0.00244 156 3PZ -0.00039 0.00006 0.00045 -0.00055 0.00164 157 4XX -0.00001 0.00001 -0.00008 -0.00008 -0.00006 158 4YY 0.00009 0.00001 0.00025 -0.00004 0.00042 159 4ZZ -0.00001 0.00000 -0.00019 0.00015 -0.00027 160 4XY 0.00001 0.00002 -0.00011 0.00005 -0.00014 161 4XZ 0.00000 0.00000 -0.00002 0.00001 -0.00001 162 4YZ 0.00001 -0.00001 -0.00013 0.00009 -0.00023 163 17 C 1S 0.00000 0.00000 0.00001 0.00002 0.00001 164 2S 0.00000 0.00000 0.00003 -0.00032 0.00008 165 2PX -0.00001 -0.00003 -0.00039 0.00027 0.00003 166 2PY 0.00000 -0.00001 -0.00008 -0.00004 -0.00008 167 2PZ -0.00001 0.00001 -0.00011 -0.00044 -0.00012 168 3S -0.00013 -0.00004 0.00483 -0.00107 0.00259 169 3PX -0.00019 -0.00056 -0.00212 0.00068 -0.00014 170 3PY -0.00009 -0.00015 0.00249 0.00060 0.00003 171 3PZ -0.00022 0.00022 -0.00064 -0.00044 -0.00054 172 4XX 0.00000 0.00000 -0.00002 -0.00002 -0.00002 173 4YY 0.00000 0.00000 0.00000 -0.00001 0.00001 174 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00000 175 4XY 0.00000 0.00000 -0.00003 -0.00001 0.00001 176 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 177 4YZ 0.00000 0.00000 -0.00003 -0.00002 0.00001 178 18 H 1S 0.00000 0.00000 0.00008 0.00009 0.00003 179 2S 0.00003 0.00020 0.00231 0.00172 0.00023 180 19 H 1S 0.02843 0.03883 0.04278 0.01619 0.00928 181 2S 0.01519 0.02408 0.00483 0.01602 0.00680 182 20 H 1S -0.00064 -0.00008 -0.00358 -0.00029 -0.00303 183 2S -0.00723 -0.00121 -0.00543 -0.00154 -0.00623 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 185 2S 0.00000 -0.00002 -0.00027 0.00006 -0.00002 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00003 188 2PX 0.00000 0.00000 0.00001 -0.00001 0.00005 189 2PY 0.00000 0.00000 0.00009 0.00002 0.00017 190 2PZ 0.00000 0.00000 0.00004 -0.00001 0.00015 191 3S 0.00003 0.00000 0.00006 -0.00002 0.00034 192 3PX 0.00001 -0.00001 0.00021 -0.00020 0.00050 193 3PY 0.00007 0.00000 0.00104 0.00021 0.00139 194 3PZ 0.00002 0.00000 0.00059 -0.00012 0.00144 195 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 196 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00001 0.00000 0.00002 201 23 O 1S 0.00000 0.00000 0.00001 -0.00002 0.00001 202 2S -0.00006 -0.00002 -0.00066 0.00018 0.00054 203 2PX -0.00006 -0.00003 -0.00154 0.00005 0.00038 204 2PY -0.00016 -0.00008 -0.00352 -0.00128 0.00166 205 2PZ -0.00015 -0.00002 -0.00400 -0.00075 0.00162 206 3S -0.00222 0.00014 0.00073 0.00173 -0.00224 207 3PX -0.00123 -0.00080 -0.00767 0.00022 0.00101 208 3PY -0.00276 -0.00100 -0.01263 -0.00293 0.00284 209 3PZ -0.00300 -0.00021 -0.01872 -0.00275 0.00413 210 4XX 0.00001 0.00000 0.00011 0.00000 -0.00010 211 4YY 0.00002 0.00000 -0.00053 -0.00020 0.00037 212 4ZZ 0.00001 0.00000 0.00001 0.00003 0.00004 213 4XY 0.00001 0.00001 -0.00005 -0.00002 0.00006 214 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 215 4YZ 0.00001 0.00001 -0.00026 -0.00002 0.00023 126 127 128 129 130 126 3PZ 0.10580 127 4XX 0.00000 0.00068 128 4YY 0.00000 -0.00004 0.00077 129 4ZZ 0.00000 0.00014 -0.00007 0.00072 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00111 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 -0.00031 0.00000 0.00000 134 2S 0.00000 -0.00055 0.00347 -0.00059 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00253 136 2PY 0.00000 -0.00136 0.00224 -0.00143 0.00000 137 2PZ 0.02322 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00095 0.00386 -0.00125 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00121 140 3PY 0.00000 -0.00101 0.00099 -0.00120 0.00000 141 3PZ 0.03617 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00003 -0.00005 0.00001 0.00000 143 4YY 0.00000 -0.00005 0.00003 -0.00004 0.00000 144 4ZZ 0.00000 0.00001 -0.00004 0.00003 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 -0.00012 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00117 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00003 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00001 0.00000 0.00001 150 2PX -0.00010 0.00000 0.00001 0.00000 0.00000 151 2PY -0.00025 0.00000 0.00002 0.00000 0.00002 152 2PZ 0.00001 0.00000 0.00001 0.00000 0.00002 153 3S -0.00025 0.00003 0.00002 0.00005 0.00008 154 3PX -0.00086 0.00001 0.00000 0.00002 0.00000 155 3PY 0.00034 -0.00008 0.00007 -0.00006 0.00007 156 3PZ 0.00025 0.00002 0.00001 0.00000 0.00004 157 4XX 0.00013 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00012 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00013 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 164 2S -0.00024 0.00000 0.00000 0.00000 0.00000 165 2PX -0.00073 0.00000 0.00000 0.00000 0.00000 166 2PY -0.00024 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00033 0.00000 0.00000 0.00000 0.00000 168 3S -0.00162 0.00000 0.00000 -0.00001 -0.00004 169 3PX -0.00207 -0.00001 -0.00002 0.00002 -0.00002 170 3PY -0.00084 -0.00001 0.00001 0.00000 0.00001 171 3PZ 0.00037 0.00003 0.00000 -0.00001 -0.00003 172 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 175 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 179 2S 0.00147 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.01970 0.00021 -0.00060 0.00043 0.00166 181 2S 0.01825 0.00097 -0.00097 0.00106 0.00035 182 20 H 1S -0.00051 0.00000 0.00002 0.00000 0.00005 183 2S -0.00201 0.00012 -0.00012 0.00014 0.00019 184 21 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 185 2S -0.00026 0.00000 0.00000 0.00000 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S -0.00004 0.00000 0.00000 0.00000 0.00000 192 3PX -0.00017 0.00000 0.00000 0.00000 0.00000 193 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 194 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S -0.00004 0.00000 0.00000 0.00000 0.00000 202 2S 0.00021 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00038 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00272 0.00000 0.00002 0.00000 0.00000 205 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 206 3S 0.00285 0.00000 0.00006 -0.00001 0.00000 207 3PX -0.00176 -0.00001 0.00005 0.00004 0.00004 208 3PY -0.00710 -0.00008 0.00037 -0.00001 0.00002 209 3PZ 0.00017 0.00003 0.00025 -0.00005 0.00008 210 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00036 0.00000 0.00000 0.00000 0.00000 212 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 4XZ 0.00067 132 4YZ 0.00000 0.00126 133 15 C 1S 0.00000 0.00000 2.05475 134 2S 0.00000 0.00000 -0.01447 0.33272 135 2PX 0.00000 0.00000 0.00000 0.00000 0.36087 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00257 