Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 5568. 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 23-Feb-2018 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\fp1615\Desktop\TRANSITION STATES LAB 3RD YEAR\ex1\fp16 15_ex2_endoenergy.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine pop=full gf print ---------------------------------------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,74=-5,75=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -1.85897 1.61172 0. C -1.56975 0.95108 -1.17981 C -1.56985 3.68386 -1.17976 C -1.85904 3.02316 0.00003 H -2.30224 1.07206 0.83308 H -2.30236 3.56275 0.83312 C -3.42844 1.62577 -2.35667 H -3.12324 0.97124 -3.16158 C -3.42843 3.00917 -2.35667 H -3.12323 3.6637 -3.16157 H -1.70874 4.7628 -1.22834 H -1.70856 -0.12787 -1.22842 C -0.58989 3.09635 -2.17405 H -0.78974 3.48935 -3.17999 H 0.41513 3.45737 -1.91564 C -0.5899 1.53869 -2.17415 H -0.78988 1.14581 -3.18011 H 0.41516 1.17762 -1.91592 O -4.46981 1.17342 -1.54984 O -4.46982 3.46152 -1.54985 C -5.2601 2.31748 -1.25919 H -5.52831 2.31747 -0.19902 H -6.1673 2.31748 -1.88925 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.858974 1.611722 0.000000 2 6 0 -1.569754 0.951077 -1.179811 3 6 0 -1.569852 3.683863 -1.179760 4 6 0 -1.859036 3.023157 0.000029 5 1 0 -2.302236 1.072063 0.833082 6 1 0 -2.302356 3.562746 0.833124 7 6 0 -3.428442 1.625770 -2.356673 8 1 0 -3.123236 0.971241 -3.161579 9 6 0 -3.428430 3.009169 -2.356666 10 1 0 -3.123226 3.663701 -3.161571 11 1 0 -1.708736 4.762803 -1.228340 12 1 0 -1.708564 -0.127872 -1.228422 13 6 0 -0.589893 3.096352 -2.174052 14 1 0 -0.789738 3.489351 -3.179995 15 1 0 0.415135 3.457374 -1.915641 16 6 0 -0.589902 1.538691 -2.174147 17 1 0 -0.789881 1.145814 -3.180112 18 1 0 0.415156 1.177625 -1.915915 19 8 0 -4.469811 1.173419 -1.549843 20 8 0 -4.469820 3.461516 -1.549849 21 6 0 -5.260101 2.317478 -1.259185 22 1 0 -5.528308 2.317469 -0.199015 23 1 0 -6.167298 2.317476 -1.889245 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.382770 0.000000 3 C 2.401915 2.732786 0.000000 4 C 1.411435 2.401920 1.382773 0.000000 5 H 1.087078 2.145438 3.377783 2.167296 0.000000 6 H 2.167297 3.377784 2.145445 1.087077 2.490683 7 C 2.831490 2.301073 3.012512 3.157494 3.427750 8 H 3.464701 2.518158 3.701206 3.975466 4.079402 9 C 3.157519 3.012542 2.301007 2.831467 3.898100 10 H 3.975485 3.701213 2.518125 3.464706 4.831963 11 H 3.385366 3.814568 1.088926 2.134912 4.268872 12 H 2.134908 1.088927 3.814568 3.385368 2.458066 13 C 2.922532 2.559462 1.514630 2.518474 4.009080 14 H 3.844623 3.324454 2.155772 3.387224 4.922979 15 H 3.499669 3.280664 2.129082 3.005027 4.541948 16 C 2.518490 1.514630 2.559467 2.922564 3.491884 17 H 3.387203 2.155766 3.324373 3.844581 4.289334 18 H 3.005135 2.129094 3.280764 3.499826 3.866826 19 O 3.067669 2.932011 3.853447 3.555247 3.222885 20 O 3.555318 3.853520 2.931931 3.067650 4.010769 21 C 3.694767 3.935989 3.935893 3.694705 3.831136 22 H 3.741884 4.301062 4.300961 3.741814 3.608850 23 H 4.756994 4.848480 4.848391 4.756938 4.888847 6 7 8 9 10 6 H 0.000000 7 C 3.898044 0.000000 8 H 4.831914 1.081403 0.000000 9 C 3.427718 1.383399 2.212279 0.000000 10 H 4.079413 2.212279 2.692460 1.081404 0.000000 11 H 2.458080 3.751200 4.484882 2.702906 2.635562 12 H 4.268867 2.702997 2.635610 3.751253 4.484904 13 C 3.491871 3.202081 3.450961 2.845741 2.777563 14 H 4.289350 3.333699 3.433137 2.805555 2.340065 15 H 3.866726 4.280463 4.500365 3.894661 3.756982 16 C 4.009112 2.845735 2.777553 3.202009 3.450856 17 H 4.922926 2.805426 2.339950 3.333481 3.432870 18 H 4.542124 3.894656 3.756926 4.280417 4.500264 19 O 4.010645 1.392855 2.109937 2.259517 3.257678 20 O 3.222842 2.259512 3.257673 1.392862 2.109939 21 C 3.831019 2.244530 3.161906 2.244531 3.161902 22 H 3.608711 3.089235 4.046417 3.089238 4.046418 23 H 4.888739 2.863264 3.563355 2.863271 3.563356 11 12 13 14 15 11 H 0.000000 12 H 4.890675 0.000000 13 C 2.218837 3.541364 0.000000 14 H 2.505034 4.211553 1.098320 0.000000 15 H 2.585992 4.223311 1.098724 1.746806 0.000000 16 C 3.541361 2.218836 1.557661 2.203801 2.181346 17 H 4.211451 2.505065 2.203804 2.343537 2.897285 18 H 4.223408 2.585954 2.181346 2.897196 2.279749 19 O 4.539887 3.069390 4.375051 4.643692 5.404901 20 O 3.069251 4.539995 3.946746 4.025066 4.898633 21 C 4.311932 4.312087 4.822289 5.004692 5.825685 22 H 4.650623 4.650787 5.375442 5.719580 6.290525 23 H 5.127884 5.128033 5.638724 5.653095 6.680456 16 17 18 19 20 16 C 0.000000 17 H 1.098321 0.000000 18 H 1.098724 1.746803 0.000000 19 O 3.946755 4.024975 4.898666 0.000000 20 O 4.375016 4.643510 5.404919 2.288097 0.000000 21 C 4.822284 5.004560 5.825728 1.420532 1.420511 22 H 5.375453 5.719476 6.290608 2.062523 2.062521 23 H 5.638707 5.652941 6.680469 2.074975 2.074958 21 22 23 21 C 0.000000 22 H 1.093570 0.000000 23 H 1.104528 1.806982 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.813668 0.705753 1.466741 2 6 0 -1.102888 1.366398 0.286930 3 6 0 -1.102790 -1.366388 0.286981 4 6 0 -0.813606 -0.705682 1.466770 5 1 0 -0.370406 1.245412 2.299823 6 1 0 -0.370286 -1.245271 2.299865 7 6 0 0.755800 0.691705 -0.889932 8 1 0 0.450594 1.346234 -1.694838 9 6 0 0.755788 -0.691694 -0.889925 10 1 0 0.450584 -1.346226 -1.694830 11 1 0 -0.963906 -2.445328 0.238401 12 1 0 -0.964078 2.445347 0.238319 13 6 0 -2.082749 -0.778877 -0.707311 14 1 0 -1.882904 -1.171876 -1.713254 15 1 0 -3.087777 -1.139899 -0.448900 16 6 0 -2.082740 0.778784 -0.707406 17 1 0 -1.882761 1.171661 -1.713371 18 1 0 -3.087798 1.139850 -0.449174 19 8 0 1.797169 1.144056 -0.083102 20 8 0 1.797178 -1.144041 -0.083108 21 6 0 2.587459 -0.000003 0.207556 22 1 0 2.855666 0.000006 1.267726 23 1 0 3.494656 -0.000001 -0.422504 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9534191 0.9990650 0.9274406 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.537609573736 1.333679792036 2.771738636557 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 -1.537609573736 1.333679792036 2.771738636557 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 -1.537609573736 1.333679792036 2.771738636557 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.537609573736 1.333679792036 2.771738636557 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -2.084156149812 2.582117920135 0.542218957991 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -2.084156149812 2.582117920135 0.542218957991 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -2.084156149812 2.582117920135 0.542218957991 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -2.084156149812 2.582117920135 0.542218957991 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -2.083971023155 -2.582099199652 0.542315334024 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C3 Shell 10 SP 3 bf 32 - 35 -2.083971023155 -2.582099199652 0.542315334024 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C3 Shell 11 SP 1 bf 36 - 39 -2.083971023155 -2.582099199652 0.542315334024 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -2.083971023155 -2.582099199652 0.542315334024 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -1.537492445064 -1.333545812335 2.771793438615 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 -1.537492445064 -1.333545812335 2.771793438615 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 -1.537492445064 -1.333545812335 2.771793438615 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -1.537492445064 -1.333545812335 2.771793438615 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 -0.699965775488 2.353487496396 4.346035462793 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 -0.699965775488 2.353487496396 4.346035462793 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 -0.699739068964 -2.353221257441 4.346114831291 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 -0.699739068964 -2.353221257441 4.346114831291 0.1612777588D+00 0.1000000000D+01 Atom C7 Shell 21 S 6 bf 65 - 65 1.428255120250 1.307132881128 -1.681727918209 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C7 Shell 22 SP 3 bf 66 - 69 1.428255120250 1.307132881128 -1.681727918209 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C7 Shell 23 SP 1 bf 70 - 73 1.428255120250 1.307132881128 -1.681727918209 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C7 Shell 24 D 1 bf 74 - 79 1.428255120250 1.307132881128 -1.681727918209 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 25 S 3 bf 80 - 80 0.851499382064 2.544013444587 -3.202779820926 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 26 S 1 bf 81 - 81 0.851499382064 2.544013444587 -3.202779820926 0.1612777588D+00 0.1000000000D+01 Atom C9 Shell 27 S 6 bf 82 - 82 1.428232409870 -1.307112361380 -1.681714690126 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C9 Shell 28 SP 3 bf 83 - 86 1.428232409870 -1.307112361380 -1.681714690126 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C9 Shell 29 SP 1 bf 87 - 90 1.428232409870 -1.307112361380 -1.681714690126 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C9 Shell 30 D 1 bf 91 - 96 1.428232409870 -1.307112361380 -1.681714690126 0.8000000000D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 0.851480419281 -2.543998579162 -3.202764703117 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 0.851480419281 -2.543998579162 -3.202764703117 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 -1.821518325172 -4.621000316847 0.450512438488 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 -1.821518325172 -4.621000316847 0.450512438488 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -1.821843239050 4.621036038108 0.450357480945 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 -1.821843239050 4.621036038108 0.450357480945 0.1612777588D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 -3.935825140314 -1.471864285746 -1.336624242096 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 -3.935825140314 -1.471864285746 -1.336624242096 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 -3.935825140314 -1.471864285746 -1.336624242096 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 -3.935825140314 -1.471864285746 -1.336624242096 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 41 S 3 bf 118 - 118 -3.558172830851 -2.214524771107 -3.237581017389 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 42 S 1 bf 119 - 119 -3.558172830851 -2.214524771107 -3.237581017389 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 43 S 3 bf 120 - 120 -5.835052824981 -2.154096969235 -0.848298222370 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 44 S 1 bf 121 - 121 -5.835052824981 -2.154096969235 -0.848298222370 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 -3.935808094872 1.471688412130 -1.336803766078 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 46 SP 3 bf 123 - 126 -3.935808094872 1.471688412130 -1.336803766078 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 47 SP 1 bf 127 - 130 -3.935808094872 1.471688412130 -1.336803766078 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 -3.935808094872 1.471688412130 -1.336803766078 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 49 S 3 bf 137 - 137 -3.557902542983 2.214118341174 -3.237802115346 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 50 S 1 bf 138 - 138 -3.557902542983 2.214118341174 -3.237802115346 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 -5.835092453751 2.154004292486 -0.848816007331 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 -5.835092453751 2.154004292486 -0.848816007331 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 3.396157344535 2.161952361722 -0.157040182413 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 O19 Shell 54 SP 3 bf 142 - 145 3.396157344535 2.161952361722 -0.157040182413 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 O19 Shell 55 SP 1 bf 146 - 149 3.396157344535 2.161952361722 -0.157040182413 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 3.396157344535 2.161952361722 -0.157040182413 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 3.396174296388 -2.161924333755 -0.157051520770 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 O20 Shell 58 SP 3 bf 157 - 160 3.396174296388 -2.161924333755 -0.157051520770 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 O20 Shell 59 SP 1 bf 161 - 164 3.396174296388 -2.161924333755 -0.157051520770 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 3.396174296388 -2.161924333755 -0.157051520770 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 4.889588982252 -0.000005847373 0.392223835919 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 C21 Shell 62 SP 3 bf 172 - 175 4.889588982252 -0.000005847373 0.392223835919 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 C21 Shell 63 SP 1 bf 176 - 179 4.889588982252 -0.000005847373 0.392223835919 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 4.889588982252 -0.000005847373 0.392223835919 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 5.396426759175 0.000011153636 2.395654790221 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 5.396426759175 0.000011153636 2.395654790221 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 6.603942860827 -0.000002089997 -0.798417011367 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 6.603942860827 -0.000002089997 -0.798417011367 0.1612777588D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 649.1469702180 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.09D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.490586540 A.U. after 15 cycles NFock= 15 Conv=0.40D-08 -V/T= 2.0093 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.16815 -19.16815 -10.28602 -10.23738 -10.23677 Alpha occ. eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 Alpha occ. eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 Alpha occ. eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60673 Alpha occ. eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 Alpha occ. eigenvalues -- -0.45310 -0.45144 -0.43988 -0.40847 -0.39752 Alpha occ. eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 Alpha occ. eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 Alpha occ. eigenvalues -- -0.19051 Alpha virt. eigenvalues -- -0.00462 0.01543 0.08100 0.10931 0.11268 Alpha virt. eigenvalues -- 0.11965 0.13058 0.13383 0.14566 0.15451 Alpha virt. eigenvalues -- 0.16965 0.17165 0.17519 0.18002 0.19724 Alpha virt. eigenvalues -- 0.20300 0.21251 0.24290 0.24319 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32867 0.37585 0.43552 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50574 0.53041 Alpha virt. eigenvalues -- 0.53410 0.54682 0.57017 0.57365 0.58250 Alpha virt. eigenvalues -- 0.58292 0.60597 0.62645 0.64669 0.65172 Alpha virt. eigenvalues -- 0.68028 0.69177 0.72548 0.73815 0.74711 Alpha virt. eigenvalues -- 0.76306 0.80486 0.81303 0.82474 0.83568 Alpha virt. eigenvalues -- 0.84781 0.84911 0.85911 0.86660 0.88230 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89725 0.90402 0.91950 Alpha virt. eigenvalues -- 0.95055 0.96227 0.97337 0.98560 1.01136 Alpha virt. eigenvalues -- 1.05344 1.07611 1.12043 1.12967 1.14032 Alpha virt. eigenvalues -- 1.14811 1.19961 1.20299 1.25152 1.28997 Alpha virt. eigenvalues -- 1.31433 1.32932 1.39992 1.41503 1.44140 Alpha virt. eigenvalues -- 1.46298 1.48673 1.53314 1.56386 1.58415 Alpha virt. eigenvalues -- 1.62900 1.64402 1.67986 1.73242 1.74685 Alpha virt. eigenvalues -- 1.75980 1.79216 1.85799 1.87090 1.89381 Alpha virt. eigenvalues -- 1.89864 1.94417 1.96129 1.96313 1.98887 Alpha virt. eigenvalues -- 2.01316 2.01546 2.02324 2.05925 2.07782 Alpha virt. eigenvalues -- 2.09881 2.11356 2.18124 2.18373 2.23784 Alpha virt. eigenvalues -- 2.26189 2.27822 2.27962 2.31628 2.31861 Alpha virt. eigenvalues -- 2.37240 2.41459 2.44860 2.45989 2.46407 Alpha virt. eigenvalues -- 2.48233 2.51089 2.55041 2.59078 2.63366 Alpha virt. eigenvalues -- 2.64875 2.67413 2.69191 2.70151 2.75476 Alpha virt. eigenvalues -- 2.76760 2.80346 2.88868 2.89674 2.94339 Alpha virt. eigenvalues -- 3.13276 3.13758 4.01189 4.12432 4.12773 Alpha virt. eigenvalues -- 4.22312 4.28836 4.36076 4.37991 4.44862 Alpha virt. eigenvalues -- 4.50900 4.60326 4.87096 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.16815 -19.16815 -10.28602 -10.23738 -10.23677 1 1 C 1S 0.00003 0.00001 -0.00001 -0.00016 -0.00014 2 2S 0.00008 0.00000 -0.00003 -0.00021 -0.00032 3 2PX 0.00006 0.00003 -0.00004 -0.00009 -0.00005 4 2PY 0.00001 0.00001 0.00001 0.00005 -0.00002 5 2PZ -0.00002 -0.00002 -0.00004 0.00014 0.00014 6 3S -0.00097 0.00005 0.00056 0.00021 0.00042 7 3PX -0.00010 -0.00001 0.00004 0.00015 0.00041 8 3PY 0.00029 -0.00002 0.00012 -0.00018 -0.00110 9 3PZ 0.00033 0.00004 -0.00013 -0.00010 0.00054 10 4XX 0.00008 0.00003 -0.00003 -0.00015 -0.00015 11 4YY 0.00005 0.00003 -0.00001 -0.00013 -0.00013 12 4ZZ 0.00003 0.00001 0.00000 -0.00014 -0.00013 13 4XY 0.00001 -0.00001 0.00001 -0.00004 -0.00008 14 4XZ -0.00001 -0.00001 0.00002 -0.00003 -0.00002 15 4YZ -0.00001 0.00000 0.00000 -0.00004 0.00001 16 2 C 1S -0.00001 -0.00001 0.00003 -0.00009 -0.00025 17 2S -0.00011 -0.00007 0.00008 -0.00040 -0.00093 18 2PX 0.00003 0.00004 0.00004 -0.00006 -0.00005 19 2PY 0.00000 0.00001 -0.00004 0.00007 0.00013 20 2PZ 0.00002 0.00002 0.00002 -0.00002 -0.00005 21 3S 0.00095 0.00042 -0.00054 0.00142 0.00418 22 3PX -0.00006 -0.00013 -0.00018 0.00077 0.00117 23 3PY -0.00040 -0.00015 0.00038 -0.00027 -0.00133 24 3PZ -0.00019 -0.00026 -0.00029 -0.00005 0.00027 25 4XX 0.00003 0.00001 0.00004 -0.00002 -0.00012 26 4YY 0.00000 -0.00001 0.00003 -0.00018 -0.00028 27 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 28 4XY 0.00001 0.00001 0.00002 -0.00008 -0.00014 29 4XZ 0.00001 0.00000 -0.00002 -0.00008 -0.00009 30 4YZ 0.00001 0.00002 0.00002 0.00000 0.00001 31 3 C 1S 0.00001 -0.00002 0.00003 -0.00009 0.00025 32 2S 0.00009 -0.00010 0.00008 -0.00040 0.00093 33 2PX -0.00002 0.00004 0.00004 -0.00006 0.00005 34 2PY -0.00001 -0.00001 0.00004 -0.00007 0.00013 35 2PZ -0.00001 0.00003 0.00002 -0.00002 0.00005 36 3S -0.00078 0.00069 -0.00054 0.00143 -0.00418 37 3PX 0.00002 -0.00015 -0.00018 0.00077 -0.00116 38 3PY -0.00033 0.00026 -0.00038 0.00028 -0.00133 39 3PZ 0.00010 -0.00030 -0.00029 -0.00005 -0.00027 40 4XX -0.00003 0.00002 0.00004 -0.00002 0.00012 41 4YY 0.00000 -0.00001 0.00003 -0.00018 0.00028 42 4ZZ 0.00000 0.00000 0.00002 -0.00010 0.00022 43 4XY 0.00000 -0.00001 -0.00002 0.00008 -0.00014 44 4XZ -0.00001 0.00001 -0.00002 -0.00008 0.00009 45 4YZ 0.00001 -0.00002 -0.00002 0.00000 0.00001 46 4 C 1S -0.00002 0.00002 -0.00001 -0.00016 0.00014 47 2S -0.00008 0.00003 -0.00003 -0.00021 0.00032 48 2PX -0.00005 0.00005 -0.00004 -0.00009 0.00005 49 2PY 0.00001 -0.00001 -0.00001 -0.00005 -0.00003 50 2PZ 0.00001 -0.00002 -0.00004 0.00014 -0.00014 51 3S 0.00094 -0.00024 0.00056 0.00021 -0.00042 52 3PX 0.00009 -0.00004 0.00004 0.00015 -0.00041 53 3PY 0.00028 -0.00007 -0.00012 0.00018 -0.00110 54 3PZ -0.00030 0.00014 -0.00013 -0.00010 -0.00054 55 4XX -0.00007 0.00006 -0.00003 -0.00015 0.00015 56 4YY -0.00004 0.00004 -0.00001 -0.00013 0.00013 57 4ZZ -0.00003 0.00002 0.00000 -0.00014 0.00013 58 4XY 0.00002 0.00000 -0.00001 0.00004 -0.00008 59 4XZ 0.00001 -0.00001 0.00002 -0.00003 0.00002 60 4YZ -0.00001 0.00000 0.00000 0.00004 0.00001 61 5 H 1S 0.00004 0.00001 -0.00003 0.00005 -0.00002 62 2S -0.00006 -0.00001 -0.00005 -0.00014 -0.00013 63 6 H 1S -0.00004 0.00002 -0.00003 0.00005 0.00002 64 2S 0.00005 -0.00003 -0.00005 -0.00014 0.00013 65 7 C 1S 0.00001 0.00000 -0.00012 0.70156 0.70285 66 2S 0.00019 0.00022 -0.00037 0.03458 0.03564 67 2PX 0.00023 0.00011 0.00006 0.00042 0.00032 68 2PY 0.00011 0.00011 0.00013 0.00028 -0.00007 69 2PZ 0.00020 0.00011 0.00003 0.00052 0.00061 70 3S -0.00181 -0.00105 0.00100 -0.00726 -0.01891 71 3PX -0.00111 -0.00020 0.00084 0.00005 0.00002 72 3PY -0.00054 -0.00041 -0.00051 -0.00056 0.00447 73 3PZ -0.00101 -0.00021 0.00071 -0.00060 -0.00249 74 4XX 0.00009 0.00004 0.00012 -0.00638 -0.00611 75 4YY 0.00014 -0.00003 -0.00003 -0.00642 -0.00590 76 4ZZ 0.00006 -0.00001 -0.00006 -0.00634 -0.00608 77 4XY 0.00004 0.00006 -0.00004 0.00009 -0.00004 78 4XZ 0.00006 0.00003 0.00017 0.00020 0.00020 79 4YZ 0.00004 0.00006 0.00001 -0.00008 -0.00001 80 8 H 1S 0.00003 0.00011 0.00006 -0.00027 -0.00008 81 2S -0.00005 0.00008 0.00031 0.00163 0.00089 82 9 C 1S -0.00001 0.00000 -0.00012 0.70251 -0.70190 83 2S -0.00012 0.00027 -0.00037 0.03462 -0.03560 84 2PX -0.00019 0.00017 0.00006 0.00042 -0.00032 85 2PY 0.00007 -0.00014 -0.00013 -0.00028 -0.00007 86 2PZ -0.00015 0.00016 0.00003 0.00052 -0.00061 87 3S 0.00141 -0.00155 0.00100 -0.00728 0.01890 88 3PX 0.00100 -0.00053 0.00084 0.00005 -0.00001 89 3PY -0.00039 0.00056 0.00051 0.00055 0.00447 90 3PZ 0.00090 -0.00051 0.00071 -0.00060 0.00249 91 4XX -0.00008 0.00007 0.00012 -0.00638 0.00611 92 4YY -0.00014 0.00001 -0.00003 -0.00643 0.00589 93 4ZZ -0.00006 0.00001 -0.00006 -0.00635 0.00607 94 4XY 0.00002 -0.00007 0.00004 -0.00009 -0.00004 95 4XZ -0.00005 0.00005 0.00017 0.00020 -0.00020 96 4YZ 0.00002 -0.00007 -0.00001 0.00008 -0.00001 97 10 H 1S 0.00000 0.00011 0.00006 -0.00027 0.00008 98 2S 0.00008 0.00006 0.00031 0.00163 -0.00088 99 11 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 100 2S -0.00005 0.00004 -0.00012 -0.00010 0.00006 101 12 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 102 2S 0.00006 0.00003 -0.00012 -0.00010 -0.00006 103 13 C 1S -0.00002 0.00002 -0.00002 -0.00007 0.00005 104 2S -0.00010 0.00009 -0.00005 -0.00009 0.00007 105 2PX -0.00002 0.00000 -0.00004 -0.00013 0.00014 106 2PY 0.00000 0.00002 -0.00004 -0.00003 -0.00001 107 2PZ 0.00001 -0.00002 0.00000 0.00005 0.00002 108 3S 0.00075 -0.00061 0.00003 0.00021 0.00052 109 3PX 0.00039 -0.00026 0.00022 0.00031 -0.00031 110 3PY 0.00016 0.00005 0.00017 -0.00004 0.00019 111 3PZ 0.00011 -0.00013 0.00006 -0.00029 0.00052 112 4XX -0.00001 0.00000 -0.00002 -0.00005 0.00006 113 4YY -0.00001 0.00002 -0.00003 -0.00005 0.00004 114 4ZZ -0.00001 0.00001 -0.00002 -0.00003 0.00003 115 4XY 0.00000 0.00001 0.00000 -0.00003 -0.00001 116 4XZ 0.00002 -0.00002 0.00002 -0.00002 0.00001 117 4YZ 0.00000 0.00000 0.00001 -0.00002 0.00005 118 14 H 1S -0.00005 0.00004 -0.00002 -0.00003 0.00004 119 2S 0.00002 -0.00001 0.00007 -0.00036 0.00027 120 15 H 1S 0.00000 0.00001 0.00002 0.00000 -0.00004 121 2S 0.00009 -0.00003 0.00011 0.00031 -0.00036 122 16 C 1S 0.00002 0.00001 -0.00002 -0.00007 -0.00005 123 2S 0.00012 0.00005 -0.00005 -0.00009 -0.00007 124 2PX 0.00001 -0.00001 -0.00004 -0.00013 -0.00014 125 2PY 0.00000 -0.00002 0.00004 0.00003 -0.00001 126 2PZ -0.00002 -0.00001 0.00000 0.00005 -0.00002 127 3S -0.00090 -0.00035 0.00003 0.00021 -0.00052 128 3PX -0.00045 -0.00013 0.00022 0.00031 0.00031 129 3PY 0.00014 -0.00009 -0.00017 0.00004 0.00019 130 3PZ -0.00014 -0.00010 0.00006 -0.00029 -0.00052 131 4XX 0.00001 0.00000 -0.00002 -0.00005 -0.00006 132 4YY 0.00002 0.00002 -0.00003 -0.00005 -0.00005 133 4ZZ 0.00002 0.00001 -0.00002 -0.00003 -0.00003 134 4XY 0.00000 -0.00001 0.00000 0.00003 -0.00001 135 4XZ -0.00002 -0.00002 0.00002 -0.00002 -0.00001 136 4YZ 0.00000 0.00000 -0.00001 0.00002 0.00005 137 17 H 1S 0.00006 0.00002 -0.00002 -0.00003 -0.00004 138 2S -0.00003 -0.00001 0.00007 -0.00036 -0.00027 139 18 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 140 2S -0.00010 0.00000 0.00011 0.00031 0.00036 141 19 O 1S 0.80158 0.58560 -0.00006 -0.00003 -0.00013 142 2S 0.02075 0.01525 0.00005 0.00011 -0.00031 143 2PX -0.00011 -0.00006 -0.00010 0.00010 0.00007 144 2PY -0.00072 -0.00050 0.00000 -0.00004 0.00003 145 2PZ -0.00025 -0.00018 -0.00005 0.00003 0.00003 146 3S 0.01078 0.00755 0.00094 -0.00008 0.00324 147 3PX -0.00028 -0.00013 0.00058 -0.00043 -0.00052 148 3PY -0.00026 -0.00030 0.00045 0.00072 -0.00023 149 3PZ -0.00021 -0.00005 0.00039 0.00015 -0.00001 150 4XX -0.00664 -0.00485 -0.00014 -0.00015 -0.00034 151 4YY -0.00667 -0.00492 -0.00049 -0.00001 -0.00036 152 4ZZ -0.00665 -0.00480 0.00005 -0.00005 -0.00033 153 4XY 0.00003 0.00001 0.00025 -0.00004 -0.00016 154 4XZ -0.00002 -0.00003 -0.00017 -0.00030 -0.00037 155 4YZ -0.00001 -0.00001 0.00004 -0.00014 -0.00014 156 20 O 1S -0.58559 0.80159 -0.00006 -0.00003 0.00013 157 2S -0.01513 0.02084 0.00005 0.00011 0.00031 158 2PX 0.00008 -0.00009 -0.00010 0.00010 -0.00007 159 2PY -0.00054 0.00069 0.00000 0.00004 0.00003 160 2PZ 0.00019 -0.00025 -0.00005 0.00003 -0.00003 161 3S -0.00797 0.01047 