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 -0.03653 0.25911 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.10874 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00117 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00118 -0.00616 0.00000 143 4YY 0.00000 0.00000 -0.00144 -0.00041 0.00000 144 4ZZ 0.00000 0.00000 -0.00126 -0.00468 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 -0.00018 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 -0.00028 -0.00050 149 2S 0.00000 0.00001 -0.00026 0.00716 0.00951 150 2PX 0.00000 0.00002 -0.00049 0.00886 0.00117 151 2PY 0.00000 0.00003 -0.00043 0.00704 0.00852 152 2PZ 0.00000 0.00001 -0.00073 0.01360 0.01984 153 3S 0.00001 0.00011 0.00008 0.00628 0.00958 154 3PX 0.00000 0.00003 0.00026 -0.00061 0.00159 155 3PY 0.00000 0.00010 -0.00016 0.00445 0.00364 156 3PZ 0.00000 0.00000 0.00020 0.00121 0.00433 157 4XX 0.00000 0.00000 0.00000 -0.00002 -0.00035 158 4YY 0.00000 0.00000 0.00001 -0.00023 -0.00010 159 4ZZ 0.00000 0.00000 -0.00003 0.00060 0.00073 160 4XY 0.00000 0.00000 -0.00006 0.00101 0.00013 161 4XZ 0.00000 0.00000 -0.00005 0.00074 -0.00007 162 4YZ 0.00000 0.00000 -0.00008 0.00129 0.00161 163 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 -0.00007 -0.00014 165 2PX 0.00000 0.00000 0.00000 -0.00016 -0.00015 166 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 2PZ 0.00000 0.00000 0.00000 -0.00014 -0.00029 168 3S 0.00000 -0.00003 0.00013 -0.00287 -0.00384 169 3PX 0.00000 -0.00003 0.00012 -0.00238 -0.00151 170 3PY -0.00001 0.00001 0.00000 0.00001 0.00004 171 3PZ 0.00001 -0.00002 0.00009 -0.00163 -0.00210 172 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00003 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 -0.00001 0.00001 180 19 H 1S 0.00174 0.00206 0.00000 -0.00021 -0.00005 181 2S 0.00026 0.00044 0.00021 -0.00302 -0.00085 182 20 H 1S 0.00000 0.00005 -0.00203 0.03238 0.03261 183 2S 0.00000 0.00022 -0.00099 0.01091 0.02046 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00012 0.00021 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 -0.00002 0.00000 188 2PX 0.00000 0.00000 0.00000 -0.00002 0.00000 189 2PY 0.00000 0.00000 0.00000 -0.00004 -0.00003 190 2PZ 0.00000 0.00000 0.00000 -0.00005 -0.00004 191 3S 0.00000 0.00000 0.00000 -0.00005 0.00017 192 3PX 0.00000 0.00000 0.00003 -0.00084 0.00011 193 3PY 0.00000 0.00000 0.00004 -0.00084 -0.00020 194 3PZ 0.00000 0.00000 0.00006 -0.00155 -0.00080 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 -0.00001 0.00000 0.00001 0.00000 207 3PX 0.00000 0.00008 0.00000 0.00000 0.00000 208 3PY -0.00005 0.00019 0.00000 0.00002 0.00001 209 3PZ 0.00000 -0.00003 0.00000 0.00001 -0.00001 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 2PY 0.44126 137 2PZ 0.00000 0.37297 138 3S 0.00000 0.00000 0.46603 139 3PX 0.00000 0.00000 0.00000 0.11493 140 3PY 0.06838 0.00000 0.00000 0.00000 0.06208 141 3PZ 0.00000 0.10538 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00366 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00280 0.00000 0.00000 144 4ZZ 0.00000 0.00000 -0.00220 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S -0.00046 -0.00073 0.00113 0.00035 -0.00108 149 2S 0.00910 0.01366 -0.00318 0.00128 0.00733 150 2PX 0.00882 0.01915 0.01366 -0.00115 0.00670 151 2PY 0.00174 0.01407 0.01452 0.00655 0.00178 152 2PZ 0.01422 0.00748 0.01730 0.01085 0.01040 153 3S 0.00841 0.01501 -0.00862 0.00231 0.00501 154 3PX 0.00158 0.00299 -0.00054 0.00276 0.00051 155 3PY 0.00200 0.00641 -0.00371 0.00018 0.00064 156 3PZ 0.00187 0.00009 -0.00731 0.00236 0.00281 157 4XX 0.00019 0.00008 0.00035 -0.00060 -0.00020 158 4YY -0.00042 -0.00019 -0.00105 -0.00025 -0.00026 159 4ZZ 0.00095 -0.00054 0.00290 0.00159 0.00007 160 4XY 0.00020 0.00179 0.00108 -0.00003 -0.00001 161 4XZ 0.00076 0.00015 0.00032 0.00004 0.00009 162 4YZ 0.00021 0.00059 0.00148 0.00047 0.00000 163 17 C 1S 0.00000 0.00000 0.00010 0.00007 0.00000 164 2S 0.00000 -0.00015 -0.00259 -0.00159 -0.00002 165 2PX 0.00000 -0.00036 -0.00360 -0.00076 -0.00006 166 2PY -0.00002 0.00000 0.00003 0.00001 -0.00039 167 2PZ 0.00000 -0.00020 -0.00348 -0.00291 -0.00005 168 3S -0.00003 -0.00384 -0.02427 -0.00849 -0.00001 169 3PX -0.00001 -0.00360 -0.00915 -0.00104 -0.00011 170 3PY -0.00041 0.00004 0.00001 0.00008 -0.00287 171 3PZ -0.00001 -0.00144 -0.00688 -0.00359 -0.00008 172 4XX 0.00000 0.00002 0.00005 -0.00006 0.00000 173 4YY 0.00000 0.00000 -0.00001 -0.00008 0.00000 174 4ZZ 0.00000 0.00001 0.00017 0.00032 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 -0.00003 176 4XZ 0.00000 0.00002 0.00001 0.00006 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 179 2S 0.00000 -0.00002 -0.00027 0.00006 -0.00002 180 19 H 1S -0.00064 -0.00008 -0.00358 -0.00029 -0.00303 181 2S -0.00723 -0.00121 -0.00543 -0.00155 -0.00623 182 20 H 1S 0.02844 0.03883 0.04278 0.01619 0.00928 183 2S 0.01519 0.02408 0.00483 0.01602 0.00680 184 21 H 1S 0.00000 0.00000 0.00008 0.00009 0.00003 185 2S 0.00003 0.00020 0.00231 0.00172 0.00023 186 22 O 1S 0.00000 0.00000 0.00001 -0.00002 0.00001 187 2S -0.00006 -0.00002 -0.00066 0.00018 0.00054 188 2PX -0.00006 -0.00003 -0.00155 0.00005 0.00038 189 2PY -0.00016 -0.00008 -0.00352 -0.00128 0.00166 190 2PZ -0.00015 -0.00002 -0.00400 -0.00075 0.00162 191 3S -0.00222 0.00014 0.00073 0.00173 -0.00224 192 3PX -0.00123 -0.00080 -0.00767 0.00023 0.00101 193 3PY -0.00276 -0.00100 -0.01263 -0.00293 0.00284 194 3PZ -0.00300 -0.00021 -0.01873 -0.00275 0.00413 195 4XX 0.00001 0.00000 0.00011 0.00000 -0.00010 196 4YY 0.00002 0.00000 -0.00053 -0.00020 0.00037 197 4ZZ 0.00001 0.00000 0.00001 0.00003 0.00004 198 4XY 0.00001 0.00001 -0.00005 -0.00002 0.00006 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00001 0.00001 -0.00026 -0.00002 0.00023 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00001 -0.00001 0.00005 204 2PY 0.00000 0.00000 0.00009 0.00002 0.00017 205 2PZ 0.00000 0.00000 0.00004 -0.00001 0.00015 206 3S 0.00003 0.00000 0.00006 -0.00002 0.00034 207 3PX 0.00001 -0.00001 0.00021 -0.00020 0.00050 208 3PY 0.00007 0.00000 0.00104 0.00021 0.00139 209 3PZ 0.00002 0.00000 0.00059 -0.00012 0.00144 210 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 211 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00001 0.00000 0.00002 141 142 143 144 145 141 3PZ 0.10581 142 4XX 0.00000 0.00068 143 4YY 0.00000 -0.00004 0.00077 144 4ZZ 0.00000 0.00014 -0.00007 0.00072 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00111 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00024 -0.00001 0.00000 -0.00003 -0.00004 149 2S 0.00295 0.00014 -0.00021 0.00057 0.00062 150 2PX 0.01048 -0.00024 -0.00008 0.00039 0.00011 151 2PY 0.01010 0.00012 -0.00032 0.00045 0.00004 152 2PZ -0.00074 0.00012 -0.00011 -0.00040 0.00094 153 3S 0.00612 0.00030 -0.00055 0.00077 0.00035 154 3PX 0.00292 -0.00029 -0.00015 0.00059 0.00002 155 3PY 0.00181 -0.00027 0.00012 0.00003 -0.00007 156 3PZ 0.00150 0.00048 0.00021 -0.00044 0.00016 157 4XX 0.00099 0.00000 -0.00003 0.00001 -0.00001 158 4YY -0.00029 -0.00002 0.00002 -0.00005 0.00000 159 4ZZ -0.00044 0.00001 -0.00006 0.00000 -0.00009 160 4XY 0.00049 -0.00001 -0.00001 -0.00004 0.00002 161 4XZ 0.00000 0.00000 -0.00003 0.00001 0.00001 162 4YZ -0.00001 -0.00005 -0.00001 -0.00001 -0.00001 163 17 C 1S 0.00006 0.00000 0.00000 0.00000 0.00000 164 2S -0.00146 0.00000 0.00000 0.00000 0.00000 165 2PX -0.00285 0.00000 0.00000 0.00003 0.00000 166 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 167 2PZ -0.00121 0.00003 0.00000 0.00000 0.00000 168 3S -0.00590 0.00013 0.00000 0.00007 0.00000 169 3PX -0.00550 0.00001 -0.00010 0.00029 0.00000 170 3PY 0.00007 0.00000 0.00000 0.00000 -0.00001 171 3PZ -0.00112 0.00025 -0.00007 0.00001 0.00000 172 4XX 0.00019 0.00000 0.00000 0.00000 0.00000 173 4YY -0.00008 0.00000 0.00000 0.00000 0.00000 174 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 179 2S -0.00026 0.00000 0.00000 0.00000 0.00000 180 19 H 1S -0.00051 0.00000 0.00002 0.00000 0.00005 181 2S -0.00201 0.00012 -0.00012 0.00014 0.00019 182 20 H 1S 0.01970 0.00021 -0.00060 0.00043 0.00166 183 2S 0.01825 0.00097 -0.00097 0.00106 0.00035 184 21 H 1S 0.00010 0.00000 0.00000 0.00000 0.00000 185 2S 0.00147 -0.00001 0.00000 0.00000 0.00000 186 22 O 1S -0.00004 0.00000 0.00000 0.00000 0.00000 187 2S 0.00021 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00038 0.00000 0.00000 0.00000 0.00000 189 2PY -0.00272 0.00000 0.00002 0.00000 0.00000 190 2PZ -0.00008 0.00000 0.00001 0.00000 0.00000 191 3S 0.00285 0.00000 0.00006 -0.00001 0.00000 192 3PX -0.00176 -0.00001 0.00005 0.00004 0.00004 193 3PY -0.00710 -0.00008 0.00037 -0.00001 0.00002 194 3PZ 0.00017 0.00003 0.00025 -0.00005 0.00008 195 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00036 0.00000 0.00000 0.00000 0.00000 197 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00003 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S -0.00001 0.00000 0.00000 0.00000 0.00000 203 2PX -0.00002 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00004 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00017 0.00000 0.00000 0.00000 0.00000 208 3PY -0.00010 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 4XZ 0.00067 147 4YZ 0.00000 0.00126 148 16 C 1S -0.00005 -0.00006 2.05392 149 2S 0.00076 0.00093 -0.01557 0.35892 150 2PX 0.00000 0.00095 0.00000 0.00000 0.35088 151 2PY 0.00088 0.00004 0.00000 0.00000 0.00000 152 2PZ 0.00023 0.00048 0.00000 0.00000 0.00000 153 3S 0.00024 0.00044 -0.02739 0.20449 0.00000 154 3PX 0.00000 0.00011 0.00000 0.00000 0.05640 155 3PY 0.00003 -0.00010 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 -0.00009 -0.00093 -0.00981 0.00000 158 4YY -0.00007 0.00000 -0.00120 -0.00270 0.00000 159 4ZZ 0.00002 -0.00001 -0.00093 -0.00970 0.00000 160 4XY 0.00001 -0.00002 0.00000 0.00000 0.00000 161 4XZ 0.00003 -0.00002 0.00000 0.00000 0.00000 162 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 163 17 C 1S 0.00000 0.00000 0.00000 -0.00030 -0.00078 164 2S 0.00001 0.00000 -0.00030 0.00788 0.01385 165 2PX 0.00002 0.00000 -0.00077 0.01433 0.00633 166 2PY 0.00000 0.00000 -0.00045 0.00888 0.01400 167 2PZ 0.00002 0.00000 -0.00057 0.01088 0.02134 168 3S 0.00004 0.00000 0.00111 -0.00104 0.02073 169 3PX 0.00006 0.00000 -0.00015 0.00614 -0.00081 170 3PY 0.00000 -0.00003 -0.00113 0.00855 0.00926 171 3PZ 0.00007 0.00000 0.00030 0.00211 0.01085 172 4XX 0.00000 0.00000 -0.00003 0.00057 -0.00034 173 4YY 0.00000 0.00000 0.00000 -0.00026 -0.00022 174 4ZZ 0.00000 0.00000 -0.00001 0.00003 -0.00004 175 4XY 0.00000 0.00000 -0.00006 0.00090 0.00042 176 4XZ 0.00000 0.00000 -0.00006 0.00091 0.00032 177 4YZ 0.00000 0.00000 -0.00004 0.00061 0.00097 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00009 0.00010 180 19 H 1S 0.00000 0.00005 0.00000 0.00000 0.00000 181 2S 0.00000 0.00022 0.00000 0.00009 0.00008 182 20 H 1S 0.00174 0.00206 0.00000 -0.00015 -0.00028 183 2S 0.00026 0.00044 0.00025 -0.00361 -0.00429 184 21 H 1S 0.00000 0.00000 0.00000 -0.00016 -0.00033 185 2S 0.00000 0.00000 0.00025 -0.00378 -0.00439 186 22 O 1S 0.00000 0.00000 0.00000 -0.00027 -0.00003 187 2S 0.00000 0.00000 -0.00015 0.00376 0.00050 188 2PX 0.00000 0.00000 -0.00003 0.00074 0.01506 189 2PY 0.00000 0.00001 -0.00177 0.04211 0.00403 190 2PZ 0.00000 0.00000 -0.00002 0.00038 -0.00048 191 3S 0.00000 -0.00001 -0.00100 -0.01109 -0.00016 192 3PX 0.00000 0.00008 -0.00015 0.00108 0.02910 193 3PY -0.00005 0.00019 -0.00836 0.06338 0.00338 194 3PZ 0.00000 -0.00003 -0.00007 0.00057 -0.00054 195 4XX 0.00000 0.00000 0.00002 -0.00068 0.00005 196 4YY 0.00000 0.00001 -0.00079 0.00759 0.00075 197 4ZZ 0.00000 0.00000 0.00001 -0.00070 -0.00002 198 4XY 0.00000 0.00000 -0.00004 0.00024 0.00379 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 200 4YZ 0.00000 0.00000 -0.00002 0.00010 -0.00003 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 2PY 0.42509 152 2PZ 0.00000 0.35654 153 3S 0.00000 0.00000 0.22042 154 3PX 0.00000 0.00000 0.00000 0.05209 155 3PY -0.00514 0.00000 0.00000 0.00000 0.03647 156 3PZ 0.00000 0.05810 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00462 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00426 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00436 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S -0.00041 -0.00053 0.00054 0.00051 0.00051 164 2S 0.00642 0.00943 0.00300 0.00086 0.00201 165 2PX 0.01358 0.02139 0.01336 0.00026 0.00515 166 2PY 0.00101 0.00845 0.00746 0.00173 0.00200 167 2PZ 0.00845 0.00194 0.00960 0.00398 0.00287 168 3S 0.01428 0.01510 -0.02453 -0.00727 -0.00764 169 3PX 0.00896 0.01425 0.00658 0.00261 0.00197 170 3PY 0.00171 0.00591 0.00600 0.00241 0.00028 171 3PZ 0.00723 -0.00214 0.00097 0.00091 -0.00075 172 4XX 0.00042 0.00051 0.00109 -0.00041 0.00022 173 4YY -0.00028 -0.00013 -0.00059 0.00021 0.00014 174 4ZZ 0.00001 -0.00031 0.00013 0.00045 -0.00039 175 4XY 0.00001 0.00095 0.00029 0.00000 -0.00008 176 4XZ 0.00095 0.00007 0.00028 0.00000 0.00009 177 4YZ 0.00001 0.00011 0.00033 0.00016 -0.00007 178 18 H 1S 