0.00094 -0.00008 -0.00324 162 3PX 0.00023 -0.00021 0.00058 -0.00043 0.00052 163 3PY -0.00015 0.00036 -0.00045 -0.00072 -0.00023 164 3PZ 0.00019 -0.00011 0.00039 0.00015 0.00001 165 4XX 0.00485 -0.00663 -0.00014 -0.00015 0.00034 166 4YY 0.00486 -0.00671 -0.00049 -0.00001 0.00036 167 4ZZ 0.00488 -0.00659 0.00005 -0.00005 0.00033 168 4XY 0.00002 -0.00002 -0.00025 0.00004 -0.00016 169 4XZ 0.00001 -0.00003 -0.00017 -0.00030 0.00037 170 4YZ 0.00000 0.00001 -0.00004 0.00014 -0.00014 171 21 C 1S 0.00000 0.00002 0.99303 0.00002 0.00000 172 2S 0.00006 0.00036 0.04865 -0.00053 0.00000 173 2PX -0.00004 -0.00027 -0.00093 -0.00014 0.00000 174 2PY 0.00043 -0.00007 0.00000 0.00000 -0.00006 175 2PZ -0.00001 -0.00007 -0.00040 -0.00001 0.00000 176 3S -0.00043 -0.00274 -0.01346 0.00269 0.00000 177 3PX 0.00013 0.00081 0.00021 -0.00125 0.00000 178 3PY -0.00117 0.00018 0.00000 0.00000 -0.00003 179 3PZ 0.00002 0.00011 0.00041 -0.00115 0.00000 180 4XX 0.00002 0.00015 -0.00874 0.00018 0.00000 181 4YY 0.00006 0.00037 -0.00875 0.00004 0.00000 182 4ZZ 0.00000 0.00003 -0.00880 -0.00009 0.00000 183 4XY -0.00019 0.00003 0.00000 0.00000 -0.00004 184 4XZ 0.00001 0.00006 0.00006 0.00017 0.00000 185 4YZ -0.00006 0.00001 0.00000 0.00000 -0.00006 186 22 H 1S 0.00003 0.00017 -0.00017 -0.00001 0.00000 187 2S 0.00002 0.00013 0.00248 0.00023 0.00000 188 23 H 1S 0.00002 0.00013 -0.00010 -0.00021 0.00000 189 2S 0.00000 -0.00002 0.00276 -0.00014 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18578 -10.18561 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00171 -0.00236 -0.01288 0.01348 0.70288 2 2S -0.00016 0.00012 -0.00038 0.00034 0.03495 3 2PX 0.00008 -0.00004 -0.00011 0.00008 0.00014 4 2PY 0.00005 0.00007 0.00012 -0.00009 0.00011 5 2PZ 0.00013 -0.00012 0.00003 0.00014 -0.00024 6 3S 0.00109 -0.00156 -0.00935 0.00316 -0.00786 7 3PX -0.00017 0.00023 0.00200 -0.00044 -0.00012 8 3PY 0.00018 -0.00036 0.00026 0.00049 -0.00067 9 3PZ -0.00066 0.00122 0.00506 -0.00142 0.00109 10 4XX -0.00012 0.00009 0.00014 -0.00020 -0.00671 11 4YY -0.00005 0.00011 0.00024 -0.00020 -0.00676 12 4ZZ -0.00008 0.00007 0.00019 -0.00023 -0.00660 13 4XY 0.00003 -0.00006 -0.00004 0.00002 0.00002 14 4XZ 0.00004 -0.00002 0.00002 -0.00003 0.00010 15 4YZ -0.00004 -0.00002 -0.00010 0.00016 0.00001 16 2 C 1S 0.10582 -0.13888 -0.68338 0.69901 -0.01374 17 2S 0.00516 -0.00699 -0.03566 0.03507 -0.00088 18 2PX 0.00010 0.00003 -0.00015 0.00004 0.00002 19 2PY 0.00007 0.00006 0.00052 -0.00013 0.00007 20 2PZ 0.00007 0.00009 0.00021 -0.00010 -0.00022 21 3S 0.00062 -0.00022 0.02282 -0.01303 0.00249 22 3PX -0.00119 0.00127 -0.00034 0.00004 0.00029 23 3PY -0.00040 0.00038 -0.00686 0.00124 -0.00054 24 3PZ -0.00131 0.00139 0.00023 0.00031 0.00130 25 4XX -0.00118 0.00141 0.00584 -0.00642 0.00008 26 4YY -0.00100 0.00131 0.00567 -0.00618 0.00013 27 4ZZ -0.00115 0.00134 0.00574 -0.00621 -0.00004 28 4XY -0.00003 0.00001 -0.00003 0.00003 0.00000 29 4XZ -0.00006 0.00009 -0.00001 0.00013 -0.00003 30 4YZ -0.00007 0.00007 0.00001 -0.00008 0.00003 31 3 C 1S 0.10548 0.13939 0.69341 0.68900 -0.01369 32 2S 0.00514 0.00702 0.03616 0.03455 -0.00088 33 2PX 0.00010 -0.00002 0.00015 0.00004 0.00002 34 2PY -0.00007 0.00006 0.00052 0.00012 -0.00007 35 2PZ 0.00007 -0.00009 -0.00021 -0.00010 -0.00022 36 3S 0.00061 0.00022 -0.02301 -0.01269 0.00248 37 3PX -0.00118 -0.00127 0.00034 0.00003 0.00029 38 3PY 0.00039 0.00038 -0.00688 -0.00114 0.00054 39 3PZ -0.00131 -0.00139 -0.00022 0.00032 0.00130 40 4XX -0.00118 -0.00141 -0.00593 -0.00633 0.00008 41 4YY -0.00100 -0.00131 -0.00576 -0.00609 0.00013 42 4ZZ -0.00114 -0.00134 -0.00583 -0.00613 -0.00004 43 4XY 0.00003 0.00001 -0.00004 -0.00003 0.00000 44 4XZ -0.00006 -0.00009 0.00001 0.00013 -0.00003 45 4YZ 0.00007 0.00007 0.00002 0.00008 -0.00003 46 4 C 1S 0.00170 0.00237 0.01307 0.01329 0.70069 47 2S -0.00016 -0.00012 0.00039 0.00034 0.03484 48 2PX 0.00008 0.00004 0.00011 0.00008 0.00014 49 2PY -0.00005 0.00007 0.00012 0.00009 -0.00011 50 2PZ 0.00013 0.00012 -0.00003 0.00014 -0.00024 51 3S 0.00108 0.00156 0.00940 0.00302 -0.00780 52 3PX -0.00017 -0.00023 -0.00200 -0.00041 -0.00012 53 3PY -0.00018 -0.00036 0.00025 -0.00049 0.00068 54 3PZ -0.00065 -0.00122 -0.00508 -0.00135 0.00108 55 4XX -0.00012 -0.00009 -0.00014 -0.00020 -0.00669 56 4YY -0.00005 -0.00011 -0.00025 -0.00019 -0.00674 57 4ZZ -0.00008 -0.00007 -0.00019 -0.00023 -0.00658 58 4XY -0.00003 -0.00006 -0.00004 -0.00002 -0.00002 59 4XZ 0.00004 0.00002 -0.00002 -0.00003 0.00010 60 4YZ 0.00004 -0.00001 -0.00010 -0.00016 -0.00001 61 5 H 1S -0.00001 0.00001 -0.00006 -0.00008 -0.00030 62 2S 0.00027 -0.00028 -0.00097 0.00024 0.00137 63 6 H 1S -0.00001 -0.00001 0.00006 -0.00008 -0.00030 64 2S 0.00027 0.00029 0.00097 0.00023 0.00137 65 7 C 1S 0.00001 0.00002 0.00020 -0.00011 0.00001 66 2S -0.00010 0.00020 0.00132 -0.00056 -0.00027 67 2PX 0.00011 -0.00009 -0.00015 0.00009 0.00007 68 2PY -0.00003 0.00006 0.00008 0.00005 0.00017 69 2PZ 0.00003 -0.00005 0.00009 -0.00003 -0.00020 70 3S 0.00045 -0.00068 -0.00974 0.00253 0.00077 71 3PX -0.00068 0.00175 0.00018 -0.00036 0.00033 72 3PY 0.00016 -0.00022 0.00200 0.00059 -0.00043 73 3PZ -0.00043 0.00128 -0.00396 0.00084 0.00098 74 4XX -0.00009 0.00011 0.00002 0.00000 -0.00015 75 4YY -0.00007 0.00013 0.00025 -0.00015 -0.00014 76 4ZZ -0.00012 0.00011 0.00021 -0.00011 -0.00016 77 4XY -0.00004 -0.00003 -0.00004 -0.00006 0.00003 78 4XZ -0.00006 0.00007 0.00000 -0.00006 0.00006 79 4YZ -0.00005 0.00004 0.00001 0.00008 0.00006 80 8 H 1S -0.00006 0.00024 0.00014 -0.00013 0.00007 81 2S -0.00057 0.00085 -0.00058 -0.00022 0.00049 82 9 C 1S 0.00001 -0.00002 -0.00020 -0.00011 0.00001 83 2S -0.00010 -0.00020 -0.00133 -0.00054 -0.00027 84 2PX 0.00011 0.00009 0.00015 0.00008 0.00007 85 2PY 0.00003 0.00006 0.00008 -0.00005 -0.00017 86 2PZ 0.00003 0.00005 -0.00009 -0.00003 -0.00020 87 3S 0.00045 0.00068 0.00977 0.00238 0.00075 88 3PX -0.00068 -0.00175 -0.00018 -0.00036 0.00033 89 3PY -0.00016 -0.00022 0.00200 -0.00062 0.00043 90 3PZ -0.00042 -0.00128 0.00398 0.00079 0.00097 91 4XX -0.00009 -0.00011 -0.00002 0.00000 -0.00015 92 4YY -0.00007 -0.00013 -0.00026 -0.00014 -0.00014 93 4ZZ -0.00012 -0.00011 -0.00021 -0.00011 -0.00015 94 4XY 0.00004 -0.00003 -0.00004 0.00006 -0.00003 95 4XZ -0.00006 -0.00007 0.00000 -0.00006 0.00006 96 4YZ 0.00005 0.00004 0.00001 -0.00008 -0.00006 97 10 H 1S -0.00006 -0.00024 -0.00014 -0.00013 0.00007 98 2S -0.00057 -0.00085 0.00058 -0.00023 0.00049 99 11 H 1S -0.00011 -0.00008 -0.00017 -0.00009 -0.00003 100 2S 0.00042 0.00025 0.00027 0.00165 0.00004 101 12 H 1S -0.00011 0.00008 0.00017 -0.00009 -0.00003 102 2S 0.00042 -0.00025 -0.00025 0.00166 0.00004 103 13 C 1S 0.69290 0.68956 -0.14022 -0.10489 0.00025 104 2S 0.03474 0.03525 -0.00776 -0.00548 -0.00017 105 2PX 0.00009 0.00014 0.00013 -0.00006 0.00002 106 2PY -0.00002 0.00006 0.00008 0.00001 -0.00004 107 2PZ 0.00002 0.00002 0.00002 -0.00008 -0.00010 108 3S -0.00977 -0.01800 0.01294 0.00449 0.00051 109 3PX -0.00048 -0.00111 0.00253 0.00105 0.00003 110 3PY 0.00104 -0.00254 0.00158 -0.00059 -0.00004 111 3PZ -0.00032 -0.00046 0.00313 0.00097 0.00041 112 4XX -0.00630 -0.00599 0.00112 0.00080 -0.00004 113 4YY -0.00660 -0.00592 0.00104 0.00086 -0.00005 114 4ZZ -0.00630 -0.00601 0.00104 0.00075 -0.00004 115 4XY 0.00006 -0.00001 0.00015 0.00012 -0.00001 116 4XZ -0.00008 -0.00010 -0.00004 -0.00007 0.00006 117 4YZ 0.00004 0.00000 0.00013 0.00011 -0.00001 118 14 H 1S -0.00009 0.00026 -0.00025 -0.00006 0.00001 119 2S 0.00193 0.00210 -0.00017 -0.00031 0.00023 120 15 H 1S -0.00012 0.00015 -0.00041 -0.00010 -0.00005 121 2S 0.00181 0.00186 -0.00030 -0.00017 -0.00015 122 16 C 1S 0.69527 -0.68722 0.13855 -0.10676 0.00025 123 2S 0.03486 -0.03514 0.00767 -0.00559 -0.00017 124 2PX 0.00009 -0.00014 -0.00013 -0.00006 0.00002 125 2PY 0.00002 0.00006 0.00008 -0.00001 0.00004 126 2PZ 0.00002 -0.00002 -0.00002 -0.00008 -0.00010 127 3S -0.00983 0.01797 -0.01287 0.00468 0.00051 128 3PX -0.00048 0.00111 -0.00251 0.00109 0.00003 129 3PY -0.00103 -0.00254 0.00159 0.00056 0.00004 130 3PZ -0.00032 0.00046 -0.00312 0.00102 0.00041 131 4XX -0.00632 0.00597 -0.00111 0.00082 -0.00004 132 4YY -0.00662 0.00589 -0.00103 0.00087 -0.00005 133 4ZZ -0.00632 0.00599 -0.00103 0.00077 -0.00004 134 4XY -0.00006 -0.00001 0.00014 -0.00013 0.00001 135 4XZ -0.00008 0.00010 0.00004 -0.00007 0.00006 136 4YZ -0.00004 0.00000 0.00013 -0.00011 0.00001 137 17 H 1S -0.00009 -0.00026 0.00025 -0.00007 0.00001 138 2S 0.00193 -0.00210 0.00016 -0.00031 0.00023 139 18 H 1S -0.00012 -0.00015 0.00041 -0.00011 -0.00005 140 2S 0.00182 -0.00185 0.00030 -0.00017 -0.00015 141 19 O 1S -0.00003 0.00005 -0.00011 0.00006 0.00004 142 2S -0.00013 0.00022 -0.00055 0.00027 0.00025 143 2PX 0.00001 -0.00001 0.00006 -0.00002 0.00003 144 2PY 0.00000 0.00000 0.00002 -0.00002 -0.00003 145 2PZ 0.00000 -0.00001 0.00001 -0.00004 -0.00003 146 3S 0.00063 -0.00137 0.00362 -0.00151 -0.00144 147 3PX -0.00021 0.00035 -0.00148 0.00048 0.00017 148 3PY -0.00011 0.00014 -0.00052 0.00018 0.00052 149 3PZ -0.00013 0.00028 -0.00047 0.00032 0.00010 150 4XX -0.00005 0.00010 -0.00011 0.00012 0.00009 151 4YY -0.00008 0.00015 -0.00031 0.00014 0.00000 152 4ZZ -0.00007 0.00012 -0.00034 0.00020 0.00014 153 4XY 0.00004 -0.00004 0.00008 -0.00002 -0.00003 154 4XZ 0.00003 -0.00003 0.00004 -0.00003 -0.00003 155 4YZ 0.00002 -0.00003 0.00002 0.00001 0.00000 156 20 O 1S -0.00003 -0.00005 0.00011 0.00006 0.00004 157 2S -0.00013 -0.00022 0.00055 0.00026 0.00025 158 2PX 0.00001 0.00001 -0.00006 -0.00002 0.00003 159 2PY 0.00000 0.00000 0.00002 0.00002 0.00003 160 2PZ 0.00000 0.00001 -0.00001 -0.00004 -0.00003 161 3S 0.00063 0.00137 -0.00364 -0.00146 -0.00144 162 3PX -0.00021 -0.00035 0.00149 0.00046 0.00017 163 3PY 0.00010 0.00014 -0.00052 -0.00018 -0.00052 164 3PZ -0.00012 -0.00028 0.00047 0.00032 0.00010 165 4XX -0.00005 -0.00010 0.00011 0.00011 0.00010 166 4YY -0.00008 -0.00015 0.00032 0.00013 0.00000 167 4ZZ -0.00007 -0.00012 0.00035 0.00020 0.00014 168 4XY -0.00004 -0.00004 0.00008 0.00002 0.00003 169 4XZ 0.00003 0.00003 -0.00004 -0.00003 -0.00003 170 4YZ -0.00002 -0.00003 0.00002 -0.00001 0.00000 171 21 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 172 2S -0.00007 0.00000 0.00000 0.00007 0.00000 173 2PX 0.00001 0.00000 0.00000 -0.00009 0.00003 174 2PY 0.00000 0.00002 -0.00007 0.00000 0.00000 175 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 176 3S 0.00025 0.00000 0.00000 -0.00014 0.00050 177 3PX -0.00007 0.00000 0.00000 0.00014 -0.00051 178 3PY 0.00000 -0.00010 0.00034 0.00000 0.00000 179 3PZ -0.00023 0.00000 0.00000 -0.00047 0.00033 180 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 181 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 182 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 183 4XY 0.00000 0.00002 0.00001 0.00000 0.00000 184 4XZ 0.00001 0.00000 0.00000 -0.00001 0.00004 185 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 187 2S 0.00010 0.00000 0.00000 0.00027 -0.00018 188 23 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 189 2S -0.00007 0.00000 0.00000 -0.00017 0.00030 11 12 13 14 15 O O O O O Eigenvalues -- -10.16869 -1.10211 -1.00641 -0.83058 -0.76110 1 1 C 1S -0.70099 -0.00162 -0.00106 -0.09183 0.02765 2 2S -0.03557 0.00206 0.00129 0.17564 -0.05301 3 2PX -0.00008 0.00094 0.00080 -0.01145 0.00581 4 2PY 0.00029 -0.00019 0.00087 -0.02828 0.01095 5 2PZ 0.00030 -0.00123 -0.00064 -0.05056 0.00537 6 3S 0.01692 0.00147 -0.00885 0.10903 -0.03559 7 3PX -0.00026 0.00115 0.00281 0.00083 0.00033 8 3PY -0.00339 -0.00003 0.00000 -0.00133 0.00319 9 3PZ -0.00281 0.00032 0.00615 -0.00076 0.00016 10 4XX 0.00644 0.00009 0.00023 -0.00844 0.00268 11 4YY 0.00606 -0.00009 -0.00037 0.00290 -0.00093 12 4ZZ 0.00630 -0.00015 -0.00023 0.00103 0.00080 13 4XY -0.00004 -0.00003 -0.00002 0.00046 -0.00030 14 4XZ -0.00013 -0.00023 -0.00022 0.00449 -0.00189 15 4YZ 0.00013 -0.00005 -0.00009 -0.00012 -0.00017 16 2 C 1S 0.01336 -0.00220 -0.00284 -0.09083 0.01507 17 2S 0.00064 0.00217 0.00019 0.16945 -0.02979 18 2PX -0.00005 0.00174 0.00174 -0.01464 0.01409 19 2PY -0.00005 -0.00066 0.00046 -0.04658 0.00964 20 2PZ 0.00010 -0.00015 -0.00041 0.01668 -0.01499 21 3S -0.00372 0.00810 0.02416 0.13002 -0.01716 22 3PX -0.00002 0.00079 0.00466 -0.00259 0.00143 23 3PY 0.00115 -0.00311 -0.01141 -0.01294 -0.00027 24 3PZ -0.00113 -0.00202 0.00117 -0.00367 -0.00732 25 4XX -0.00013 0.00013 0.00000 -0.00594 0.00188 26 4YY -0.00002 -0.00037 -0.00083 0.00085 -0.00037 27 4ZZ 0.00013 -0.00034 -0.00064 -0.00009 -0.00054 28 4XY -0.00005 -0.00009 -0.00020 0.00234 -0.00106 29 4XZ 0.00006 0.00003 0.00010 0.00570 -0.00205 30 4YZ -0.00007 0.00001 -0.00014 -0.00227 0.00148 31 3 C 1S -0.01340 -0.00220 0.00284 -0.09083 0.01507 32 2S -0.00064 0.00217 -0.00019 0.16945 -0.02978 33 2PX 0.00005 0.00174 -0.00174 -0.01464 0.01409 34 2PY -0.00005 0.00066 0.00046 0.04658 -0.00964 35 2PZ -0.00010 -0.00015 0.00041 0.01668 -0.01498 36 3S 0.00373 0.00810 -0.02416 0.13003 -0.01715 37 3PX 0.00002 0.00079 -0.00466 -0.00259 0.00143 38 3PY 0.00115 0.00311 -0.01141 0.01294 0.00027 39 3PZ 0.00114 -0.00202 -0.00117 -0.00367 -0.00733 40 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 41 4YY 0.00002 -0.00037 0.00083 0.00085 -0.00037 42 4ZZ -0.00013 -0.00034 0.00064 -0.00009 -0.00054 43 4XY -0.00005 0.00009 -0.00020 -0.00234 0.00106 44 4XZ -0.00006 0.00003 -0.00010 0.00570 -0.00205 45 4YZ -0.00007 -0.00001 -0.00014 0.00227 -0.00148 46 4 C 1S 0.70318 -0.00162 0.00106 -0.09183 0.02765 47 2S 0.03568 0.00206 -0.00129 0.17564 -0.05300 48 2PX 0.00008 0.00094 -0.00080 -0.01146 0.00581 49 2PY 0.00029 0.00019 0.00087 0.02828 -0.01095 50 2PZ -0.00030 -0.00123 0.00064 -0.05056 0.00537 51 3S -0.01695 0.00147 0.00885 0.10903 -0.03559 52 3PX 0.00026 0.00115 -0.00281 0.00083 0.00033 53 3PY -0.00339 0.00004 0.00000 0.00133 -0.00319 54 3PZ 0.00281 0.00032 -0.00615 -0.00076 0.00016 55 4XX -0.00646 0.00009 -0.00023 -0.00844 0.00268 56 4YY -0.00608 -0.00009 0.00037 0.00290 -0.00093 57 4ZZ -0.00632 -0.00015 0.00023 0.00103 0.00080 58 4XY -0.00004 0.00003 -0.00002 -0.00046 0.00030 59 4XZ 0.00013 -0.00023 0.00022 0.00449 -0.00189 60 4YZ 0.00013 0.00005 -0.00009 0.00012 0.00017 61 5 H 1S 0.00023 0.00030 0.00023 0.03509 -0.01342 62 2S -0.00081 0.00016 -0.00072 0.00135 -0.00330 63 6 H 1S -0.00023 0.00030 -0.00023 0.03509 -0.01342 64 2S 0.00081 0.00016 0.00072 0.00135 -0.00330 65 7 C 1S 0.00004 -0.05690 -0.04430 -0.02681 -0.12476 66 2S 0.00045 0.10584 0.08760 0.05410 0.25047 67 2PX -0.00004 0.06058 0.06093 -0.01601 0.01406 68 2PY 0.00002 -0.00989 0.04421 -0.01434 -0.07148 69 2PZ 0.00021 0.04381 0.04509 0.00181 -0.00957 70 3S -0.00396 0.03633 -0.01198 0.03269 0.17748 71 3PX -0.00118 -0.00348 -0.02172 -0.00392 -0.00558 72 3PY 0.00190 0.00075 0.01849 -0.00248 -0.00958 73 3PZ -0.00246 -0.00645 -0.03019 -0.00113 -0.00914 74 4XX 0.00010 0.00423 0.00654 -0.00158 -0.01042 75 4YY 0.00008 -0.00144 -0.00863 0.00141 0.00622 76 4ZZ 0.00014 -0.00125 0.00163 -0.00085 -0.00708 77 4XY -0.00005 0.00187 0.00594 -0.00004 -0.00010 78 4XZ -0.00010 0.01133 0.01154 -0.00049 0.00503 79 4YZ 0.00003 0.00107 0.00373 -0.00095 -0.00227 80 8 H 1S -0.00014 0.01240 0.01389 0.01617 0.06953 81 2S -0.00108 -0.00543 -0.01045 0.00404 0.01113 82 9 C 1S -0.00004 -0.05690 0.04430 -0.02681 -0.12477 83 2S -0.00045 0.10584 -0.08759 0.05410 0.25048 84 2PX 0.00004 0.06058 -0.06092 -0.01601 0.01406 85 2PY 0.00002 0.00989 0.04420 0.01434 0.07148 86 2PZ -0.00021 0.04381 -0.04509 0.00181 -0.00957 87 3S 0.00396 0.03633 0.01199 0.03269 0.17748 88 3PX 0.00118 -0.00348 0.02172 -0.00391 -0.00558 89 3PY 0.00190 -0.00075 0.01849 0.00248 0.00957 90 3PZ 0.00246 -0.00644 0.03019 -0.00113 -0.00913 91 4XX -0.00010 0.00423 -0.00654 -0.00158 -0.01042 92 4YY -0.00008 -0.00144 0.00863 0.00141 0.00622 93 4ZZ -0.00014 -0.00125 -0.00163 -0.00085 -0.00708 94 4XY -0.00005 -0.00187 0.00594 0.00004 0.00010 95 4XZ 0.00010 0.01133 -0.01154 -0.00049 0.00503 96 4YZ 0.00003 -0.00107 0.00373 0.00095 0.00227 97 10 H 1S 0.00014 0.01240 -0.01389 0.01617 0.06953 98 2S 0.00108 -0.00543 0.01045 0.00405 0.01114 99 11 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00501 100 2S 0.00002 0.00152 -0.00347 0.00571 -0.00021 101 12 H 1S 0.00000 0.00048 0.00093 0.03694 -0.00501 102 2S -0.00002 0.00152 0.00347 0.00571 -0.00021 103 13 C 1S 0.00018 -0.00040 0.00005 -0.08489 0.01846 104 2S -0.00018 0.00221 -0.00292 0.15996 -0.03376 105 2PX -0.00002 0.00109 -0.00093 0.02348 0.00351 106 2PY 0.00003 0.00046 0.00039 0.01948 -0.00479 107 2PZ -0.00008 0.00003 0.00028 0.02743 -0.00888 108 3S 0.00038 -0.00405 0.01573 0.11480 -0.03570 109 3PX -0.00003 -0.00390 0.00929 0.00065 -0.00035 110 3PY 0.00019 -0.00020 0.00659 0.00433 0.00036 111 3PZ 0.00036 -0.00046 0.00061 0.00303 -0.00252 112 4XX -0.00003 0.00020 -0.00022 -0.00109 0.00101 113 4YY -0.00004 0.00035 -0.00009 0.00166 -0.00025 114 4ZZ -0.00003 0.00026 -0.00026 -0.00009 0.00003 115 4XY 0.00000 0.00015 0.00021 -0.00007 0.00015 116 4XZ 0.00004 -0.00011 0.00020 0.00254 -0.00072 117 4YZ 0.00005 -0.00007 0.00013 -0.00008 -0.00002 118 14 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00617 119 2S 0.00024 0.00037 -0.00023 0.00578 0.00201 120 15 H 1S -0.00006 0.00003 0.00006 0.04104 -0.01213 121 2S -0.00009 -0.00141 0.00301 0.00393 -0.00229 122 16 C 1S -0.00018 -0.00040 -0.00005 -0.08489 0.01846 123 2S 0.00018 0.00221 0.00292 0.15996 -0.03377 124 2PX 0.00002 0.00109 0.00093 0.02348 0.00351 125 2PY 0.00003 -0.00046 0.00039 -0.01948 0.00479 126 2PZ 0.00008 0.00003 -0.00028 0.02743 -0.00889 127 3S -0.00038 -0.00405 -0.01573 0.11480 -0.03571 128 3PX 0.00003 -0.00390 -0.00929 0.00065 -0.00035 129 3PY 0.00019 0.00020 0.00659 -0.00433 -0.00036 130 3PZ -0.00036 -0.00046 -0.00061 0.00303 -0.00252 131 4XX 0.00003 0.00020 0.00022 -0.00109 0.00101 132 4YY 0.00004 0.00035 0.00009 0.00166 -0.00025 133 4ZZ 0.00003 0.00026 0.00026 -0.00009 0.00003 134 4XY 0.00000 -0.00015 0.00021 0.00007 -0.00015 135 4XZ -0.00004 -0.00011 -0.00020 0.00254 -0.00072 136 4YZ 0.00005 0.00007 0.00013 0.00008 0.00002 137 17 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 138 2S -0.00023 0.00037 0.00023 0.00578 0.00201 139 18 H 1S 0.00006 0.00003 -0.00006 0.04104 -0.01213 140 2S 0.00009 -0.00141 -0.00301 0.00393 -0.00229 141 19 O 1S -0.00001 -0.13070 -0.15225 0.00875 0.01667 142 2S -0.00011 0.28292 0.33390 -0.02046 -0.03953 143 2PX -0.00005 -0.01174 -0.01917 -0.02293 -0.13340 144 2PY -0.00003 -0.08697 -0.06064 0.00894 0.03455 145 2PZ 0.00005 -0.02446 -0.03106 -0.00870 -0.08495 146 3S 0.00135 0.28636 0.35992 -0.02062 -0.04326 147 3PX -0.00044 -0.00341 -0.01863 -0.01059 -0.06054 148 3PY -0.00022 -0.05251 -0.03654 0.00389 0.01469 149 3PZ -0.00039 -0.01120 -0.02087 -0.00436 -0.03986 150 4XX 0.00007 -0.00064 0.00054 0.00086 0.00156 151 4YY 0.00001 0.00724 -0.00070 -0.00121 -0.00572 152 4ZZ 0.00001 -0.00547 -0.00450 0.00058 0.00332 153 4XY 0.00003 -0.00207 0.00030 0.00232 0.01288 154 4XZ 0.00001 0.00670 0.00750 0.00055 0.00489 155 4YZ 0.00004 0.00203 0.00255 0.00086 0.00752 156 20 O 1S 0.00001 -0.13070 0.15224 0.00875 0.01667 157 2S 0.00011 0.28293 -0.33389 -0.02046 -0.03953 158 2PX 0.00005 -0.01174 0.01916 -0.02294 -0.13341 159 2PY -0.00003 0.08698 -0.06064 -0.00894 -0.03455 160 2PZ -0.00005 -0.02446 0.03106 -0.00870 -0.08495 161 3S -0.00135 0.28637 -0.35991 -0.02062 -0.04326 162 3PX 0.00044 -0.00341 0.01863 -0.01058 -0.06054 163 3PY -0.00022 0.05252 -0.03653 -0.00389 -0.01469 164 3PZ 0.00039 -0.01120 0.02087 -0.00436 -0.03986 165 4XX -0.00007 -0.00064 -0.00054 0.00086 0.00156 166 4YY -0.00001 0.00724 0.00070 -0.00121 -0.00572 167 4ZZ -0.00001 -0.00547 0.00450 0.00058 0.00332 168 4XY 0.00003 0.00207 0.00030 -0.00232 -0.01288 169 4XZ -0.00001 0.00670 -0.00750 0.00055 0.00489 170 4YZ 0.00004 -0.00203 0.00255 -0.00086 -0.00752 171 21 C 1S 0.00000 -0.08378 0.00000 0.01970 0.11339 172 2S 0.00000 0.16131 0.00000 -0.04075 -0.23762 173 2PX 0.00000 -0.07989 0.00000 0.00552 -0.00194 174 2PY -0.00001 0.00000 0.12924 0.00000 0.00000 175 2PZ 0.00000 -0.03331 0.00000 0.00182 -0.01808 176 3S 0.00000 0.02817 0.00000 -0.02453 -0.16899 177 3PX 0.00000 0.01394 0.00000 -0.00166 -0.01305 178 3PY 0.00014 0.00000 0.00704 0.00000 0.00000 179 3PZ 0.00000 0.00248 0.00000 0.00090 -0.00530 180 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 181 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 182 4ZZ 0.00000 -0.00722 0.00000 0.00095 0.00332 183 4XY -0.00001 0.00000 -0.02357 0.00000 0.00000 184 4XZ 0.00000 0.00742 0.00000 -0.00020 0.00307 185 4YZ 0.00003 0.00000 -0.00928 0.00000 0.00000 186 22 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07837 187 2S 0.00000 0.00199 0.00000 -0.00171 -0.01785 188 23 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06750 189 2S 0.00000 -0.00134 0.00000 -0.00091 -0.01200 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60785 -0.60673 1 1 C 1S 0.10624 -0.06310 0.00400 -0.04836 -0.06561 2 2S -0.20695 0.12603 -0.00653 0.09826 0.13433 3 2PX -0.01158 -0.01280 0.00191 -0.00083 0.01189 4 2PY 0.05074 0.07623 0.00059 0.06200 0.08476 5 2PZ 0.00457 -0.05688 -0.00505 -0.01323 -0.01743 6 3S -0.14962 0.07285 -0.00993 0.07463 0.09839 7 3PX -0.00587 0.00393 0.00029 0.00549 0.00892 8 3PY 0.00539 0.02419 0.00029 0.01613 0.03217 9 3PZ -0.00675 0.00813 0.00102 0.01107 0.01449 10 4XX 0.00960 -0.00421 0.00026 -0.00310 -0.00408 11 4YY -0.00497 -0.00622 0.00001 -0.00451 -0.00599 12 4ZZ 0.00307 0.00540 0.00065 0.00166 0.00266 13 4XY -0.00112 -0.00055 -0.00029 0.00065 0.00208 14 4XZ -0.00307 0.00449 -0.00056 0.00306 0.00270 15 4YZ -0.00148 -0.00491 0.00012 -0.00013 -0.00035 16 2 C 1S 0.01111 -0.12383 -0.00143 -0.02138 -0.01667 17 2S -0.02087 0.24000 0.00195 0.04440 0.03373 18 2PX -0.05209 -0.01855 0.00996 0.01744 0.08371 19 2PY 0.01250 -0.00644 -0.00240 -0.00629 -0.00169 20 2PZ -0.09373 0.01781 -0.00586 0.08373 0.12421 21 3S -0.02238 0.20502 0.00934 0.04138 0.03934 22 3PX -0.00829 -0.00453 0.00047 0.00299 0.02182 23 3PY 0.00893 -0.00114 -0.00471 0.00029 -0.00144 24 3PZ -0.01618 -0.00331 -0.00342 0.02816 0.02692 25 4XX 0.00488 -0.00730 -0.00114 -0.00467 -0.00497 26 4YY -0.00068 -0.00066 0.00007 0.00062 0.00077 27 4ZZ -0.00140 -0.00084 -0.00008 0.00135 0.00141 28 4XY 0.00412 0.00285 -0.00111 -0.00090 -0.00273 29 4XZ 0.00257 0.00642 -0.00095 0.00057 -0.00398 30 4YZ 0.00795 -0.00210 0.00051 -0.00334 -0.00518 31 3 C 1S 0.01111 0.12383 -0.00143 0.02137 0.01668 32 2S -0.02088 -0.24000 0.00195 -0.04438 -0.03374 33 2PX -0.05209 0.01856 0.00996 -0.01744 -0.08372 34 2PY -0.01251 -0.00644 0.00241 -0.00630 -0.00170 35 2PZ -0.09373 -0.01781 -0.00586 -0.08373 -0.12421 36 3S -0.02239 -0.20502 0.00935 -0.04136 -0.03934 37 3PX -0.00829 0.00453 0.00047 -0.00299 -0.02182 38 3PY -0.00893 -0.00113 0.00471 0.00029 -0.00144 39 3PZ -0.01618 0.00331 -0.00342 -0.02816 -0.02692 40 4XX 0.00488 0.00729 -0.00114 0.00467 0.00497 41 4YY -0.00068 0.00066 0.00007 -0.00062 -0.00077 42 4ZZ -0.00140 0.00084 -0.00008 -0.00135 -0.00141 43 4XY -0.00412 0.00285 0.00111 -0.00090 -0.00273 44 4XZ 0.00257 -0.00642 -0.00095 -0.00057 0.00398 45 4YZ -0.00795 -0.00210 -0.00051 -0.00334 -0.00518 46 4 C 1S 0.10624 0.06309 0.00400 0.04836 0.06561 47 2S -0.20695 -0.12602 -0.00652 -0.09828 -0.13433 48 2PX -0.01158 0.01280 0.00191 0.00082 -0.01190 49 2PY -0.05074 0.07623 -0.00060 0.06199 0.08476 50 2PZ 0.00458 0.05687 -0.00505 0.01322 0.01743 51 3S -0.14962 -0.07284 -0.00993 -0.07464 -0.09839 52 3PX -0.00587 -0.00393 0.00029 -0.00549 -0.00892 53 3PY -0.00539 0.02419 -0.00029 0.01613 0.03216 54 3PZ -0.00675 -0.00813 0.00103 -0.01107 -0.01449 55 4XX 0.00960 0.00421 0.00026 0.00310 0.00408 56 4YY -0.00497 0.00622 0.00001 0.00451 0.00599 57 4ZZ 0.00307 -0.00540 0.00065 -0.00166 -0.00266 58 4XY 0.00112 -0.00055 0.00029 0.00065 0.00208 59 4XZ -0.00307 -0.00449 -0.00056 -0.00306 -0.00270 60 4YZ 0.00148 -0.00491 -0.00012 -0.00013 -0.00035 61 5 H 1S -0.06029 0.03698 -0.00391 0.04618 0.06530 62 2S -0.01165 0.00209 -0.00250 0.01540 0.02002 63 6 H 1S -0.06029 -0.03698 -0.00390 -0.04619 -0.06530 64 2S -0.01165 -0.00208 -0.00250 -0.01540 -0.02002 65 7 C 1S 0.00173 -0.01291 -0.06744 0.08895 -0.04432 66 2S -0.00363 0.02432 0.13626 -0.18382 0.08991 67 2PX -0.00412 -0.01292 -0.08224 -0.01908 0.01219 68 2PY 0.00113 0.01631 -0.14874 -0.12298 0.06083 69 2PZ -0.00958 0.00039 -0.09434 0.01957 0.00110 70 3S -0.00388 0.03256 0.12087 -0.17265 0.10054 71 3PX -0.00273 -0.00415 -0.02112 0.01073 0.00594 72 3PY -0.00055 -0.00231 -0.02742 -0.02811 0.01110 73 3PZ -0.00227 0.00541 -0.02662 