0.00000 0.00000 0.00008 0.00004 0.00000 179 2S 0.00012 0.00008 0.00099 0.00045 -0.00012 180 19 H 1S 0.00000 0.00000 0.00009 0.00004 0.00003 181 2S 0.00015 0.00013 0.00131 0.00038 0.00031 182 20 H 1S -0.00002 -0.00036 -0.00263 0.00005 -0.00052 183 2S 0.00010 -0.00534 -0.01118 0.00051 -0.00117 184 21 H 1S -0.00002 -0.00031 -0.00246 -0.00089 -0.00043 185 2S 0.00010 -0.00468 -0.00885 -0.00224 -0.00086 186 22 O 1S -0.00197 -0.00002 0.00152 0.00000 0.00011 187 2S 0.02845 0.00027 -0.02248 -0.00017 -0.01278 188 2PX 0.00409 -0.00047 0.00081 0.02075 -0.00030 189 2PY 0.09888 0.00216 0.02242 0.00035 -0.00515 190 2PZ 0.00208 0.01544 0.00017 -0.00013 -0.00005 191 3S 0.00931 -0.00011 -0.07472 -0.00055 -0.01898 192 3PX 0.00355 -0.00053 0.00173 0.04685 -0.00053 193 3PY 0.05264 0.00190 0.04168 0.00055 -0.00168 194 3PZ 0.00188 0.02852 0.00026 -0.00020 -0.00008 195 4XX -0.00080 -0.00002 -0.00043 -0.00005 0.00118 196 4YY 0.00902 0.00040 0.00583 0.00017 -0.00178 197 4ZZ -0.00090 0.00002 -0.00051 0.00000 0.00118 198 4XY 0.00061 -0.00003 0.00007 0.00140 -0.00001 199 4XZ 0.00002 0.00008 0.00000 0.00002 0.00000 200 4YZ 0.00030 0.00403 0.00003 -0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00001 0.00000 0.00006 207 3PX 0.00000 0.00000 0.00000 0.00002 0.00000 208 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00016 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 3PZ 0.05181 157 4XX 0.00000 0.00204 158 4YY 0.00000 -0.00034 0.00224 159 4ZZ 0.00000 0.00030 -0.00029 0.00197 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00342 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 C 1S 0.00034 -0.00003 0.00001 -0.00001 -0.00008 164 2S -0.00069 0.00051 -0.00027 0.00004 0.00110 165 2PX 0.00401 -0.00067 -0.00008 0.00015 0.00045 166 2PY 0.00096 0.00091 -0.00038 0.00028 0.00012 167 2PZ 0.00131 0.00089 -0.00030 -0.00043 0.00159 168 3S -0.00177 0.00352 -0.00166 0.00038 0.00143 169 3PX 0.00410 -0.00091 0.00012 0.00090 -0.00001 170 3PY 0.00012 0.00019 -0.00035 -0.00023 0.00000 171 3PZ 0.00136 0.00192 -0.00078 -0.00054 0.00052 172 4XX 0.00062 0.00000 -0.00003 -0.00003 0.00000 173 4YY -0.00012 -0.00007 0.00002 -0.00004 -0.00001 174 4ZZ -0.00032 0.00001 -0.00003 0.00001 -0.00007 175 4XY 0.00010 -0.00001 0.00000 -0.00007 0.00002 176 4XZ 0.00001 -0.00001 -0.00006 0.00001 0.00000 177 4YZ 0.00002 -0.00006 0.00000 -0.00002 0.00001 178 18 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 179 2S 0.00030 0.00000 -0.00001 0.00000 0.00001 180 19 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 181 2S 0.00057 0.00000 -0.00001 0.00000 0.00001 182 20 H 1S -0.00111 0.00002 -0.00001 0.00004 0.00000 183 2S -0.00275 0.00043 -0.00022 0.00034 -0.00004 184 21 H 1S 0.00003 0.00001 -0.00001 0.00006 0.00000 185 2S 0.00093 0.00009 -0.00018 0.00073 -0.00005 186 22 O 1S 0.00000 0.00001 -0.00072 0.00001 -0.00003 187 2S -0.00001 -0.00063 0.00793 -0.00062 0.00036 188 2PX -0.00013 0.00021 0.00061 0.00000 0.00613 189 2PY 0.00029 -0.00137 0.00193 -0.00143 0.00071 190 2PZ 0.02061 0.00000 0.00025 0.00009 0.00012 191 3S -0.00026 -0.00225 0.01144 -0.00225 0.00018 192 3PX -0.00020 -0.00017 0.00054 0.00006 0.00682 193 3PY 0.00042 -0.00386 0.00112 -0.00429 0.00018 194 3PZ 0.04603 0.00002 0.00022 -0.00007 0.00006 195 4XX -0.00002 0.00005 -0.00010 0.00002 0.00002 196 4YY 0.00011 -0.00023 -0.00008 -0.00025 0.00008 197 4ZZ -0.00002 0.00002 -0.00011 0.00006 0.00000 198 4XY -0.00001 0.00003 0.00006 -0.00001 0.00054 199 4XZ 0.00003 0.00000 0.00001 0.00000 0.00000 200 4YZ 0.00141 -0.00001 0.00002 0.00001 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00003 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 4XZ 0.00061 162 4YZ 0.00000 0.00360 163 17 C 1S -0.00006 -0.00007 2.05568 164 2S 0.00079 0.00101 -0.01304 0.31929 165 2PX 0.00018 0.00190 0.00000 0.00000 0.35918 166 2PY 0.00081 0.00013 0.00000 0.00000 0.00000 167 2PZ -0.00009 0.00015 0.00000 0.00000 0.00000 168 3S 0.00044 0.00113 -0.04300 0.27659 0.00000 169 3PX 0.00000 0.00061 0.00000 0.00000 0.12383 170 3PY 0.00009 0.00001 0.00000 0.00000 0.00000 171 3PZ 0.00003 -0.00001 0.00000 0.00000 0.00000 172 4XX -0.00001 -0.00006 -0.00101 -0.00763 0.00000 173 4YY -0.00004 -0.00001 -0.00130 -0.00138 0.00000 174 4ZZ 0.00001 -0.00001 -0.00124 -0.00297 0.00000 175 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4XZ 0.00003 0.00002 0.00000 0.00000 0.00000 177 4YZ -0.00001 0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 -0.00018 -0.00003 179 2S 0.00000 0.00000 0.00021 -0.00300 -0.00045 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 182 20 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 183 2S 0.00013 -0.00005 0.00000 0.00011 0.00022 184 21 H 1S 0.00005 0.00000 -0.00201 0.03202 0.01168 185 2S 0.00015 -0.00004 -0.00093 0.01131 0.00750 186 22 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 187 2S 0.00002 0.00015 0.00000 -0.00001 -0.00001 188 2PX 0.00003 0.00012 0.00000 -0.00004 -0.00001 189 2PY 0.00004 0.00025 0.00000 -0.00003 -0.00007 190 2PZ 0.00010 0.00684 0.00000 -0.00003 -0.00005 191 3S 0.00001 0.00007 0.00001 -0.00006 0.00009 192 3PX 0.00003 0.00006 0.00006 -0.00130 -0.00011 193 3PY 0.00002 0.00006 0.00004 -0.00059 -0.00089 194 3PZ 0.00010 0.00737 0.00004 -0.00095 -0.00115 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00003 0.00000 -0.00001 0.00000 197 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 198 4XY 0.00001 0.00000 0.00000 0.00000 0.00001 199 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 200 4YZ 0.00002 0.00060 0.00000 0.00000 0.00001 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 2PY 0.42057 167 2PZ 0.00000 0.38844 168 3S 0.00000 0.00000 0.55219 169 3PX 0.00000 0.00000 0.00000 0.14604 170 3PY 0.07431 0.00000 0.00000 0.00000 0.07150 171 3PZ 0.00000 0.11111 0.00000 0.00000 0.00000 172 4XX 0.00000 0.00000 -0.00566 0.00000 0.00000 173 4YY 0.00000 0.00000 -0.00391 0.00000 0.00000 174 4ZZ 0.00000 0.00000 -0.00169 0.00000 0.00000 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00052 -0.00007 -0.00323 -0.00020 -0.00353 179 2S -0.00609 -0.00122 -0.00506 -0.00093 -0.00599 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 -0.00001 -0.00040 -0.00008 -0.00002 182 20 H 1S 0.00000 0.00000 0.00009 0.00012 0.00002 183 2S 0.00002 0.00019 0.00247 0.00208 0.00015 184 21 H 1S 0.02442 0.06301 0.04245 0.00670 0.00826 185 2S 0.01281 0.03868 -0.00198 0.00637 0.00644 186 22 O 1S 0.00000 0.00000 0.00001 -0.00003 0.00002 187 2S -0.00005 0.00000 -0.00068 0.00023 0.00026 188 2PX -0.00013 -0.00005 -0.00412 -0.00006 0.00124 189 2PY -0.00012 -0.00002 -0.00298 -0.00210 0.00122 190 2PZ -0.00006 0.00000 -0.00189 -0.00078 0.00049 191 3S -0.00186 0.00014 0.00043 0.00241 -0.00225 192 3PX -0.00277 -0.00104 -0.01954 0.00002 0.00291 193 3PY -0.00209 -0.00010 -0.00985 -0.00553 0.00208 194 3PZ -0.00127 0.00002 -0.00928 -0.00328 0.00139 195 4XX 0.00001 0.00000 0.00001 -0.00001 0.00005 196 4YY 0.00002 0.00000 -0.00043 -0.00027 0.00027 197 4ZZ 0.00001 0.00000 0.00012 0.00004 -0.00009 198 4XY 0.00001 0.00001 -0.00026 0.00000 0.00019 199 4XZ 0.00001 0.00000 0.00001 0.00000 0.00001 200 4YZ 0.00000 0.00000 -0.00008 0.00002 0.00007 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00001 0.00000 0.00003 203 2PX 0.00000 0.00000 0.00003 0.00000 0.00013 204 2PY 0.00000 0.00000 0.00006 0.00000 0.00013 205 2PZ 0.00000 0.00000 0.00002 -0.00001 0.00005 206 3S 0.00002 0.00000 0.00009 -0.00004 0.00025 207 3PX 0.00002 0.00000 0.00048 0.00000 0.00137 208 3PY 0.00005 0.00000 0.00075 -0.00008 0.00109 209 3PZ 0.00000 0.00000 0.00028 -0.00012 0.00047 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00001 0.00000 0.00001 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00001 0.00000 0.00002 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 171 172 173 174 175 171 3PZ 0.11601 172 4XX 0.00000 0.00093 173 4YY 0.00000 -0.00004 0.00091 174 4ZZ 0.00000 0.00007 -0.00008 0.00090 175 4XY 0.00000 0.00000 0.00000 0.00000 0.00093 176 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S -0.00074 0.00000 0.00002 0.00000 0.00001 179 2S -0.00293 0.00015 -0.00011 0.00009 0.00006 180 19 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 181 2S -0.00021 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00009 0.00000 0.00000 0.00000 0.00000 183 2S 0.00158 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.03507 -0.00082 -0.00082 0.00259 0.00051 185 2S 0.03462 -0.00081 -0.00120 0.00297 0.00012 186 22 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 187 2S 0.00011 0.00000 0.00000 0.00000 0.00000 188 2PX -0.00127 0.00000 0.00001 0.00000 0.00000 189 2PY -0.00132 0.00000 0.00002 0.00000 0.00001 190 2PZ -0.00012 0.00000 0.00000 0.00000 0.00000 191 3S 0.00156 0.00000 0.00008 -0.00001 -0.00001 192 3PX -0.00449 -0.00005 0.00029 0.00004 -0.00002 193 3PY -0.00293 0.00002 0.00032 -0.00008 0.00016 194 3PZ -0.00074 0.00007 0.00006 -0.00001 0.00006 195 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 196 4YY -0.00019 0.00000 0.00000 0.00000 0.00001 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY -0.00006 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ -0.00003 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00002 0.00000 0.00000 0.00000 0.00000 207 3PX -0.00003 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00011 0.00000 0.00000 0.00000 0.00000 209 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 4XZ 0.00064 177 4YZ 0.00000 0.00124 178 18 H 1S 0.00000 0.00007 0.21432 179 2S 0.00000 0.00029 0.10262 0.13787 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.21482 181 2S 0.00000 0.00000 0.00000 -0.00015 0.10332 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 0.00000 0.00000 0.00002 -0.00091 184 21 H 1S 0.00090 0.00280 -0.00001 -0.00093 0.00000 185 2S 0.00013 0.00056 -0.00093 -0.00487 0.00000 186 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 192 3PX 0.00000 0.00005 0.00000 -0.00002 0.00000 193 3PY -0.00005 0.00005 0.00000 -0.00002 0.00000 194 3PZ 0.00001 0.00001 0.00000 -0.00001 0.00000 195 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 196 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 197 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 202 2S 0.00000 0.00000 0.00000 0.00013 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00034 0.00000 204 2PY 0.00000 0.00000 0.00000 -0.00057 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00047 0.00000 206 3S 0.00000 0.00000 -0.00013 0.00056 -0.00017 207 3PX 0.00000 0.00000 0.00000 0.00222 -0.00004 208 3PY 0.00000 0.00000 -0.00022 -0.00271 -0.00020 209 3PZ 0.00000 0.00000 -0.00025 0.00261 -0.00023 210 4XX 0.00000 0.00000 0.00000 0.00002 0.00000 211 4YY 0.00000 0.00000 0.00000 -0.00010 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00004 0.00000 213 4XY 0.00000 0.00000 0.00000 -0.00002 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 2S 0.14023 182 20 H 1S -0.00091 0.21482 183 2S -0.00512 0.10332 0.14023 184 21 H 1S 0.00000 0.00000 0.00000 0.21432 185 2S 0.00002 0.00000 -0.00015 0.10263 0.13787 186 22 O 1S 0.00000 0.00000 -0.00001 0.00000 -0.00001 187 2S 0.00000 0.00000 0.00016 0.00000 0.00013 188 2PX 0.00000 0.00000 0.00042 0.00000 0.00034 189 2PY 0.00000 0.00000 -0.00060 0.00000 -0.00057 190 2PZ 0.00000 0.00000 0.00035 0.00000 0.00047 191 3S -0.00001 -0.00017 0.00043 -0.00013 0.00056 192 3PX -0.00001 -0.00004 0.00240 0.00000 0.00222 193 3PY -0.00003 -0.00020 -0.00275 -0.00022 -0.00271 194 3PZ -0.00002 -0.00023 0.00227 -0.00025 0.00261 195 4XX 0.00000 0.00000 0.00004 0.00000 0.00002 196 4YY 0.00000 0.00000 -0.00011 0.00000 -0.00010 197 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00004 198 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 199 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 200 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 201 23 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 202 2S 0.00016 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00042 0.00000 0.00000 0.00000 0.00000 204 2PY -0.00060 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00034 0.00000 0.00000 0.00000 0.00000 206 3S 0.00043 0.00000 -0.00001 0.00000 -0.00001 207 3PX 0.00240 0.00000 -0.00001 0.00000 -0.00002 208 3PY -0.00275 0.00000 -0.00003 0.00000 -0.00002 209 3PZ 0.00226 0.00000 -0.00002 0.00000 -0.00001 210 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 211 4YY -0.00011 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 215 4YZ -0.00002 0.00000 0.00000 0.00000 0.00000 186 187 188 189 190 186 22 O 1S 2.07870 187 2S -0.04263 0.50228 188 2PX 0.00000 0.00000 0.68665 189 2PY 0.00000 0.00000 0.00000 0.60050 190 2PZ 0.00000 0.00000 0.00000 0.00000 0.70002 191 3S -0.04096 0.45743 0.00000 0.00000 0.00000 192 3PX 0.00000 0.00000 0.23520 0.00000 0.00000 193 3PY 0.00000 0.00000 0.00000 0.16423 0.00000 194 3PZ 0.00000 0.00000 0.00000 0.00000 0.24000 195 4XX -0.00042 -0.00520 0.00000 0.00000 0.00000 196 4YY -0.00035 -0.00609 0.00000 0.00000 0.00000 197 4ZZ -0.00041 -0.00532 0.00000 0.00000 0.00000 