0.01790 0.00355 74 4XX 0.00085 -0.00050 -0.01165 0.00359 -0.00221 75 4YY -0.00005 -0.00106 0.00676 0.00673 -0.00334 76 4ZZ -0.00072 -0.00001 -0.00618 -0.00038 0.00093 77 4XY -0.00031 -0.00114 -0.00834 -0.00292 0.00201 78 4XZ 0.00024 -0.00031 -0.00654 -0.00770 0.00377 79 4YZ -0.00009 -0.00037 -0.00738 0.00401 -0.00077 80 8 H 1S 0.00349 0.01587 0.05608 -0.11176 0.04878 81 2S 0.00438 0.00904 0.01647 -0.04742 0.01814 82 9 C 1S 0.00173 0.01291 -0.06744 -0.08895 0.04432 83 2S -0.00363 -0.02431 0.13626 0.18382 -0.08990 84 2PX -0.00412 0.01292 -0.08224 0.01908 -0.01219 85 2PY -0.00113 0.01632 0.14874 -0.12298 0.06084 86 2PZ -0.00958 -0.00039 -0.09434 -0.01957 -0.00110 87 3S -0.00389 -0.03256 0.12087 0.17265 -0.10054 88 3PX -0.00273 0.00415 -0.02112 -0.01073 -0.00593 89 3PY 0.00055 -0.00231 0.02742 -0.02811 0.01110 90 3PZ -0.00227 -0.00542 -0.02662 -0.01790 -0.00356 91 4XX 0.00085 0.00050 -0.01165 -0.00359 0.00221 92 4YY -0.00005 0.00106 0.00676 -0.00673 0.00334 93 4ZZ -0.00072 0.00001 -0.00618 0.00038 -0.00093 94 4XY 0.00031 -0.00114 0.00834 -0.00292 0.00201 95 4XZ 0.00024 0.00031 -0.00654 0.00770 -0.00377 96 4YZ 0.00009 -0.00037 0.00738 0.00401 -0.00077 97 10 H 1S 0.00349 -0.01587 0.05608 0.11176 -0.04877 98 2S 0.00438 -0.00904 0.01647 0.04742 -0.01814 99 11 H 1S -0.00368 -0.07761 0.00070 -0.01217 -0.01482 100 2S -0.00328 -0.01834 -0.00130 -0.00152 -0.00673 101 12 H 1S -0.00368 0.07762 0.00070 0.01218 0.01482 102 2S -0.00328 0.01834 -0.00130 0.00152 0.00673 103 13 C 1S -0.11054 0.06889 0.01226 -0.03309 -0.09313 104 2S 0.21311 -0.13379 -0.02383 0.06830 0.18831 105 2PX -0.01341 -0.02895 0.01597 -0.00112 -0.01619 106 2PY 0.03718 0.06702 -0.00485 -0.03382 -0.09448 107 2PZ -0.01863 -0.03268 -0.00231 -0.01848 -0.01667 108 3S 0.18637 -0.10958 -0.02841 0.05824 0.18518 109 3PX -0.00303 -0.00106 0.00732 -0.00234 -0.00800 110 3PY 0.00610 0.01619 0.00043 -0.01284 -0.03924 111 3PZ -0.00681 -0.00447 -0.00204 -0.00837 -0.01286 112 4XX -0.00239 -0.00240 0.00072 0.00101 0.00229 113 4YY 0.00372 0.00769 -0.00059 -0.00372 -0.01033 114 4ZZ -0.00301 -0.00347 0.00014 0.00022 0.00214 115 4XY 0.00093 0.00241 -0.00011 0.00031 0.00186 116 4XZ -0.00305 -0.00336 0.00019 -0.00215 -0.00334 117 4YZ 0.00125 0.00256 -0.00009 0.00180 0.00215 118 14 H 1S 0.07127 -0.04460 -0.00442 0.04037 0.09041 119 2S 0.01671 -0.01068 0.00244 0.01905 0.03190 120 15 H 1S 0.06861 -0.04510 -0.01416 0.02864 0.08878 121 2S 0.01635 -0.00859 -0.00340 0.01099 0.03295 122 16 C 1S -0.11055 -0.06889 0.01225 0.03309 0.09312 123 2S 0.21312 0.13378 -0.02382 -0.06830 -0.18831 124 2PX -0.01340 0.02894 0.01597 0.00112 0.01619 125 2PY -0.03718 0.06702 0.00486 -0.03382 -0.09448 126 2PZ -0.01862 0.03268 -0.00232 0.01848 0.01668 127 3S 0.18638 0.10957 -0.02840 -0.05825 -0.18518 128 3PX -0.00303 0.00106 0.00733 0.00234 0.00800 129 3PY -0.00610 0.01619 -0.00043 -0.01283 -0.03924 130 3PZ -0.00680 0.00447 -0.00204 0.00838 0.01287 131 4XX -0.00239 0.00240 0.00072 -0.00101 -0.00229 132 4YY 0.00371 -0.00769 -0.00059 0.00372 0.01033 133 4ZZ -0.00301 0.00347 0.00014 -0.00022 -0.00214 134 4XY -0.00093 0.00241 0.00011 0.00031 0.00186 135 4XZ -0.00305 0.00336 0.00019 0.00215 0.00334 136 4YZ -0.00125 0.00256 0.00009 0.00180 0.00215 137 17 H 1S 0.07127 0.04460 -0.00441 -0.04037 -0.09041 138 2S 0.01671 0.01068 0.00244 -0.01905 -0.03190 139 18 H 1S 0.06861 0.04510 -0.01416 -0.02864 -0.08878 140 2S 0.01635 0.00859 -0.00340 -0.01099 -0.03295 141 19 O 1S -0.00040 0.00740 0.06976 -0.02374 0.01371 142 2S 0.00086 -0.01624 -0.16285 0.05610 -0.03033 143 2PX 0.01218 -0.01778 0.10119 0.18337 -0.10590 144 2PY -0.00340 0.00707 -0.08531 -0.05093 0.02918 145 2PZ 0.00148 -0.00514 0.04051 0.12350 -0.06107 146 3S 0.00176 -0.02376 -0.21438 0.06891 -0.04976 147 3PX 0.00513 -0.00621 0.04071 0.08586 -0.04664 148 3PY -0.00171 0.00426 -0.04646 -0.02033 0.01396 149 3PZ -0.00045 -0.00187 0.01497 0.06025 -0.02590 150 4XX -0.00036 0.00108 0.00066 -0.00274 0.00226 151 4YY 0.00037 -0.00002 0.00964 0.00355 -0.00123 152 4ZZ -0.00016 0.00088 -0.00013 -0.00464 0.00289 153 4XY -0.00100 0.00056 -0.00458 -0.00760 0.00411 154 4XZ 0.00018 0.00028 0.00005 -0.00576 0.00240 155 4YZ -0.00006 0.00012 0.00057 -0.00443 0.00203 156 20 O 1S -0.00040 -0.00740 0.06977 0.02374 -0.01371 157 2S 0.00086 0.01624 -0.16285 -0.05610 0.03033 158 2PX 0.01219 0.01777 0.10119 -0.18337 0.10591 159 2PY 0.00340 0.00706 0.08531 -0.05093 0.02918 160 2PZ 0.00148 0.00514 0.04051 -0.12350 0.06107 161 3S 0.00176 0.02376 -0.21439 -0.06891 0.04975 162 3PX 0.00513 0.00621 0.04072 -0.08586 0.04664 163 3PY 0.00171 0.00426 0.04646 -0.02033 0.01396 164 3PZ -0.00045 0.00186 0.01497 -0.06025 0.02589 165 4XX -0.00036 -0.00108 0.00066 0.00275 -0.00226 166 4YY 0.00037 0.00002 0.00964 -0.00355 0.00123 167 4ZZ -0.00016 -0.00088 -0.00013 0.00464 -0.00289 168 4XY 0.00100 0.00056 0.00458 -0.00760 0.00411 169 4XZ 0.00018 -0.00028 0.00005 0.00575 -0.00240 170 4YZ 0.00006 0.00012 -0.00057 -0.00443 0.00203 171 21 C 1S -0.00900 0.00000 -0.12549 0.00000 0.00000 172 2S 0.01867 0.00000 0.26473 0.00000 0.00000 173 2PX 0.00190 0.00000 0.08971 0.00000 0.00000 174 2PY 0.00000 -0.02033 0.00000 0.19123 -0.10754 175 2PZ -0.00114 0.00000 0.02934 0.00000 0.00000 176 3S 0.01546 0.00000 0.24902 0.00001 0.00000 177 3PX 0.00179 0.00000 0.03687 0.00000 0.00000 178 3PY 0.00000 -0.00352 0.00000 0.05010 -0.02909 179 3PZ -0.00125 0.00000 0.00546 0.00000 0.00000 180 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 181 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 182 4ZZ -0.00018 0.00000 0.00618 0.00000 0.00000 183 4XY 0.00000 0.00231 0.00000 -0.01686 0.00932 184 4XZ 0.00006 0.00000 -0.00309 0.00000 0.00000 185 4YZ 0.00000 0.00097 0.00000 -0.00347 0.00232 186 22 H 1S 0.00562 0.00000 0.11789 0.00000 0.00000 187 2S 0.00069 0.00000 0.03918 0.00000 0.00000 188 23 H 1S 0.00636 0.00000 0.11736 0.00000 0.00000 189 2S 0.00074 0.00000 0.03372 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58530 -0.52881 -0.50067 -0.49469 -0.47084 1 1 C 1S 0.05845 -0.01090 0.00234 -0.00660 -0.06596 2 2S -0.11866 0.02268 -0.00931 0.01362 0.13624 3 2PX -0.03663 0.02237 0.04200 0.07602 0.03238 4 2PY 0.13439 -0.00829 0.00193 0.11884 0.07721 5 2PZ -0.11861 0.05576 0.02881 0.16565 0.08020 6 3S -0.10308 0.02504 0.00652 0.02696 0.13748 7 3PX -0.01230 0.00563 0.02137 0.02400 0.01681 8 3PY 0.03056 -0.00052 -0.00085 0.03599 0.02319 9 3PZ -0.03833 0.01641 0.00093 0.05351 0.04403 10 4XX 0.00366 -0.00084 0.00057 0.00135 -0.00217 11 4YY -0.00402 0.00138 -0.00071 0.00242 -0.00884 12 4ZZ 0.00655 -0.00074 0.00003 0.00106 0.00152 13 4XY -0.00205 0.00071 -0.00017 0.00033 0.00428 14 4XZ -0.00165 0.00084 -0.00177 0.00235 0.00539 15 4YZ -0.00623 0.00036 0.00056 -0.00215 0.01050 16 2 C 1S -0.10190 0.01259 0.00927 -0.00853 0.05985 17 2S 0.20613 -0.02572 -0.01813 0.01988 -0.12489 18 2PX 0.00489 0.01668 0.03680 0.02440 -0.01420 19 2PY 0.07417 0.02936 0.01538 0.20213 -0.11461 20 2PZ -0.00523 -0.01583 -0.02812 -0.00684 0.07698 21 3S 0.19023 -0.02821 -0.02649 0.02166 -0.13287 22 3PX 0.00390 0.01203 0.01483 0.00523 -0.00404 23 3PY 0.03168 0.01517 0.01012 0.08184 -0.04979 24 3PZ -0.01128 -0.00517 -0.00890 0.00107 0.04248 25 4XX -0.00824 0.00105 0.00208 -0.00014 0.00658 26 4YY 0.00398 -0.00035 0.00028 0.00246 -0.01070 27 4ZZ -0.00814 0.00227 0.00144 0.00172 0.01136 28 4XY 0.00177 -0.00014 -0.00179 -0.00068 -0.00208 29 4XZ -0.00022 -0.00117 -0.00056 0.00175 0.00372 30 4YZ 0.00058 0.00018 0.00157 0.00197 -0.00131 31 3 C 1S -0.10191 0.01258 0.00927 -0.00854 -0.05985 32 2S 0.20613 -0.02571 -0.01813 0.01989 0.12489 33 2PX 0.00490 0.01668 0.03680 0.02441 0.01422 34 2PY -0.07417 -0.02936 -0.01539 -0.20213 -0.11460 35 2PZ -0.00522 -0.01583 -0.02814 -0.00684 -0.07699 36 3S 0.19023 -0.02821 -0.02649 0.02167 0.13288 37 3PX 0.00391 0.01203 0.01483 0.00524 0.00405 38 3PY -0.03168 -0.01518 -0.01013 -0.08185 -0.04978 39 3PZ -0.01128 -0.00518 -0.00890 0.00107 -0.04248 40 4XX -0.00824 0.00105 0.00208 -0.00014 -0.00658 41 4YY 0.00398 -0.00035 0.00028 0.00246 0.01070 42 4ZZ -0.00814 0.00227 0.00144 0.00172 -0.01136 43 4XY -0.00177 0.00014 0.00179 0.00068 -0.00208 44 4XZ -0.00022 -0.00117 -0.00056 0.00175 -0.00372 45 4YZ -0.00058 -0.00018 -0.00157 -0.00197 -0.00131 46 4 C 1S 0.05845 -0.01090 0.00235 -0.00660 0.06596 47 2S -0.11866 0.02267 -0.00933 0.01362 -0.13624 48 2PX -0.03662 0.02237 0.04200 0.07603 -0.03238 49 2PY -0.13440 0.00830 -0.00191 -0.11882 0.07722 50 2PZ -0.11860 0.05576 0.02881 0.16566 -0.08021 51 3S -0.10308 0.02504 0.00651 0.02696 -0.13748 52 3PX -0.01229 0.00563 0.02137 0.02401 -0.01681 53 3PY -0.03056 0.00052 0.00086 -0.03598 0.02319 54 3PZ -0.03833 0.01641 0.00092 0.05351 -0.04403 55 4XX 0.00366 -0.00084 0.00057 0.00135 0.00217 56 4YY -0.00402 0.00138 -0.00071 0.00242 0.00884 57 4ZZ 0.00655 -0.00074 0.00002 0.00106 -0.00152 58 4XY 0.00205 -0.00071 0.00017 -0.00033 0.00428 59 4XZ -0.00165 0.00084 -0.00177 0.00235 -0.00539 60 4YZ 0.00623 -0.00036 -0.00056 0.00215 0.01050 61 5 H 1S -0.06479 0.03302 0.01758 0.11823 0.12807 62 2S -0.02650 0.02056 0.01787 0.07923 0.07733 63 6 H 1S -0.06479 0.03301 0.01757 0.11823 -0.12807 64 2S -0.02650 0.02055 0.01787 0.07923 -0.07733 65 7 C 1S 0.00880 -0.00678 -0.00868 0.00119 0.00727 66 2S -0.01985 0.01227 0.01790 -0.00210 -0.01258 67 2PX -0.02565 -0.05775 -0.10459 0.03585 0.06159 68 2PY 0.04659 0.21741 -0.01417 -0.03979 -0.01433 69 2PZ 0.00648 -0.13484 0.04027 0.00950 0.05798 70 3S -0.00692 0.03720 0.02141 -0.00965 -0.02719 71 3PX -0.00770 -0.01421 -0.04870 0.01173 0.01897 72 3PY 0.01443 0.06584 -0.00111 -0.01151 -0.00623 73 3PZ 0.00647 -0.04206 0.02315 0.00169 0.00902 74 4XX 0.00114 -0.00186 -0.01051 0.00125 0.00207 75 4YY -0.00083 0.00059 0.00177 0.00001 -0.00143 76 4ZZ 0.00139 0.00465 0.00661 -0.00176 -0.00026 77 4XY 0.00099 0.00713 0.00139 -0.00409 0.00666 78 4XZ -0.00105 -0.00106 0.00002 0.00121 0.00358 79 4YZ 0.00077 0.00165 -0.00161 0.00003 0.00633 80 8 H 1S 0.00734 0.12868 0.00787 -0.01868 -0.05129 81 2S 0.00510 0.08379 0.00861 -0.00894 -0.04020 82 9 C 1S 0.00881 -0.00678 -0.00868 0.00119 -0.00727 83 2S -0.01986 0.01227 0.01790 -0.00210 0.01256 84 2PX -0.02566 -0.05775 -0.10459 0.03585 -0.06160 85 2PY -0.04658 -0.21741 0.01417 0.03979 -0.01432 86 2PZ 0.00648 -0.13484 0.04027 0.00950 -0.05797 87 3S -0.00693 0.03720 0.02141 -0.00965 0.02717 88 3PX -0.00770 -0.01421 -0.04870 0.01173 -0.01897 89 3PY -0.01443 -0.06584 0.00111 0.01151 -0.00622 90 3PZ 0.00647 -0.04206 0.02315 0.00169 -0.00902 91 4XX 0.00114 -0.00186 -0.01051 0.00125 -0.00206 92 4YY -0.00083 0.00059 0.00177 0.00001 0.00143 93 4ZZ 0.00139 0.00465 0.00661 -0.00176 0.00026 94 4XY -0.00099 -0.00713 -0.00139 0.00409 0.00666 95 4XZ -0.00105 -0.00106 0.00002 0.00121 -0.00358 96 4YZ -0.00077 -0.00165 0.00161 -0.00003 0.00633 97 10 H 1S 0.00733 0.12868 0.00787 -0.01869 0.05128 98 2S 0.00509 0.08379 0.00861 -0.00894 0.04019 99 11 H 1S 0.11594 0.00614 0.00310 0.11394 0.12717 100 2S 0.05033 0.00713 0.00336 0.06907 0.07882 101 12 H 1S 0.11594 0.00613 0.00309 0.11394 -0.12717 102 2S 0.05033 0.00713 0.00335 0.06907 -0.07882 103 13 C 1S 0.04070 -0.00054 -0.00047 -0.00253 0.04567 104 2S -0.08231 0.00016 0.00106 0.00467 -0.09251 105 2PX 0.08042 0.00160 0.02410 -0.06516 0.09595 106 2PY -0.07814 -0.00869 -0.00008 -0.09213 0.03430 107 2PZ 0.07204 -0.04597 -0.05561 -0.09587 0.05649 108 3S -0.08200 0.00457 0.00442 0.01096 -0.12495 109 3PX 0.02709 0.00453 0.01235 -0.02439 0.04124 110 3PY -0.02369 -0.00287 -0.00032 -0.03840 0.01621 111 3PZ 0.02413 -0.01339 -0.02144 -0.03972 0.02434 112 4XX 0.00245 -0.00037 -0.00037 0.00148 -0.00162 113 4YY -0.00226 -0.00009 0.00018 0.00060 0.00757 114 4ZZ 0.00247 0.00067 0.00084 0.00205 -0.00237 115 4XY -0.00348 -0.00053 -0.00023 -0.00268 -0.00844 116 4XZ 0.00679 -0.00193 -0.00111 -0.00537 0.00582 117 4YZ -0.00369 0.00018 0.00057 -0.00210 -0.00562 118 14 H 1S -0.04273 0.02717 0.03108 0.06038 -0.06685 119 2S -0.02046 0.02294 0.02214 0.03980 -0.03627 120 15 H 1S -0.04628 -0.00435 -0.01778 0.03887 -0.08956 121 2S -0.02120 -0.00130 -0.01085 0.02752 -0.05312 122 16 C 1S 0.04070 -0.00055 -0.00047 -0.00253 -0.04567 123 2S -0.08231 0.00016 0.00106 0.00467 0.09251 124 2PX 0.08042 0.00160 0.02410 -0.06517 -0.09588 125 2PY 0.07815 0.00868 0.00007 0.09211 0.03428 126 2PZ 0.07204 -0.04597 -0.05561 -0.09587 -0.05655 127 3S -0.08200 0.00458 0.00442 0.01096 0.12495 128 3PX 0.02709 0.00453 0.01235 -0.02439 -0.04121 129 3PY 0.02369 0.00287 0.00032 0.03840 0.01621 130 3PZ 0.02413 -0.01339 -0.02144 -0.03972 -0.02437 131 4XX 0.00245 -0.00037 -0.00036 0.00149 0.00161 132 4YY -0.00226 -0.00009 0.00018 0.00060 -0.00757 133 4ZZ 0.00247 0.00067 0.00084 0.00205 0.00237 134 4XY 0.00348 0.00053 0.00023 0.00268 -0.00844 135 4XZ 0.00679 -0.00193 -0.00111 -0.00538 -0.00582 136 4YZ 0.00369 -0.00018 -0.00057 0.00210 -0.00562 137 17 H 1S -0.04273 0.02717 0.03108 0.06038 0.06688 138 2S -0.02045 0.02295 0.02214 0.03979 0.03629 139 18 H 1S -0.04629 -0.00435 -0.01778 0.03888 0.08953 140 2S -0.02120 -0.00130 -0.01085 0.02752 0.05309 141 19 O 1S -0.00714 -0.03099 -0.01200 0.01354 -0.00506 142 2S 0.01759 0.07135 0.02254 -0.03028 0.01042 143 2PX 0.00051 0.02473 -0.07658 0.00503 -0.09814 144 2PY 0.02708 0.20563 0.02753 -0.06724 0.01473 145 2PZ 0.01270 -0.03921 0.21114 -0.02042 -0.04801 146 3S 0.01960 0.10268 0.05785 -0.05109 0.02822 147 3PX 0.00318 0.02180 -0.04780 -0.00031 -0.05226 148 3PY 0.01600 0.12145 0.01153 -0.03848 0.00480 149 3PZ 0.00771 -0.01900 0.11915 -0.01127 -0.02385 150 4XX 0.00185 0.00787 0.00095 -0.00238 -0.00100 151 4YY -0.00183 -0.01783 -0.00217 0.00564 -0.00138 152 4ZZ 0.00042 0.00773 -0.00410 -0.00093 -0.00028 153 4XY -0.00171 -0.00926 0.00574 0.00109 0.00433 154 4XZ 0.00006 0.00312 0.00350 -0.00141 0.00055 155 4YZ -0.00200 -0.00441 -0.01509 0.00349 0.00187 156 20 O 1S -0.00714 -0.03099 -0.01200 0.01354 0.00506 157 2S 0.01760 0.07135 0.02254 -0.03028 -0.01043 158 2PX 0.00053 0.02473 -0.07658 0.00503 0.09817 159 2PY -0.02708 -0.20563 -0.02753 0.06724 0.01475 160 2PZ 0.01272 -0.03921 0.21115 -0.02042 0.04800 161 3S 0.01961 0.10268 0.05785 -0.05109 -0.02823 162 3PX 0.00319 0.02181 -0.04780 -0.00031 0.05227 163 3PY -0.01600 -0.12146 -0.01153 0.03848 0.00481 164 3PZ 0.00771 -0.01900 0.11915 -0.01126 0.02384 165 4XX 0.00184 0.00787 0.00095 -0.00238 0.00099 166 4YY -0.00183 -0.01783 -0.00217 0.00564 0.00138 167 4ZZ 0.00042 0.00773 -0.00410 -0.00093 0.00028 168 4XY 0.00171 0.00926 -0.00574 -0.00109 0.00433 169 4XZ 0.00005 0.00312 0.00350 -0.00141 -0.00055 170 4YZ 0.00200 0.00441 0.01510 -0.00349 0.00187 171 21 C 1S -0.00169 -0.00800 0.00615 -0.00293 0.00000 172 2S 0.00472 0.01626 -0.01167 0.00569 0.00000 173 2PX 0.01516 0.20376 -0.11768 -0.04149 -0.00001 174 2PY -0.00001 0.00000 0.00000 0.00000 -0.09020 175 2PZ 0.01694 0.04307 0.34133 -0.05991 -0.00004 176 3S 0.00453 0.03589 -0.02014 0.00545 0.00000 177 3PX 0.00585 0.06428 -0.04602 -0.01730 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 -0.03621 179 3PZ 0.00686 0.01506 0.14603 -0.02876 -0.00001 180 4XX -0.00153 -0.01013 -0.00514 0.00337 0.00000 181 4YY 0.00064 -0.00082 0.00161 -0.00071 0.00000 182 4ZZ 0.00033 0.00857 0.00266 -0.00255 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00457 184 4XZ -0.00154 -0.01017 0.00345 0.00243 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00103 186 22 H 1S 0.00990 0.05253 0.14692 -0.03197 -0.00002 187 2S 0.00325 0.03539 0.09049 -0.01697 -0.00002 188 23 H 1S 0.00258 0.07565 -0.15170 0.00263 0.00000 189 2S 0.00192 0.05463 -0.09213 -0.00218 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.45310 -0.45144 -0.43988 -0.40847 -0.39752 1 1 C 1S -0.00263 0.02760 0.00240 -0.00474 0.00868 2 2S 0.00832 -0.05880 -0.00485 0.00976 -0.02299 3 2PX 0.02553 -0.02540 0.03924 -0.00436 0.08808 4 2PY -0.06126 -0.03369 -0.00965 0.19370 0.01385 5 2PZ 0.00836 -0.04835 -0.01800 -0.17670 0.17985 6 3S 0.00202 -0.06823 -0.00681 0.01262 -0.02900 7 3PX 0.01168 -0.00264 0.02087 0.00357 0.02637 8 3PY -0.01739 -0.01953 -0.00209 0.07021 0.03523 9 3PZ 0.00441 -0.01265 -0.00707 -0.06670 0.03023 10 4XX -0.00169 0.00125 -0.00048 -0.00201 0.00013 11 4YY 0.00107 0.00304 -0.00031 -0.00312 0.00826 12 4ZZ 0.00047 -0.00162 0.00092 0.00348 -0.00319 13 4XY -0.00028 -0.00283 -0.00068 -0.00043 0.00635 14 4XZ -0.00142 -0.00227 -0.00273 -0.00258 -0.00098 15 4YZ 0.00131 -0.00533 0.00071 -0.00130 0.01035 16 2 C 1S -0.00339 -0.02705 0.00008 0.00108 0.02666 17 2S 0.00575 0.05463 -0.00164 -0.00167 -0.06291 18 2PX 0.02757 -0.02379 0.05384 0.14844 0.07352 19 2PY -0.02371 0.03899 -0.01060 -0.03116 0.26786 20 2PZ -0.07849 -0.01322 -0.02385 0.23027 -0.06603 21 3S 0.01475 0.07823 0.00700 -0.01372 -0.08741 22 3PX 0.01389 -0.00671 0.02309 0.05359 0.02931 23 3PY -0.01520 0.00840 -0.01335 -0.00547 0.07494 24 3PZ -0.03217 0.00701 -0.01205 0.07457 -0.03259 25 4XX -0.00549 -0.00124 -0.00108 -0.00396 -0.00213 26 4YY 0.00120 0.00413 0.00074 -0.00235 0.01220 27 4ZZ 0.00333 -0.00633 0.00121 0.00492 -0.00201 28 4XY -0.00146 0.00120 -0.00204 -0.00381 -0.00061 29 4XZ 0.00088 0.00059 0.00109 -0.00210 -0.00072 30 4YZ 0.00202 -0.00009 0.00107 -0.00380 0.00285 31 3 C 1S -0.00338 0.02705 0.00009 0.00108 -0.02666 32 2S 0.00573 -0.05463 -0.00166 -0.00168 0.06290 33 2PX 0.02754 0.02379 0.05384 0.14846 -0.07351 34 2PY 0.02374 0.03900 0.01061 0.03115 0.26786 35 2PZ -0.07848 0.01319 -0.02385 0.23025 0.06606 36 3S 0.01473 -0.07822 0.00697 -0.01374 0.08740 37 3PX 0.01388 0.00671 0.02309 0.05360 -0.02930 38 3PY 0.01521 0.00840 0.01335 0.00547 0.07494 39 3PZ -0.03216 -0.00702 -0.01205 0.07457 0.03260 40 4XX -0.00548 0.00123 -0.00108 -0.00397 0.00213 41 4YY 0.00119 -0.00413 0.00074 -0.00235 -0.01220 42 4ZZ 0.00333 0.00633 0.00121 0.00492 0.00201 43 4XY 0.00146 0.00120 0.00204 0.00381 -0.00061 44 4XZ 0.00088 -0.00059 0.00109 -0.00210 0.00072 45 4YZ -0.00202 -0.00009 -0.00107 0.00380 0.00285 46 4 C 1S -0.00264 -0.02760 0.00239 -0.00474 -0.00868 47 2S 0.00834 0.05880 -0.00483 0.00976 0.02299 48 2PX 0.02553 0.02541 0.03925 -0.00432 -0.08809 49 2PY 0.06126 -0.03367 0.00965 -0.19371 0.01382 50 2PZ 0.00838 0.04836 -0.01798 -0.17666 -0.17988 51 3S 0.00205 0.06824 -0.00678 0.01263 0.02900 52 3PX 0.01168 0.00264 0.02087 0.00358 -0.02638 53 3PY 0.01739 -0.01952 0.00209 -0.07022 0.03521 54 3PZ 0.00442 0.01266 -0.00707 -0.06670 -0.03025 55 4XX -0.00169 -0.00125 -0.00048 -0.00202 -0.00013 56 4YY 0.00107 -0.00304 -0.00031 -0.00312 -0.00826 57 4ZZ 0.00047 0.00162 0.00092 0.00348 0.00319 58 4XY 0.00028 -0.00283 0.00067 0.00043 0.00635 59 4XZ -0.00142 0.00227 -0.00273 -0.00258 0.00098 60 4YZ -0.00131 -0.00533 -0.00071 0.00129 0.01036 61 5 H 1S -0.00457 -0.06595 -0.00442 -0.02101 0.10616 62 2S -0.00667 -0.04509 -0.00462 -0.02019 0.10360 63 6 H 1S -0.00455 0.06595 -0.00440 -0.02098 -0.10617 64 2S -0.00666 0.04509 -0.00460 -0.02017 -0.10361 65 7 C 1S 0.01974 0.03907 -0.00119 0.00036 0.01173 66 2S -0.04488 -0.07673 0.00592 -0.00408 -0.01812 67 2PX -0.06127 0.11933 0.07450 -0.03509 -0.00408 68 2PY -0.00030 -0.06446 0.00054 -0.01628 -0.00909 69 2PZ -0.05045 0.19267 0.20308 -0.02439 0.02228 70 3S -0.05318 -0.13103 0.00422 0.00474 -0.08514 71 3PX -0.02736 0.03240 0.01625 -0.01110 -0.00799 72 3PY -0.00925 0.00142 0.00219 -0.00685 0.02886 73 3PZ -0.01712 0.05472 0.07788 -0.00588 0.00030 74 4XX 0.00563 0.00750 0.00365 -0.00229 -0.00063 75 4YY -0.00143 -0.00156 -0.00209 0.00056 0.00204 76 4ZZ 0.00053 -0.00159 -0.00341 0.00105 0.00098 77 4XY -0.00290 0.01267 0.00595 0.00017 -0.00031 78 4XZ -0.00216 0.00508 0.00267 -0.00240 -0.00030 79 4YZ -0.00248 0.02116 0.00408 -0.00022 0.00355 80 8 H 1S 0.01768 -0.17740 -0.09700 0.00888 -0.02032 81 2S 0.02829 -0.13970 -0.07204 0.00582 -0.01265 82 9 C 1S 0.01975 -0.03907 -0.00119 0.00036 -0.01173 83 2S -0.04490 0.07672 0.00592 -0.00409 0.01812 84 2PX -0.06121 -0.11936 0.07449 -0.03509 0.00407 85 2PY 0.00032 -0.06446 -0.00054 0.01629 -0.00907 86 2PZ -0.05038 -0.19271 0.20306 -0.02438 -0.02228 87 3S -0.05322 0.13102 0.00422 0.00473 0.08514 88 3PX -0.02734 -0.03241 0.01625 -0.01110 0.00798 89 3PY 0.00925 0.00143 -0.00219 0.00685 0.02887 90 3PZ -0.01710 -0.05474 0.07787 -0.00588 -0.00030 91 4XX 0.00564 -0.00750 0.00365 -0.00229 0.00063 92 4YY -0.00143 0.00156 -0.00209 0.00056 -0.00203 93 4ZZ 0.00053 0.00159 -0.00341 0.00105 -0.00098 94 4XY 0.00290 0.01268 -0.00595 -0.00017 -0.00031 95 4XZ -0.00216 -0.00508 0.00267 -0.00240 0.00030 96 4YZ 0.00247 0.02117 -0.00408 0.00022 0.00355 97 10 H 1S 0.01761 0.17742 -0.09698 0.00888 0.02031 98 2S 0.02824 0.13972 -0.07203 0.00582 0.01264 99 11 H 1S -0.00527 -0.04744 -0.00171 -0.01722 -0.14877 100 2S -0.00399 -0.03229 0.00269 -0.01647 -0.15130 101 12 H 1S -0.00525 0.04744 -0.00169 -0.01724 0.14877 102 2S -0.00397 0.03229 0.00270 -0.01649 0.15130 103 13 C 1S 0.00078 -0.00722 -0.00408 0.00367 -0.00875 104 2S -0.00131 0.01265 0.00954 -0.00881 0.01489 105 2PX 0.20967 -0.00650 0.09192 -0.11210 0.02584 106 2PY -0.00037 -0.00189 0.02189 0.13295 0.01532 107 2PZ -0.13921 -0.05269 -0.10840 -0.16393 0.14474 108 3S -0.00478 0.02627 0.00949 -0.02054 0.06317 109 3PX 0.09155 0.00718 0.03531 -0.04794 0.00821 110 3PY 0.00053 0.00938 0.00666 0.06656 0.03969 111 3PZ -0.06148 -0.01887 -0.05197 -0.07196 0.06736 112 4XX -0.00866 -0.00046 -0.00514 -0.00223 0.00291 113 4YY -0.00004 -0.00202 0.00104 0.00154 -0.00511 114 4ZZ 0.00720 0.00099 0.00403 0.00299 0.00020 115 4XY -0.00157 0.00105 -0.00049 0.00198 0.00143 116 4XZ 0.00240 -0.00244 0.00065 -0.00408 0.00623 117 4YZ 0.00201 0.00437 0.00163 0.00189 -0.00696 118 14 H 1S 0.09803 0.04062 0.06515 0.05052 -0.07713 119 2S 0.07761 0.03794 0.04258 0.04871 -0.06553 120 15 H 1S -0.13164 0.00334 -0.06574 0.00962 0.01169 121 2S -0.09846 0.00531 -0.05392 0.01197 0.00673 122 16 C 1S 0.00079 0.00722 -0.00408 0.00367 0.00875 123 2S -0.00134 -0.01265 0.00953 -0.00881 -0.01490 124 2PX 0.20970 0.00655 0.09193 -0.11209 -0.02585 125 2PY 0.00034 -0.00189 -0.02191 -0.13297 0.01531 126 2PZ -0.13920 0.05267 -0.10837 -0.16389 -0.14479 127 3S -0.00481 -0.02627 0.00948 -0.02053 -0.06318 128 3PX 0.09157 -0.00716 0.03532 -0.04794 -0.00821 129 3PY -0.00055 0.00938 -0.00667 -0.06658 0.03969 130 3PZ -0.06147 0.01886 -0.05196 -0.07194 -0.06739 131 4XX -0.00866 0.00046 -0.00514 -0.00223 -0.00290 132 4YY -0.00004 0.00202 0.00104 0.00154 0.00510 133 4ZZ 0.00720 -0.00099 0.00403 0.00299 -0.00019 134 4XY 0.00157 0.00105 0.00049 -0.00198 0.00143 135 4XZ 0.00239 0.00244 0.00065 -0.00408 -0.00623 136 4YZ -0.00201 0.00437 -0.00163 -0.00189 -0.00696 137 17 H 1S 0.09803 -0.04061 0.06514 0.05050 0.07715 138 2S 0.07762 -0.03793 0.04256 0.04870 0.06554 139 18 H 1S -0.13167 -0.00338 -0.06574 0.00963 -0.01168 140 2S -0.09847 -0.00533 -0.05392 0.01198 -0.00671 141 19 O 1S -0.01028 -0.01716 0.01853 -0.00592 -0.00589 142 2S 0.02380 0.03780 -0.04255 0.01226 0.00926 143 2PX 0.12926 -0.22466 -0.19748 0.04915 -0.02979 144 2PY -0.05488 0.03581 0.03810 0.01564 0.03586 145 2PZ 0.02751 -0.06193 -0.09759 0.02821 0.03721 146 3S 0.04574 0.08336 -0.07703 0.02611 0.03739 147 3PX 0.06859 -0.11867 -0.10830 0.02769 -0.02348 148 3PY -0.02778 0.01192 0.01582 0.01339 0.01958 149 3PZ 0.00907 -0.02663 -0.05161 0.01717 0.02471 150 4XX -0.00430 -0.00124 0.00751 -0.00015 -0.00020 151 4YY 0.00404 -0.00197 -0.00336 -0.00144 -0.00256 152 4ZZ -0.00297 -0.00340 0.00022 -0.00108 -0.00230 153 4XY -0.00539 0.00936 0.00787 -0.00225 0.00096 154 4XZ -0.00455 0.00007 0.00245 -0.00178 -0.00047 155 4YZ 0.00087 0.00241 0.00408 -0.00080 -0.00167 156 20 O 1S -0.01028 0.01716 0.01853 -0.00592 0.00589 157 2S 0.02381 -0.03779 -0.04255 0.01226 -0.00925 158 2PX 0.12916 0.22472 -0.19745 0.04915 0.02979 159 2PY 0.05488 0.03583 -0.03811 -0.01564 0.03584 160 2PZ 0.02747 0.06195 -0.09758 0.02822 -0.03720 161 3S 0.04577 -0.08333 -0.07702 0.02611 -0.03738 162 3PX 0.06854 0.11871 -0.10828 0.02769 0.02348 163 3PY 0.02778 0.01193 -0.01583 -0.01339 0.01957 164 3PZ 0.00905 0.02664 -0.05160 0.01717 -0.02470 165 4XX -0.00431 0.00124 0.00751 -0.00015 0.00020 166 4YY 0.00404 0.00197 -0.00336 -0.00144 0.00256 167 4ZZ -0.00297 0.00340 0.00022 -0.00108 0.00230 168 4XY 0.00539 0.00936 -0.00787 0.00225 0.00096 169 4XZ -0.00455 -0.00007 0.00245 -0.00178 0.00047 170 4YZ -0.00087 0.00241 -0.00408 0.00080 -0.00167 171 21 C 1S 0.01425 0.00000 -0.02213 0.00482 0.00000 172 2S -0.02958 -0.00001 0.04355 -0.01006 0.00000 173 2PX -0.14654 -0.00004 0.26765 -0.01855 0.00001 174 2PY 0.00004 -0.19255 -0.00001 0.00000 -0.03018 175 2PZ -0.16280 -0.00003 0.02319 -0.04745 0.00000 176 3S -0.03606 -0.00001 0.06235 -0.01053 0.00000 177 3PX -0.05678 -0.00002 