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 195 191 3S 0.76573 192 3PX 0.00000 0.32259 193 3PY 0.00000 0.00000 0.18078 194 3PZ 0.00000 0.00000 0.00000 0.32936 195 4XX -0.00710 0.00000 0.00000 0.00000 0.00051 196 4YY -0.01650 0.00000 0.00000 0.00000 -0.00006 197 4ZZ -0.00724 0.00000 0.00000 0.00000 0.00014 198 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 199 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 196 197 198 199 200 196 4YY 0.00322 197 4ZZ -0.00005 0.00049 198 4XY 0.00000 0.00000 0.00188 199 4XZ 0.00000 0.00000 0.00000 0.00009 200 4YZ 0.00000 0.00000 0.00000 0.00000 0.00187 201 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 202 2S 0.00000 0.00000 0.00000 0.00000 0.00000 203 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 204 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 210 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 211 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 212 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 202 203 204 205 201 23 O 1S 2.07870 202 2S -0.04263 0.50229 203 2PX 0.00000 0.00000 0.68666 204 2PY 0.00000 0.00000 0.00000 0.60051 205 2PZ 0.00000 0.00000 0.00000 0.00000 0.70000 206 3S -0.04096 0.45742 0.00000 0.00000 0.00000 207 3PX 0.00000 0.00000 0.23520 0.00000 0.00000 208 3PY 0.00000 0.00000 0.00000 0.16423 0.00000 209 3PZ 0.00000 0.00000 0.00000 0.00000 0.23999 210 4XX -0.00042 -0.00520 0.00000 0.00000 0.00000 211 4YY -0.00035 -0.00609 0.00000 0.00000 0.00000 212 4ZZ -0.00041 -0.00532 0.00000 0.00000 0.00000 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 206 207 208 209 210 206 3S 0.76573 207 3PX 0.00000 0.32259 208 3PY 0.00000 0.00000 0.18078 209 3PZ 0.00000 0.00000 0.00000 0.32934 210 4XX -0.00710 0.00000 0.00000 0.00000 0.00051 211 4YY -0.01650 0.00000 0.00000 0.00000 -0.00006 212 4ZZ -0.00724 0.00000 0.00000 0.00000 0.00014 213 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 214 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 212 213 214 215 211 4YY 0.00322 212 4ZZ -0.00005 0.00049 213 4XY 0.00000 0.00000 0.00188 214 4XZ 0.00000 0.00000 0.00000 0.00009 215 4YZ 0.00000 0.00000 0.00000 0.00000 0.00187 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.68735 3 2PX 0.70945 4 2PY 0.67624 5 2PZ 0.73158 6 3S 0.59376 7 3PX 0.30505 8 3PY 0.25593 9 3PZ 0.31513 10 4XX 0.00525 11 4YY -0.00779 12 4ZZ 0.01085 13 4XY 0.00792 14 4XZ 0.00477 15 4YZ 0.00799 16 2 H 1S 0.51761 17 2S 0.30193 18 3 H 1S 0.52975 19 2S 0.31099 20 4 C 1S 1.99271 21 2S 0.71002 22 2PX 0.54587 23 2PY 0.74829 24 2PZ 0.71125 25 3S 0.61532 26 3PX 0.33521 27 3PY 0.22951 28 3PZ 0.24782 29 4XX -0.01843 30 4YY 0.01452 31 4ZZ -0.00570 32 4XY 0.00493 33 4XZ 0.00606 34 4YZ 0.00900 35 5 H 1S 0.52721 36 2S 0.30807 37 6 C 1S 1.99201 38 2S 0.71236 39 2PX 0.58833 40 2PY 0.75282 41 2PZ 0.72768 42 3S 0.51855 43 3PX 0.39841 44 3PY 0.20194 45 3PZ 0.19121 46 4XX -0.02112 47 4YY 0.00269 48 4ZZ 0.00507 49 4XY 0.00593 50 4XZ 0.00490 51 4YZ 0.01262 52 7 H 1S 0.52867 53 2S 0.32009 54 8 C 1S 1.99271 55 2S 0.71001 56 2PX 0.54589 57 2PY 0.74827 58 2PZ 0.71124 59 3S 0.61535 60 3PX 0.33519 61 3PY 0.22954 62 3PZ 0.24783 63 4XX -0.01842 64 4YY 0.01452 65 4ZZ -0.00570 66 4XY 0.00493 67 4XZ 0.00606 68 4YZ 0.00900 69 9 H 1S 0.52721 70 2S 0.30808 71 10 C 1S 1.99201 72 2S 0.71237 73 2PX 0.58832 74 2PY 0.75282 75 2PZ 0.72766 76 3S 0.51857 77 3PX 0.39841 78 3PY 0.20196 79 3PZ 0.19120 80 4XX -0.02111 81 4YY 0.00269 82 4ZZ 0.00507 83 4XY 0.00593 84 4XZ 0.00490 85 4YZ 0.01262 86 11 H 1S 0.52867 87 2S 0.32009 88 12 C 1S 1.99265 89 2S 0.69841 90 2PX 0.62188 91 2PY 0.75045 92 2PZ 0.67902 93 3S 0.60994 94 3PX 0.34935 95 3PY 0.19043 96 3PZ 0.32532 97 4XX -0.01394 98 4YY 0.00199 99 4ZZ -0.00316 100 4XY 0.00813 101 4XZ 0.00515 102 4YZ 0.01023 103 13 C 1S 1.99236 104 2S 0.72874 105 2PX 0.61529 106 2PY 0.73577 107 2PZ 0.62335 108 3S 0.38544 109 3PX 0.18926 110 3PY 0.02568 111 3PZ 0.19161 112 4XX -0.01462 113 4YY 0.01114 114 4ZZ -0.01501 115 4XY 0.02782 116 4XZ 0.00550 117 4YZ 0.02903 118 14 C 1S 1.99200 119 2S 0.71656 120 2PX 0.62446 121 2PY 0.78442 122 2PZ 0.64983 123 3S 0.56616 124 3PX 0.33328 125 3PY 0.17897 126 3PZ 0.31249 127 4XX -0.01213 128 4YY 0.00405 129 4ZZ -0.00797 130 4XY 0.00933 131 4XZ 0.00495 132 4YZ 0.01073 133 15 C 1S 1.99200 134 2S 0.71657 135 2PX 0.62445 136 2PY 0.78443 137 2PZ 0.64983 138 3S 0.56617 139 3PX 0.33326 140 3PY 0.17896 141 3PZ 0.31250 142 4XX -0.01213 143 4YY 0.00405 144 4ZZ -0.00797 145 4XY 0.00933 146 4XZ 0.00495 147 4YZ 0.01073 148 16 C 1S 1.99236 149 2S 0.72874 150 2PX 0.61528 151 2PY 0.73577 152 2PZ 0.62337 153 3S 0.38543 154 3PX 0.18928 155 3PY 0.02566 156 3PZ 0.19160 157 4XX -0.01462 158 4YY 0.01114 159 4ZZ -0.01501 160 4XY 0.02782 161 4XZ 0.00550 162 4YZ 0.02904 163 17 C 1S 1.99265 164 2S 0.69842 165 2PX 0.62190 166 2PY 0.75045 167 2PZ 0.67903 168 3S 0.60990 169 3PX 0.34938 170 3PY 0.19041 171 3PZ 0.32531 172 4XX -0.01394 173 4YY 0.00199 174 4ZZ -0.00316 175 4XY 0.00813 176 4XZ 0.00515 177 4YZ 0.01023 178 18 H 1S 0.52752 179 2S 0.30775 180 19 H 1S 0.52756 181 2S 0.31305 182 20 H 1S 0.52756 183 2S 0.31305 184 21 H 1S 0.52753 185 2S 0.30776 186 22 O 1S 1.99242 187 2S 0.90551 188 2PX 0.96434 189 2PY 0.91600 190 2PZ 0.98051 191 3S 1.06348 192 3PX 0.61538 193 3PY 0.44694 194 3PZ 0.62243 195 4XX -0.01269 196 4YY -0.00044 197 4ZZ -0.01312 198 4XY 0.00848 199 4XZ 0.00037 200 4YZ 0.00830 201 23 O 1S 1.99242 202 2S 0.90552 203 2PX 0.96436 204 2PY 0.91601 205 2PZ 0.98049 206 3S 1.06348 207 3PX 0.61537 208 3PY 0.44693 209 3PZ 0.62242 210 4XX -0.01269 211 4YY -0.00044 212 4ZZ -0.01312 213 4XY 0.00848 214 4XZ 0.00037 215 4YZ 0.00830 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.116951 0.344246 0.368106 0.361846 -0.039357 -0.067761 2 H 0.344246 0.557200 -0.031417 -0.026320 0.000078 -0.002229 3 H 0.368106 -0.031417 0.566578 -0.034331 -0.001139 0.005411 4 C 0.361846 -0.026320 -0.034331 5.066730 0.366368 0.518905 5 H -0.039357 0.000078 -0.001139 0.366368 0.552407 -0.039643 6 C -0.067761 -0.002229 0.005411 0.518905 -0.039643 4.903684 7 H 0.006371 -0.000212 -0.000115 -0.049444 -0.003436 0.370579 8 C 0.361842 -0.026319 -0.034333 -0.072726 0.004901 -0.052839 9 H -0.039355 0.000077 -0.001138 0.004902 -0.000131 0.007082 10 C -0.067767 -0.002228 0.005411 -0.052838 0.007083 0.528941 11 H 0.006371 -0.000212 -0.000115 0.006254 -0.000109 -0.046833 12 C -0.026535 0.003419 -0.002932 -0.029984 0.001991 -0.028200 13 C 0.001507 -0.000029 0.000334 -0.000586 -0.000005 -0.001258 14 C 0.000121 -0.000002 -0.000006 -0.001294 -0.000030 0.000811 15 C 0.000121 -0.000002 -0.000006 -0.001227 0.000093 0.004817 16 C 0.001505 -0.000029 0.000334 -0.003627 -0.001179 -0.005162 17 C -0.026521 0.003419 -0.002932 0.104841 -0.014857 -0.002816 18 H -0.003133 0.000053 0.001511 0.000560 -0.000070 0.000592 19 H 0.000000 0.000000 0.000000 0.000009 0.000000 0.000056 20 H 0.000000 0.000000 0.000000 -0.000037 -0.000002 -0.000106 21 H -0.003131 0.000053 0.001511 -0.008525 -0.000164 0.000742 22 O 0.000126 -0.000001 0.000000 -0.003072 0.002478 -0.001454 23 O 0.000126 -0.000001 0.000000 -0.000009 0.000000 0.000091 7 8 9 10 11 12 1 C 0.006371 0.361842 -0.039355 -0.067767 0.006371 -0.026535 2 H -0.000212 -0.026319 0.000077 -0.002228 -0.000212 0.003419 3 H -0.000115 -0.034333 -0.001138 0.005411 -0.000115 -0.002932 4 C -0.049444 -0.072726 0.004902 -0.052838 0.006254 -0.029984 5 H -0.003436 0.004901 -0.000131 0.007083 -0.000109 0.001991 6 C 0.370579 -0.052839 0.007082 0.528941 -0.046833 -0.028200 7 H 0.567635 0.006254 -0.000109 -0.046838 -0.003209 -0.000308 8 C 0.006254 5.066799 0.366365 0.518869 -0.049440 0.104874 9 H -0.000109 0.366365 0.552420 -0.039643 -0.003436 -0.014861 10 C -0.046838 0.518869 -0.039643 4.903765 0.370576 -0.002837 11 H -0.003209 -0.049440 -0.003436 0.370576 0.567624 -0.000038 12 C -0.000308 0.104874 -0.014861 -0.002837 -0.000038 5.440353 13 C -0.000054 -0.003637 -0.001179 -0.005166 0.000955 0.353415 14 C 0.000128 -0.001227 0.000093 0.004821 0.000540 -0.112874 15 C 0.000540 -0.001294 -0.000030 0.000811 0.000129 -0.001273 16 C 0.000954 -0.000586 -0.000005 -0.001258 -0.000054 -0.005414 17 C -0.000037 -0.029998 0.001992 -0.028209 -0.000308 0.298468 18 H 0.000005 -0.008536 -0.000165 0.000743 -0.000049 0.343337 19 H -0.000001 -0.000037 -0.000002 -0.000106 0.000064 0.007116 20 H 0.000064 0.000009 0.000000 0.000056 -0.000001 -0.000724 21 H -0.000049 0.000559 -0.000070 0.000591 0.000005 -0.033406 22 O 0.000039 -0.000009 0.000000 0.000091 0.000000 0.005149 23 O 0.000000 -0.003071 0.002478 -0.001454 0.000040 -0.072880 13 14 15 16 17 18 1 C 0.001507 0.000121 0.000121 0.001505 -0.026521 -0.003133 2 H -0.000029 -0.000002 -0.000002 -0.000029 0.003419 0.000053 3 H 0.000334 -0.000006 -0.000006 0.000334 -0.002932 0.001511 4 C -0.000586 -0.001294 -0.001227 -0.003627 0.104841 0.000560 5 H -0.000005 -0.000030 0.000093 -0.001179 -0.014857 -0.000070 6 C -0.001258 0.000811 0.004817 -0.005162 -0.002816 0.000592 7 H -0.000054 0.000128 0.000540 0.000954 -0.000037 0.000005 8 C -0.003637 -0.001227 -0.001294 -0.000586 -0.029998 -0.008536 9 H -0.001179 0.000093 -0.000030 -0.000005 0.001992 -0.000165 10 C -0.005166 0.004821 0.000811 -0.001258 -0.028209 0.000743 11 H 0.000955 0.000540 0.000129 -0.000054 -0.000308 -0.000049 12 C 0.353415 -0.112874 -0.001273 -0.005414 0.298468 0.343337 13 C 4.384184 0.370898 -0.013067 -0.016945 -0.005419 -0.027292 14 C 0.370898 5.250391 0.418650 -0.013069 -0.001274 0.006580 15 C -0.013067 0.418650 5.250392 0.370895 -0.112876 -0.000511 16 C -0.016945 -0.013069 0.370895 4.384133 0.353457 0.002153 17 C -0.005419 -0.001274 -0.112876 0.353457 5.440318 -0.033399 18 H -0.027292 0.006580 -0.000511 0.002153 -0.033399 0.557438 19 H -0.031798 0.341329 -0.035030 0.003231 -0.000724 -0.000159 20 H 0.003231 -0.035033 0.341326 -0.031796 0.007117 0.000016 21 H 0.002153 -0.000511 0.006580 -0.027291 0.343337 -0.006739 22 O -0.000098 0.005854 -0.067767 0.521219 -0.072881 -0.000055 23 O 0.521224 -0.067763 0.005853 -0.000098 0.005149 0.002396 19 20 21 22 23 1 C 0.000000 0.000000 -0.003131 0.000126 0.000126 2 H 0.000000 0.000000 0.000053 -0.000001 -0.000001 3 H 0.000000 0.000000 0.001511 0.000000 0.000000 4 C 0.000009 -0.000037 -0.008525 -0.003072 -0.000009 5 H 0.000000 -0.000002 -0.000164 0.002478 0.000000 6 C 0.000056 -0.000106 0.000742 -0.001454 0.000091 7 H -0.000001 0.000064 -0.000049 0.000039 0.000000 8 C -0.000037 0.000009 0.000559 -0.000009 -0.003071 9 H -0.000002 0.000000 -0.000070 0.000000 0.002478 10 C -0.000106 0.000056 0.000591 0.000091 -0.001454 11 H 0.000064 -0.000001 0.000005 0.000000 0.000040 12 C 0.007116 -0.000724 -0.033406 0.005149 -0.072880 13 C -0.031798 0.003231 0.002153 -0.000098 0.521224 14 C 0.341329 -0.035033 -0.000511 0.005854 -0.067763 15 C -0.035030 0.341326 0.006580 -0.067767 0.005853 16 C 0.003231 -0.031796 -0.027291 0.521219 -0.000098 17 C -0.000724 0.007117 0.343337 -0.072881 0.005149 18 H -0.000159 0.000016 -0.006739 -0.000055 0.002396 19 H 0.561680 -0.006956 0.000016 -0.000069 0.001995 20 H -0.006956 0.561681 -0.000159 0.001995 -0.000069 21 H 0.000016 -0.000159 0.557445 0.002395 -0.000055 22 O -0.000069 0.001995 0.002395 8.103993 0.000000 23 O 0.001995 -0.000069 -0.000055 0.000000 8.103954 Mulliken charges: 1 1 C -0.295678 2 H 0.180457 3 H 0.159266 4 C -0.146396 5 H 0.164721 6 C -0.093410 7 H 0.151241 8 C -0.146421 9 H 0.164713 10 C -0.093417 11 H 0.151245 12 C -0.225856 13 C 0.468632 14 C -0.167134 15 C -0.167125 16 C 0.468633 17 C -0.225846 18 H 0.164725 19 H 0.159388 20 H 0.159389 21 H 0.164712 22 O -0.497933 23 O -0.497904 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.044045 4 C 0.018325 6 C 0.057830 8 C 0.018292 10 C 0.057829 12 C -0.061132 13 C 0.468632 14 C -0.007747 15 C -0.007736 16 C 0.468633 17 C -0.061134 22 O -0.497933 23 O -0.497904 Electronic spatial extent (au): = 1884.8731 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.0304 Y= -0.0005 Z= 1.0150 Tot= 3.1959 Quadrupole moment (field-independent basis, Debye-Ang): XX= -70.8605 YY= -90.9005 ZZ= -68.8667 XY= 0.0005 XZ= 5.1607 YZ= 0.0006 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.0154 YY= -14.0246 ZZ= 8.0092 XY= 0.0005 XZ= 5.1607 YZ= 0.0006 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 5.1942 YYY= -0.0070 ZZZ= -0.9443 XYY= -31.0585 XXY= 0.0031 XXZ= 1.3010 XZZ= 3.5405 YZZ= -0.0002 YYZ= 10.3227 XYZ= -0.0002 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1078.3675 YYYY= -1090.7995 ZZZZ= -386.0600 XXXY= 0.0032 XXXZ= 34.4264 YYYX= -0.0010 YYYZ= 0.0038 ZZZX= 7.5985 ZZZY= 0.0012 XXYY= -360.8264 XXZZ= -246.9769 YYZZ= -210.6003 XXYZ= 0.0008 YYXZ= 16.1711 ZZXY= -0.0019 N-N= 7.762478145055D+02 E-N=-2.891250367345D+03 KE= 5.702165325262D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.132703 29.026028 2 O -19.132689 29.026277 3 O -10.274837 15.887699 4 O -10.274822 15.885757 5 O -10.226021 15.889337 6 O -10.226009 15.886236 7 O -10.214680 15.872834 8 O -10.213872 15.886964 9 O -10.213592 15.884234 10 O -10.209362 15.880417 11 O -10.208864 15.891826 12 O -10.207676 15.875959 13 O -10.207137 15.886297 14 O -1.031532 2.599217 15 O -1.029440 2.647096 16 O -0.889654 1.403020 17 O -0.833730 1.611641 18 O -0.769952 1.577957 19 O -0.728793 1.512627 20 O -0.727858 1.554158 21 O -0.685791 1.855278 22 O -0.623259 1.412383 23 O -0.584906 1.485947 24 O -0.579906 1.376919 25 O -0.549229 1.335745 26 O -0.537772 0.982752 27 O -0.492171 1.409622 28 O -0.482327 1.660535 29 O -0.467578 1.060635 30 O -0.467214 1.593643 31 O -0.446757 1.187505 32 O -0.417018 2.128994 33 O -0.407509 1.353639 34 O -0.406964 1.311338 35 O -0.400051 1.634393 36 O -0.395712 1.353746 37 O -0.393199 1.495998 38 O -0.390806 1.747392 39 O -0.378770 1.566593 40 O -0.372108 1.423775 41 O -0.328526 1.280206 42 O -0.286859 1.379995 43 O -0.258046 1.593051 44 O -0.254005 1.803050 45 O -0.251431 1.981375 46 O -0.241148 2.008178 47 V -0.090826 1.805166 48 V -0.037411 1.483675 49 V -0.021615 1.392470 50 V 0.040901 1.918109 51 V 0.068730 1.618366 52 V 0.080150 0.951121 53 V 0.108348 1.001799 54 V 0.120689 0.990434 55 V 0.135532 1.044278 56 V 0.135782 1.294123 57 V 0.150954 1.218702 58 V 0.151366 1.184249 59 V 0.159623 1.497133 60 V 0.173774 1.333346 61 V 0.174882 1.295454 62 V 0.196954 1.530951 63 V 0.198716 1.664532 64 V 0.206714 1.324276 65 V 0.219153 1.583164 66 V 0.252730 1.680468 67 V 0.269505 1.445088 68 V 0.295134 1.713784 69 V 0.318358 1.935882 70 V 0.335731 1.539210 71 V 0.345337 2.190042 72 V 0.361942 2.304280 73 V 0.379298 1.639532 74 V 0.430606 1.700127 75 V 0.448580 2.610336 76 V 0.484266 2.208557 77 V 0.485574 1.819437 78 V 0.503532 1.824304 79 V 0.519240 2.031635 80 V 0.528326 2.069094 81 V 0.544306 1.933036 82 V 0.547797 2.192685 83 V 0.561392 2.008541 84 V 0.566975 2.075843 85 V 0.584437 2.037894 86 V 0.602224 2.223418 87 V 0.617920 2.577753 88 V 0.624382 2.120671 89 V 0.649029 2.522547 90 V 0.656936 2.583230 91 V 0.664562 3.131747 92 V 0.675713 2.673983 93 V 0.692484 2.479761 94 V 0.724725 2.442706 95 V 0.728574 2.461981 96 V 0.745590 2.504930 97 V 0.750015 2.587769 98 V 0.768367 2.422718 99 V 0.792223 2.600960 100 V 0.804155 2.416660 101 V 0.815401 2.547287 102 V 0.821282 2.824891 103 V 0.826017 2.567533 104 V 0.826828 2.690372 105 V 0.839293 2.810742 106 V 0.842468 2.799139 107 V 0.865696 2.481370 108 V 0.873007 2.677230 109 V 0.882900 2.465138 110 V 0.893352 2.565393 111 V 0.915678 2.467000 112 V 0.923479 2.537480 113 V 0.928566 2.454340 114 V 0.949003 2.710244 115 V 0.958530 2.420565 116 V 0.968064 2.615520 117 V 0.992059 2.807000 118 V 1.015203 2.381384 119 V 1.046420 3.018154 120 V 1.057925 2.984947 121 V 1.069617 2.757213 122 V 1.092712 2.427691 123 V 1.124908 3.029642 124 V 1.147223 2.334375 125 V 1.181319 2.455812 126 V 1.209151 2.414191 127 V 1.223908 2.486674 128 V 1.233217 2.544480 129 V 1.274255 2.460128 130 V 1.283210 2.411220 131 V 1.341270 2.767958 132 V 1.357844 2.616570 133 V 1.400749 2.538117 134 V 1.407829 2.628291 135 V 1.417766 2.603380 136 V 1.421199 2.621657 137 V 1.437195 2.689736 138 V 1.453576 2.653991 139 V 1.486318 2.714415 140 V 1.522427 2.877023 141 V 1.539877 2.718933 142 V 1.545100 2.742879 143 V 1.628882 2.869502 144 V 1.640445 2.862040 145 V 1.652439 2.945875 146 V 1.701795 3.250526 147 V 1.771303 2.839988 148 V 1.775215 3.043356 149 V 1.794554 3.108155 150 V 1.832374 2.922037 151 V 1.845135 3.083985 152 V 1.847111 3.289203 153 V 1.859481 3.252789 154 V 1.890092 3.197925 155 V 1.902499 3.165028 156 V 1.910370 3.312538 157 V 1.919768 3.029968 158 V 1.925116 3.385322 159 V 1.942442 3.434989 160 V 1.983021 3.606894 161 V 1.985845 3.369848 162 V 2.024533 3.655592 163 V 2.042173 3.471865 164 V 2.052203 3.532887 165 V 2.082697 3.426857 166 V 2.098490 3.496837 167 V 2.104975 3.475089 168 V 2.114751 3.611710 169 V 2.136588 3.522293 170 V 2.201862 3.775959 171 V 2.204442 3.613816 172 V 2.217500 3.544423 173 V 2.242126 3.550189 174 V 2.277689 3.603389 175 V 2.282215 3.648833 176 V 2.307506 3.794038 177 V 2.320146 3.783283 178 V 2.344034 3.633903 179 V 2.368083 3.753595 180 V 2.403921 3.736148 181 V 2.452239 4.004481 182 V 2.471192 3.860392 183 V 2.507134 4.166229 184 V 2.572419 4.088514 185 V 2.579784 4.025330 186 V 2.597439 3.867098 187 V 2.628709 4.147795 188 V 2.628907 4.574806 189 V 2.634075 4.185417 190 V 2.655814 4.452690 191 V 2.668944 4.211301 192 V 2.680948 4.189354 193 V 2.711629 4.496495 194 V 2.763748 4.539014 195 V 2.832364 4.520441 196 V 2.911415 4.763314 197 V 2.955352 4.473269 198 V 2.969696 4.702566 199 V 2.979056 4.938656 200 V 3.016230 5.041075 201 V 3.182049 4.869621 202 V 3.254103 5.167018 203 V 3.993132 10.221957 204 V 4.031794 10.096200 205 V 4.088924 10.510456 206 V 4.186409 10.275031 207 V 4.256454 10.344592 208 V 4.306591 10.413429 209 V 4.353871 10.443232 210 V 4.365468 10.631232 211 V 4.524674 10.465968 212 V 4.544383 10.815605 213 V 4.638095 10.713813 214 V 4.662145 11.232404 215 V 4.945366 11.803940 Total kinetic energy from orbitals= 5.702165325262D+02 1|1| IMPERIAL COLLEGE-CHWS-268|SP|RB3LYP|6-31G(d)|C11H10O2|JV1214|02-N ov-2016|0||# b3lyp/6-31g(d) geom=connectivity pop=full gfprint||Title Card Required||0,1|C,0,-2.38567079,-0.00008787,-0.65931329|H,0,-3.4509 109,-0.00022073,-0.37472543|H,0,-2.32999177,-0.00001796,-1.74930921|C, 0,-1.70648696,1.15437137,0.04276392|H,0,-1.87283272,2.19579417,-0.2108 0312|C,0,-1.37771363,0.69957615,1.33142575|H,0,-1.05061201,1.32918706, 2.15156175|C,0,-1.70623883,-1.15451394,0.04260077|H,0,-1.87262792,-2.1 9594495,-0.21094011|C,0,-1.37758192,-0.69978116,1.33136388|H,0,-1.0503 869,-1.32941551,2.15144534|C,0,0.1391439,-0.70503183,-1.07685684|C,0,1 .11215568,-1.46087328,-0.25628938|C,0,1.91039372,-0.67237485,0.7217551 4|C,0,1.91030935,0.67258088,0.72174606|C,0,1.11199466,1.46098455,-0.25 632148|C,0,0.13916684,0.70502778,-1.07692251|H,0,-0.22054289,-1.246304 38,-1.94713889|H,0,2.53229319,-1.25292372,1.39890193|H,0,2.53213177,1. 25321529,1.39889061|H,0,-0.22068428,1.24626232,-1.94714955|O,0,1.27406 945,2.67255419,-0.36603682|O,0,1.27434708,-2.67241649,-0.36601887||Ver sion=EM64W-G09RevD.01|State=1-A|HF=-575.5291854|RMSD=4.344e-009|Dipole =-1.1922602,-0.0002046,0.3993228|Quadrupole=4.4723077,-10.4269316,5.95 46238,0.0003801,3.8368855,0.0004199|PG=C01 [X(C11H10O2)]||@ THOSE WHO ARE UNABLE TO LEARN FROM PAST MEETINGS ARE CONDEMNED TO REPEAT THEM. Job cpu time: 0 days 0 hours 1 minutes 4.0 seconds. File lengths (MBytes): RWF= 27 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Wed Nov 02 13:30:00 2016.