0.09988 -0.00633 0.00000 178 3PY 0.00002 -0.08481 -0.00001 0.00000 -0.00596 179 3PZ -0.06678 -0.00001 0.00882 -0.01647 0.00000 180 4XX -0.00216 0.00000 0.01173 -0.00167 0.00000 181 4YY 0.01759 0.00000 -0.02779 0.00656 0.00000 182 4ZZ -0.01538 0.00000 0.01589 -0.00455 0.00000 183 4XY 0.00000 0.00857 0.00000 0.00000 0.00155 184 4XZ 0.00031 0.00000 -0.00579 -0.00232 0.00000 185 4YZ 0.00000 0.00422 0.00000 0.00000 0.00341 186 22 H 1S -0.12955 -0.00003 0.08177 -0.03916 0.00000 187 2S -0.09072 -0.00002 0.05726 -0.03256 0.00000 188 23 H 1S -0.03429 -0.00002 0.14784 0.00073 0.00000 189 2S -0.02400 -0.00001 0.10850 0.00333 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38848 -0.37953 -0.36268 -0.35121 -0.34583 1 1 C 1S 0.01886 -0.00414 0.00775 0.00531 -0.00793 2 2S -0.04385 0.00812 -0.00949 -0.01311 0.01959 3 2PX 0.07043 0.00821 -0.01644 -0.01404 -0.12817 4 2PY 0.18929 -0.11944 0.00620 -0.00275 0.08250 5 2PZ 0.12420 -0.03040 0.05110 0.00118 0.01026 6 3S -0.06861 0.01614 -0.08491 -0.02828 0.00542 7 3PX 0.02686 0.01341 -0.00883 0.00311 -0.07368 8 3PY 0.05033 -0.03670 0.02488 -0.00255 0.02835 9 3PZ 0.04607 -0.01362 0.05042 0.00498 0.01502 10 4XX 0.00332 -0.00156 0.00136 0.00070 0.00004 11 4YY -0.00574 0.00241 0.00511 0.00114 -0.00060 12 4ZZ 0.00860 -0.00451 -0.00298 -0.00221 -0.00022 13 4XY 0.00132 -0.00130 -0.00157 -0.00125 0.00261 14 4XZ 0.00520 -0.00401 0.00151 0.00003 0.00541 15 4YZ 0.00237 -0.00049 0.00159 -0.00081 -0.00109 16 2 C 1S -0.00040 0.00306 0.00569 0.00693 -0.00639 17 2S 0.00151 -0.00761 -0.01715 -0.01697 0.01793 18 2PX -0.01288 0.01470 -0.06018 -0.02588 -0.10670 19 2PY -0.02939 0.03149 0.12612 0.03703 -0.02176 20 2PZ -0.03668 -0.02876 0.04279 0.03898 0.07082 21 3S 0.00558 -0.00986 0.02464 -0.02035 0.00486 22 3PX 0.01383 0.00445 -0.05211 -0.01218 -0.05844 23 3PY -0.01081 -0.00059 0.01706 0.00497 -0.00418 24 3PZ 0.01706 -0.01246 0.03426 0.03621 0.05151 25 4XX 0.00089 0.00260 0.00103 0.00418 -0.00645 26 4YY -0.00270 0.00228 0.00597 0.00112 -0.00453 27 4ZZ 0.00052 -0.00268 -0.00612 -0.00420 0.00654 28 4XY 0.00422 -0.00450 0.00171 0.00075 0.00246 29 4XZ 0.00120 0.00003 -0.00079 -0.00185 0.00081 30 4YZ 0.01047 -0.00385 -0.00075 -0.00121 -0.00122 31 3 C 1S -0.00040 0.00306 -0.00570 -0.00693 -0.00639 32 2S 0.00151 -0.00762 0.01715 0.01697 0.01794 33 2PX -0.01288 0.01471 0.06017 0.02590 -0.10671 34 2PY 0.02940 -0.03152 0.12612 0.03702 0.02177 35 2PZ -0.03668 -0.02876 -0.04282 -0.03901 0.07079 36 3S 0.00560 -0.00986 -0.02463 0.02036 0.00485 37 3PX 0.01383 0.00445 0.05211 0.01219 -0.05844 38 3PY 0.01082 0.00059 0.01707 0.00497 0.00418 39 3PZ 0.01706 -0.01246 -0.03427 -0.03624 0.05149 40 4XX 0.00089 0.00260 -0.00103 -0.00418 -0.00645 41 4YY -0.00270 0.00228 -0.00597 -0.00112 -0.00453 42 4ZZ 0.00052 -0.00269 0.00612 0.00419 0.00654 43 4XY -0.00422 0.00450 0.00171 0.00076 -0.00246 44 4XZ 0.00120 0.00003 0.00079 0.00185 0.00081 45 4YZ -0.01047 0.00385 -0.00075 -0.00121 0.00122 46 4 C 1S 0.01886 -0.00414 -0.00775 -0.00530 -0.00793 47 2S -0.04385 0.00812 0.00949 0.01310 0.01959 48 2PX 0.07045 0.00820 0.01645 0.01407 -0.12816 49 2PY -0.18928 0.11944 0.00624 -0.00272 -0.08251 50 2PZ 0.12420 -0.03039 -0.05109 -0.00117 0.01028 51 3S -0.06862 0.01613 0.08490 0.02828 0.00544 52 3PX 0.02686 0.01341 0.00883 -0.00309 -0.07368 53 3PY -0.05032 0.03670 0.02489 -0.00254 -0.02835 54 3PZ 0.04607 -0.01361 -0.05041 -0.00498 0.01503 55 4XX 0.00332 -0.00156 -0.00136 -0.00070 0.00004 56 4YY -0.00574 0.00241 -0.00511 -0.00114 -0.00060 57 4ZZ 0.00860 -0.00451 0.00298 0.00221 -0.00022 58 4XY -0.00132 0.00129 -0.00157 -0.00125 -0.00261 59 4XZ 0.00520 -0.00401 -0.00151 -0.00003 0.00541 60 4YZ -0.00236 0.00049 0.00159 -0.00081 0.00109 61 5 H 1S 0.12058 -0.04954 0.01525 -0.01176 0.01042 62 2S 0.11931 -0.04878 0.00094 -0.00445 0.01303 63 6 H 1S 0.12057 -0.04953 -0.01526 0.01176 0.01044 64 2S 0.11930 -0.04877 -0.00095 0.00445 0.01305 65 7 C 1S -0.00535 -0.01143 -0.01223 0.01541 -0.00448 66 2S 0.01189 0.02438 0.02566 -0.03482 0.01597 67 2PX -0.06325 -0.11948 0.09580 -0.08548 0.14537 68 2PY -0.11735 -0.23042 0.00449 0.02354 -0.18102 69 2PZ 0.02587 0.04969 -0.04155 -0.07333 -0.07954 70 3S 0.02484 0.04560 0.05273 -0.07158 0.00433 71 3PX -0.03417 -0.05475 0.06073 -0.00089 0.08094 72 3PY -0.02756 -0.05933 -0.01997 0.06544 -0.05892 73 3PZ 0.00511 0.02495 -0.02720 -0.00320 -0.06469 74 4XX -0.00331 -0.00954 0.00702 -0.01075 0.00084 75 4YY 0.00439 0.00880 -0.00348 0.01020 0.00549 76 4ZZ -0.00385 -0.00627 -0.00549 0.00160 -0.01066 77 4XY 0.00345 0.00532 0.00403 0.00058 0.00014 78 4XZ -0.00492 -0.00892 0.00344 -0.00606 -0.00358 79 4YZ 0.00192 0.00362 -0.00541 -0.00105 0.00793 80 8 H 1S -0.04807 -0.08529 0.01209 0.03995 -0.06526 81 2S -0.05596 -0.08496 0.00480 0.03841 -0.07197 82 9 C 1S -0.00535 -0.01143 0.01223 -0.01541 -0.00448 83 2S 0.01189 0.02438 -0.02566 0.03482 0.01598 84 2PX -0.06324 -0.11946 -0.09582 0.08544 0.14539 85 2PY 0.11735 0.23043 0.00451 0.02349 0.18102 86 2PZ 0.02587 0.04969 0.04156 0.07334 -0.07953 87 3S 0.02484 0.04559 -0.05273 0.07158 0.00433 88 3PX -0.03417 -0.05475 -0.06074 0.00087 0.08094 89 3PY 0.02757 0.05933 -0.01997 0.06542 0.05893 90 3PZ 0.00511 0.02495 0.02721 0.00322 -0.06470 91 4XX -0.00331 -0.00954 -0.00703 0.01075 0.00084 92 4YY 0.00439 0.00880 0.00348 -0.01020 0.00549 93 4ZZ -0.00385 -0.00627 0.00549 -0.00160 -0.01066 94 4XY -0.00345 -0.00532 0.00403 0.00058 -0.00014 95 4XZ -0.00492 -0.00892 -0.00345 0.00606 -0.00358 96 4YZ -0.00192 -0.00362 -0.00541 -0.00105 -0.00793 97 10 H 1S -0.04807 -0.08529 -0.01209 -0.03993 -0.06527 98 2S -0.05597 -0.08497 -0.00480 -0.03839 -0.07198 99 11 H 1S -0.02108 0.01893 -0.07140 -0.01550 -0.02343 100 2S -0.02026 0.02650 -0.07458 -0.03195 -0.02578 101 12 H 1S -0.02108 0.01891 0.07141 0.01551 -0.02342 102 2S -0.02026 0.02648 0.07459 0.03196 -0.02576 103 13 C 1S -0.01875 0.01129 -0.00689 -0.00206 -0.00178 104 2S 0.04059 -0.02637 0.00956 0.00664 0.00151 105 2PX 0.08383 -0.07656 0.16735 0.14282 0.08434 106 2PY 0.19843 -0.13950 0.00468 -0.00121 -0.06107 107 2PZ 0.12411 -0.02477 -0.11387 -0.10270 -0.05865 108 3S 0.07965 -0.03241 0.06563 0.00137 0.01409 109 3PX 0.05121 -0.03448 0.08259 0.05865 0.04113 110 3PY 0.08014 -0.06425 0.02463 0.00647 -0.03076 111 3PZ 0.05446 -0.01566 -0.03586 -0.05103 -0.02360 112 4XX -0.00294 0.00628 -0.00588 -0.00631 -0.00833 113 4YY 0.00641 -0.00441 -0.00262 -0.00033 -0.00195 114 4ZZ -0.00881 0.00108 0.00715 0.00654 0.00993 115 4XY 0.00007 0.00016 -0.00960 -0.00886 -0.00010 116 4XZ 0.00390 -0.00251 0.00326 0.00188 0.00152 117 4YZ -0.00093 -0.00023 0.00929 0.00753 0.00009 118 14 H 1S -0.09376 0.02348 0.10138 0.08840 0.06538 119 2S -0.09646 0.01929 0.09997 0.08314 0.06320 120 15 H 1S -0.05300 0.06153 -0.11863 -0.10631 -0.05201 121 2S -0.04638 0.06013 -0.11152 -0.10344 -0.05398 122 16 C 1S -0.01875 0.01129 0.00689 0.00206 -0.00178 123 2S 0.04058 -0.02637 -0.00956 -0.00663 0.00152 124 2PX 0.08384 -0.07655 -0.16736 -0.14284 0.08426 125 2PY -0.19842 0.13950 0.00466 -0.00124 0.06106 126 2PZ 0.12412 -0.02477 0.11387 0.10271 -0.05862 127 3S 0.07966 -0.03240 -0.06563 -0.00138 0.01409 128 3PX 0.05122 -0.03447 -0.08259 -0.05866 0.04109 129 3PY -0.08013 0.06424 0.02462 0.00646 0.03076 130 3PZ 0.05447 -0.01566 0.03585 0.05103 -0.02359 131 4XX -0.00294 0.00629 0.00588 0.00631 -0.00833 132 4YY 0.00641 -0.00441 0.00262 0.00034 -0.00195 133 4ZZ -0.00881 0.00108 -0.00715 -0.00654 0.00992 134 4XY -0.00006 -0.00016 -0.00961 -0.00886 0.00010 135 4XZ 0.00390 -0.00251 -0.00326 -0.00188 0.00152 136 4YZ 0.00093 0.00023 0.00929 0.00753 -0.00009 137 17 H 1S -0.09373 0.02346 -0.10140 -0.08843 0.06535 138 2S -0.09644 0.01928 -0.09999 -0.08317 0.06318 139 18 H 1S -0.05302 0.06153 0.11862 0.10632 -0.05195 140 2S -0.04640 0.06014 0.11152 0.10344 -0.05393 141 19 O 1S -0.02074 -0.03798 0.01955 -0.03007 -0.01777 142 2S 0.04035 0.07511 -0.03665 0.06084 0.03511 143 2PX 0.05050 0.09533 0.08885 0.02275 0.07141 144 2PY 0.10223 0.19213 -0.14270 0.33785 0.12044 145 2PZ 0.04939 0.11012 -0.22316 0.13253 -0.10194 146 3S 0.10032 0.17948 -0.09441 0.10698 0.08853 147 3PX 0.03132 0.06234 0.06566 0.01544 0.05533 148 3PY 0.06384 0.12122 -0.09044 0.22446 0.07445 149 3PZ 0.02978 0.06856 -0.14870 0.09403 -0.06636 150 4XX 0.00132 0.00310 -0.00290 0.00206 -0.00656 151 4YY -0.00802 -0.01402 0.00756 -0.01587 -0.00858 152 4ZZ -0.00361 -0.00685 0.00645 -0.00015 0.00655 153 4XY -0.00077 -0.00114 -0.00274 -0.00341 0.00057 154 4XZ -0.00198 -0.00373 0.00015 -0.00069 0.00437 155 4YZ -0.00086 -0.00260 0.01084 -0.01030 0.00481 156 20 O 1S -0.02073 -0.03798 -0.01955 0.03008 -0.01776 157 2S 0.04035 0.07511 0.03666 -0.06085 0.03510 158 2PX 0.05050 0.09534 -0.08883 -0.02278 0.07141 159 2PY -0.10223 -0.19212 -0.14272 0.33789 -0.12037 160 2PZ 0.04937 0.11008 0.22317 -0.13251 -0.10198 161 3S 0.10031 0.17947 0.09443 -0.10701 0.08851 162 3PX 0.03132 0.06235 -0.06564 -0.01546 0.05533 163 3PY -0.06384 -0.12122 -0.09046 0.22448 -0.07440 164 3PZ 0.02978 0.06854 0.14871 -0.09401 -0.06639 165 4XX 0.00132 0.00310 0.00290 -0.00206 -0.00656 166 4YY -0.00802 -0.01402 -0.00757 0.01587 -0.00857 167 4ZZ -0.00361 -0.00685 -0.00645 0.00015 0.00655 168 4XY 0.00077 0.00114 -0.00274 -0.00341 -0.00057 169 4XZ -0.00198 -0.00373 -0.00015 0.00069 0.00437 170 4YZ 0.00086 0.00260 0.01084 -0.01030 -0.00481 171 21 C 1S 0.01612 0.02995 0.00000 0.00000 0.02288 172 2S -0.04095 -0.07405 0.00000 0.00001 -0.05582 173 2PX 0.07064 0.12802 0.00000 -0.00001 0.03505 174 2PY 0.00000 0.00000 0.07707 -0.13506 -0.00001 175 2PZ -0.05923 -0.10329 -0.00001 -0.00002 0.20386 176 3S -0.04026 -0.07740 0.00000 0.00001 -0.07808 177 3PX 0.02307 0.05228 0.00000 0.00000 0.03715 178 3PY 0.00000 0.00000 0.00727 0.00273 0.00000 179 3PZ -0.02010 -0.02756 0.00000 -0.00001 0.05911 180 4XX -0.00215 -0.00364 0.00000 0.00000 -0.01381 181 4YY 0.00707 0.01380 0.00000 0.00000 0.00258 182 4ZZ -0.00453 -0.00872 0.00000 0.00000 0.01489 183 4XY 0.00000 0.00000 -0.00317 0.01642 0.00000 184 4XZ -0.00715 -0.01400 0.00000 0.00000 0.01268 185 4YZ 0.00000 0.00000 -0.01704 0.01360 0.00000 186 22 H 1S -0.04902 -0.09034 -0.00001 -0.00001 0.12354 187 2S -0.03186 -0.07218 -0.00001 -0.00001 0.13817 188 23 H 1S 0.03783 0.06857 0.00000 0.00001 -0.09776 189 2S 0.04374 0.07978 0.00000 0.00001 -0.09746 36 37 38 39 40 O O O O O Eigenvalues -- -0.32850 -0.32252 -0.31725 -0.27465 -0.19648 1 1 C 1S 0.00563 -0.00160 0.00440 0.00855 -0.00570 2 2S -0.01408 0.01627 -0.01510 -0.00723 0.01367 3 2PX 0.00123 -0.05411 0.01186 0.26888 -0.18941 4 2PY -0.00341 0.01737 0.21747 -0.00210 0.02687 5 2PZ -0.05881 -0.19803 -0.01166 -0.08590 0.03640 6 3S -0.01896 -0.08279 -0.00604 -0.06364 -0.02569 7 3PX 0.01691 -0.00127 0.00418 0.17110 -0.12812 8 3PY -0.00372 0.04637 0.07765 -0.00612 0.05782 9 3PZ -0.01861 -0.02453 -0.01529 -0.04377 0.05455 10 4XX 0.00034 -0.00214 0.00235 -0.00031 0.00260 11 4YY 0.00066 0.00099 -0.00965 -0.00104 0.00290 12 4ZZ -0.00205 -0.00376 0.00974 0.00653 -0.00803 13 4XY -0.00032 -0.00447 0.00060 -0.00713 -0.01347 14 4XZ -0.00394 -0.00629 0.00529 -0.00253 0.00678 15 4YZ -0.00522 -0.01617 0.00470 0.00518 0.00061 16 2 C 1S 0.00833 -0.00157 -0.00140 -0.01294 0.01335 17 2S -0.02230 -0.00063 0.00836 0.02454 -0.02679 18 2PX 0.07217 0.14644 -0.06573 0.10774 -0.26160 19 2PY 0.02892 0.02822 -0.19003 -0.06198 0.08043 20 2PZ 0.07296 0.21880 0.01470 -0.07732 0.14973 21 3S -0.00856 0.04621 -0.01565 0.06978 -0.05648 22 3PX 0.03469 0.05226 -0.02140 0.06686 -0.21431 23 3PY 0.00702 -0.02672 -0.05530 -0.06265 0.03311 24 3PZ 0.03578 0.08817 0.01112 -0.04910 0.11545 25 4XX 0.00404 -0.00652 0.00654 0.00236 -0.00661 26 4YY 0.00127 0.00334 -0.02105 -0.00185 0.00182 27 4ZZ -0.00332 0.00152 0.01063 -0.00495 0.00610 28 4XY -0.00194 -0.00373 -0.00367 -0.00536 0.00225 29 4XZ -0.00270 -0.00275 0.00449 0.01141 -0.00600 30 4YZ -0.00261 -0.00791 0.00111 0.00085 -0.00136 31 3 C 1S -0.00833 0.00157 -0.00140 -0.01294 -0.01334 32 2S 0.02230 0.00063 0.00836 0.02454 0.02677 33 2PX -0.07217 -0.14646 -0.06571 0.10771 0.26163 34 2PY 0.02890 0.02824 0.19003 0.06198 0.08045 35 2PZ -0.07297 -0.21880 0.01473 -0.07732 -0.14975 36 3S 0.00856 -0.04622 -0.01565 0.06981 0.05651 37 3PX -0.03470 -0.05226 -0.02139 0.06684 0.21432 38 3PY 0.00702 -0.02671 0.05530 0.06266 0.03315 39 3PZ -0.03579 -0.08816 0.01113 -0.04910 -0.11548 40 4XX -0.00404 0.00652 0.00653 0.00236 0.00661 41 4YY -0.00127 -0.00334 -0.02105 -0.00185 -0.00182 42 4ZZ 0.00331 -0.00152 0.01063 -0.00495 -0.00610 43 4XY -0.00194 -0.00373 0.00367 0.00536 0.00226 44 4XZ 0.00270 0.00275 0.00449 0.01141 0.00599 45 4YZ -0.00261 -0.00791 -0.00110 -0.00085 -0.00136 46 4 C 1S -0.00563 0.00160 0.00440 0.00855 0.00570 47 2S 0.01408 -0.01627 -0.01509 -0.00723 -0.01367 48 2PX -0.00122 0.05412 0.01187 0.26887 0.18928 49 2PY -0.00339 0.01734 -0.21747 0.00212 0.02686 50 2PZ 0.05881 0.19803 -0.01170 -0.08590 -0.03633 51 3S 0.01896 0.08278 -0.00605 -0.06366 0.02569 52 3PX -0.01690 0.00127 0.00419 0.17110 0.12800 53 3PY -0.00372 0.04636 -0.07766 0.00613 0.05781 54 3PZ 0.01861 0.02452 -0.01530 -0.04377 -0.05450 55 4XX -0.00034 0.00214 0.00235 -0.00031 -0.00260 56 4YY -0.00066 -0.00100 -0.00965 -0.00104 -0.00290 57 4ZZ 0.00205 0.00376 0.00974 0.00653 0.00803 58 4XY -0.00032 -0.00446 -0.00060 0.00713 -0.01348 59 4XZ 0.00394 0.00629 0.00529 -0.00253 -0.00678 60 4YZ -0.00521 -0.01617 -0.00470 -0.00518 0.00061 61 5 H 1S -0.04506 -0.12967 0.07679 0.02526 -0.02833 62 2S -0.04285 -0.16008 0.08734 0.02213 -0.04489 63 6 H 1S 0.04505 0.12969 0.07676 0.02526 0.02834 64 2S 0.04284 0.16009 0.08730 0.02213 0.04489 65 7 C 1S -0.02811 0.00909 -0.00006 0.00738 0.00320 66 2S 0.06340 -0.02177 -0.00184 -0.02132 -0.00198 67 2PX -0.06182 0.02459 -0.05205 0.06480 0.06585 68 2PY 0.01674 -0.00567 0.06287 -0.02473 0.00233 69 2PZ 0.04908 -0.01975 0.03169 -0.02877 -0.08585 70 3S 0.09262 -0.02118 -0.00416 0.00226 -0.02120 71 3PX -0.07205 0.04385 -0.03754 0.05214 0.05107 72 3PY -0.01197 -0.00502 0.01516 -0.00543 -0.04370 73 3PZ 0.01566 0.01213 0.02391 -0.01898 -0.05127 74 4XX -0.00886 0.00254 -0.00148 0.01078 -0.00786 75 4YY -0.00599 0.00209 -0.00266 -0.00081 0.00127 76 4ZZ 0.01154 -0.00354 0.00436 -0.00764 0.00485 77 4XY -0.01009 0.00336 0.00113 0.00056 0.00410 78 4XZ 0.00530 -0.00188 0.00245 -0.00767 0.00825 79 4YZ -0.00130 0.00022 -0.00304 0.00174 -0.00643 80 8 H 1S 0.03696 -0.00889 0.02568 -0.03207 0.05694 81 2S 0.01608 0.01068 0.03065 -0.04243 0.09861 82 9 C 1S 0.02811 -0.00909 -0.00005 0.00738 -0.00322 83 2S -0.06340 0.02177 -0.00184 -0.02131 0.00201 84 2PX 0.06181 -0.02462 -0.05205 0.06480 -0.06603 85 2PY 0.01672 -0.00569 -0.06286 0.02473 0.00227 86 2PZ -0.04908 0.01977 0.03169 -0.02877 0.08602 87 3S -0.09262 0.02118 -0.00417 0.00225 0.02127 88 3PX 0.07204 -0.04386 -0.03753 0.05214 -0.05121 89 3PY -0.01198 -0.00503 -0.01515 0.00543 -0.04375 90 3PZ -0.01566 -0.01212 0.02391 -0.01898 0.05138 91 4XX 0.00886 -0.00254 -0.00148 0.01078 0.00787 92 4YY 0.00599 -0.00210 -0.00265 -0.00081 -0.00127 93 4ZZ -0.01154 0.00354 0.00436 -0.00764 -0.00486 94 4XY -0.01009 0.00335 -0.00113 -0.00056 0.00409 95 4XZ -0.00530 0.00188 0.00245 -0.00767 -0.00825 96 4YZ -0.00130 0.00022 0.00304 -0.00174 -0.00642 97 10 H 1S -0.03695 0.00889 0.02567 -0.03206 -0.05697 98 2S -0.01607 -0.01068 0.03066 -0.04243 -0.09867 99 11 H 1S -0.01494 -0.02979 -0.15642 -0.02271 -0.02019 100 2S -0.01823 -0.04248 -0.17273 -0.02418 -0.04837 101 12 H 1S 0.01495 0.02975 -0.15643 -0.02271 0.02018 102 2S 0.01824 0.04244 -0.17273 -0.02418 0.04835 103 13 C 1S -0.00464 -0.00715 0.00600 -0.00321 -0.00759 104 2S 0.00899 0.01883 -0.01693 0.00825 0.01058 105 2PX 0.15282 0.11118 0.03085 -0.01511 -0.06443 106 2PY -0.00848 -0.01628 -0.26997 -0.06316 0.01228 107 2PZ -0.00365 0.21045 0.02776 0.04125 0.04986 108 3S 0.02715 0.04957 -0.00458 0.01192 0.08236 109 3PX 0.08211 0.06696 0.02647 -0.01011 -0.03324 110 3PY 0.00288 -0.00701 -0.13436 -0.04400 0.02244 111 3PZ -0.00708 0.11142 0.02322 -0.00287 0.01924 112 4XX -0.00659 0.00251 0.00613 0.00782 0.01452 113 4YY 0.00017 0.00073 -0.01200 -0.00201 -0.00377 114 4ZZ 0.00370 -0.00669 0.00848 -0.00560 -0.01197 115 4XY -0.00938 -0.00667 0.00336 0.00079 0.00420 116 4XZ 0.00403 0.00619 0.00162 0.00109 0.00055 117 4YZ 0.00065 -0.01335 0.00240 0.00168 -0.00092 118 14 H 1S 0.02897 -0.11872 0.05357 -0.01890 -0.06558 119 2S 0.02115 -0.12422 0.05989 -0.04917 -0.10788 120 15 H 1S -0.09802 -0.02589 0.04328 0.04240 0.08358 121 2S -0.09492 -0.02510 0.04674 0.04275 0.10283 122 16 C 1S 0.00464 0.00715 0.00600 -0.00321 0.00760 123 2S -0.00898 -0.01883 -0.01693 0.00825 -0.01061 124 2PX -0.15283 -0.11117 0.03084 -0.01512 0.06440 125 2PY -0.00852 -0.01623 0.26997 0.06317 0.01229 126 2PZ 0.00365 -0.21044 0.02781 0.04124 -0.04988 127 3S -0.02715 -0.04957 -0.00458 0.01194 -0.08245 128 3PX -0.08212 -0.06695 0.02646 -0.01010 0.03324 129 3PY 0.00286 -0.00699 0.13437 0.04400 0.02243 130 3PZ 0.00708 -0.11142 0.02325 -0.00287 -0.01925 131 4XX 0.00659 -0.00250 0.00613 0.00782 -0.01451 132 4YY -0.00017 -0.00074 -0.01200 -0.00201 0.00377 133 4ZZ -0.00371 0.00669 0.00848 -0.00560 0.01197 134 4XY -0.00938 -0.00667 -0.00336 -0.00079 0.00419 135 4XZ -0.00403 -0.00619 0.00162 0.00110 -0.00056 136 4YZ 0.00065 -0.01335 -0.00240 -0.00168 -0.00092 137 17 H 1S -0.02900 0.11872 0.05352 -0.01890 0.06558 138 2S -0.02117 0.12422 0.05983 -0.04917 0.10790 139 18 H 1S 0.09802 0.02592 0.04330 0.04240 -0.08355 140 2S 0.09492 0.02514 0.04677 0.04276 -0.10276 141 19 O 1S 0.01645 -0.00226 0.00292 0.00339 -0.00913 142 2S -0.03498 0.00672 -0.00601 -0.00398 0.02172 143 2PX -0.15362 0.06799 -0.05099 0.14021 -0.09552 144 2PY -0.22686 0.06394 -0.03336 0.02712 -0.02450 145 2PZ 0.26613 -0.10474 0.05284 -0.18923 0.11211 146 3S -0.05341 -0.00880 -0.01072 -0.03364 0.05325 147 3PX -0.11549 0.05271 -0.03706 0.10662 -0.06921 148 3PY -0.15539 0.04729 -0.02444 0.03024 -0.02287 149 3PZ 0.18574 -0.07152 0.03391 -0.12846 0.09013 150 4XX 0.00406 -0.00093 0.00258 -0.00356 -0.00381 151 4YY 0.01146 -0.00267 0.00179 -0.00220 0.00203 152 4ZZ -0.00766 0.00327 -0.00291 0.00935 0.00004 153 4XY 0.00718 -0.00337 0.00107 -0.00469 0.00351 154 4XZ 0.00203 -0.00108 -0.00090 -0.00013 0.00308 155 4YZ -0.00739 0.00312 -0.00243 0.00626 -0.00414 156 20 O 1S -0.01644 0.00226 0.00291 0.00339 0.00913 157 2S 0.03498 -0.00672 -0.00601 -0.00398 -0.02173 158 2PX 0.15361 -0.06801 -0.05098 0.14021 0.09567 159 2PY -0.22684 0.06394 0.03333 -0.02712 -0.02449 160 2PZ -0.26612 0.10476 0.05281 -0.18923 -0.11232 161 3S 0.05340 0.00880 -0.01071 -0.03364 -0.05327 162 3PX 0.11548 -0.05272 -0.03704 0.10661 0.06934 163 3PY -0.15538 0.04730 0.02442 -0.03023 -0.02286 164 3PZ -0.18573 0.07154 0.03390 -0.12846 -0.09031 165 4XX -0.00406 0.00093 0.00257 -0.00356 0.00381 166 4YY -0.01146 0.00267 0.00179 -0.00220 -0.00203 167 4ZZ 0.00766 -0.00327 -0.00291 0.00935 -0.00004 168 4XY 0.00718 -0.00337 -0.00106 0.00469 0.00351 169 4XZ -0.00203 0.00108 -0.00090 -0.00013 -0.00308 170 4YZ -0.00739 0.00312 0.00243 -0.00626 -0.00414 171 21 C 1S 0.00000 0.00000 -0.00621 0.00533 0.00000 172 2S 0.00000 0.00000 0.01556 -0.01467 0.00002 173 2PX -0.00001 0.00000 0.00822 -0.05050 -0.00003 174 2PY 0.10184 -0.01910 0.00001 0.00000 -0.03315 175 2PZ -0.00001 -0.00002 -0.06962 0.11482 0.00003 176 3S 0.00000 0.00000 0.01864 -0.01753 0.00002 177 3PX -0.00001 0.00000 -0.00535 -0.01871 0.00001 178 3PY 0.00616 0.00208 0.00000 0.00000 -0.04266 179 3PZ 0.00000 0.00000 -0.01476 0.00287 -0.00001 180 4XX 0.00000 0.00000 0.00655 -0.01594 -0.00001 181 4YY 0.00000 0.00000 -0.00247 0.00582 0.00000 182 4ZZ 0.00000 0.00000 -0.00532 0.01159 0.00000 183 4XY -0.01949 0.00618 0.00000 0.00000 -0.00524 184 4XZ 0.00000 0.00000 -0.00635 0.01627 0.00001 185 4YZ 0.01355 -0.00623 0.00000 0.00000 0.00904 186 22 H 1S 0.00000 -0.00001 -0.04453 0.09021 0.00003 187 2S 0.00000 -0.00001 -0.05239 0.13790 0.00004 188 23 H 1S 0.00000 0.00001 0.04781 -0.11328 -0.00005 189 2S 0.00000 0.00001 0.05322 -0.13722 -0.00009 41 42 43 44 45 O V V V V Eigenvalues -- -0.19051 -0.00462 0.01543 0.08100 0.10931 1 1 C 1S -0.00219 0.00427 -0.00497 -0.02227 0.02042 2 2S 0.00139 -0.01118 0.00501 0.05014 -0.04524 3 2PX 0.15083 -0.16799 -0.23528 0.01647 0.20729 4 2PY -0.02629 0.03584 0.00129 0.02030 0.01419 5 2PZ -0.07712 0.06511 0.11316 0.04496 -0.08042 6 3S -0.00289 -0.03432 0.02699 0.19019 -0.19016 7 3PX 0.13431 -0.22122 -0.30293 0.07389 0.33367 8 3PY -0.02417 0.01850 0.05339 0.04065 -0.07067 9 3PZ -0.07255 0.08800 0.15225 0.11425 -0.19120 10 4XX 0.00036 -0.00748 0.00040 -0.00270 0.00383 11 4YY 0.00005 -0.00489 -0.00189 0.00452 0.00762 12 4ZZ -0.00357 0.01288 -0.00098 -0.00463 -0.00879 13 4XY -0.00617 0.01706 -0.01283 -0.00414 0.00698 14 4XZ 0.00250 -0.01012 -0.00094 -0.00252 0.00479 15 4YZ 0.00166 -0.00152 0.00534 -0.00837 -0.00501 16 2 C 1S -0.00526 -0.02784 0.01040 -0.02659 0.00913 17 2S 0.01904 0.04872 -0.04251 0.04839 -0.02013 18 2PX -0.04894 0.29132 -0.02487 -0.03291 -0.17702 19 2PY 0.00443 -0.09084 0.01666 0.08388 0.07813 20 2PZ 0.01306 -0.17753 -0.00088 0.01120 0.12585 21 3S -0.02438 0.21197 0.03636 0.33486 -0.05958 22 3PX -0.02182 0.37344 -0.04537 -0.01897 -0.16840 23 3PY 0.02784 -0.10329 0.00022 0.14691 0.16207 24 3PZ 0.03418 -0.21154 -0.02564 0.06729 0.27879 25 4XX -0.00180 -0.00834 0.00239 -0.00052 0.01077 26 4YY 0.00211 -0.00243 -0.00417 -0.00943 -0.00295 27 4ZZ -0.00324 0.00201 0.00511 0.00484 -0.00554 28 4XY 0.00074 0.00666 0.00009 -0.00460 -0.00762 29 4XZ 0.01064 -0.00181 -0.02051 0.00521 0.01015 30 4YZ -0.00187 -0.00214 0.00100 0.00181 0.00537 31 3 C 1S -0.00528 -0.02783 -0.01041 -0.02659 -0.00914 32 2S 0.01907 0.04871 0.04253 0.04839 0.02014 33 2PX -0.04871 0.29129 0.02499 -0.03291 0.17702 34 2PY -0.00436 0.09085 0.01669 -0.08389 0.07809 35 2PZ 0.01293 -0.17754 0.00081 0.01121 -0.12583 36 3S -0.02433 0.21201 -0.03628 0.33489 0.05969 37 3PX -0.02162 0.37340 0.04554 -0.01897 0.16828 38 3PY -0.02781 0.10331 0.00027 -0.14690 0.16187 39 3PZ 0.03409 -0.21158 0.02554 0.06732 -0.27870 40 4XX -0.00179 -0.00834 -0.00239 -0.00052 -0.01077 41 4YY 0.00211 -0.00244 0.00417 -0.00943 0.00295 42 4ZZ -0.00325 0.00201 -0.00512 0.00484 0.00555 43 4XY -0.00074 -0.00666 0.00009 0.00460 -0.00761 44 4XZ 0.01064 -0.00182 0.02051 0.00521 -0.01015 45 4YZ 0.00187 0.00214 0.00101 -0.00181 0.00536 46 4 C 1S -0.00218 0.00427 0.00497 -0.02227 -0.02044 47 2S 0.00138 -0.01118 -0.00502 0.05014 0.04527 48 2PX 0.15100 -0.16806 0.23521 0.01650 -0.20722 49 2PY 0.02633 -0.03585 0.00129 -0.02030 0.01417 50 2PZ -0.07716 0.06515 -0.11314 0.04495 0.08046 51 3S -0.00286 -0.03432 -0.02701 0.19017 0.19041 52 3PX 0.13442 -0.22132 0.30283 0.07394 -0.33356 53 3PY 0.02424 -0.01854 0.05341 -0.04063 -0.07074 54 3PZ -0.07260 0.08805 -0.15222 0.11424 0.19128 55 4XX 0.00036 -0.00748 -0.00040 -0.00270 -0.00384 56 4YY 0.00005 -0.00489 0.00188 0.00452 -0.00762 57 4ZZ -0.00356 0.01288 0.00099 -0.00463 0.00878 58 4XY 0.00616 -0.01705 -0.01284 0.00414 0.00698 59 4XZ 0.00249 -0.01012 0.00094 -0.00252 -0.00479 60 4YZ -0.00166 0.00152 0.00534 0.00837 -0.00501 61 5 H 1S -0.00754 0.01416 -0.01208 -0.03186 0.00847 62 2S 0.00219 0.06324 -0.04535 -0.35480 0.11089 63 6 H 1S -0.00752 0.01416 0.01209 -0.03186 -0.00849 64 2S 0.00223 0.06323 0.04539 -0.35480 -0.11125 65 7 C 1S 0.01540 0.01253 -0.04275 -0.03551 -0.05561 66 2S -0.03325 -0.03734 0.09866 0.06352 0.11707 67 2PX 0.21258 0.14641 -0.24255 -0.04331 -0.03575 68 2PY -0.06649 -0.02705 0.07025 0.09702 0.10483 69 2PZ -0.19737 -0.09826 0.23159 -0.07923 0.06529 70 3S -0.09783 -0.00909 0.17568 0.51312 0.46459 71 3PX 0.16604 0.16575 -0.37681 -0.06513 -0.12688 72 3PY -0.06749 -0.00715 0.21103 0.23036 0.23583 73 3PZ -0.13178 -0.10725 0.15612 -0.15866 -0.12316 74 4XX -0.01089 0.00741 -0.00214 -0.00634 -0.01313 75 4YY -0.00048 -0.00140 -0.00199 0.00073 0.00057 76 4ZZ 0.01341 0.00072 -0.00930 -0.00030 -0.00214 77 4XY -0.01253 -0.01300 -0.01124 0.00282 0.00086 78 4XZ 0.00000 -0.01007 -0.00279 -0.00198 -0.00467 79 4YZ 0.01078 0.01229 0.01049 0.00173 -0.00007 80 8 H 1S 0.02333 -0.03617 -0.06705 -0.00914 -0.03295 81 2S 0.06035 -0.08349 -0.30330 -0.61193 -0.55416 82 9 C 1S 0.01540 0.01252 0.04276 -0.03552 0.05562 83 2S -0.03325 -0.03730 -0.09868 0.06353 -0.11713 84 2PX 0.21253 0.14631 0.24260 -0.04331 0.03567 85 2PY 0.06649 0.02701 0.07026 -0.09702 0.10482 86 2PZ -0.19730 -0.09817 -0.23163 -0.07922 -0.06546 87 3S -0.09782 -0.00904 -0.17571 0.51316 -0.46462 88 3PX 0.16600 0.16561 0.37687 -0.06513 0.12656 89 3PY 0.06745 0.00706 0.21103 -0.23039 0.23588 90 3PZ -0.13174 -0.10720 -0.15617 -0.15868 0.12280 91 4XX -0.01089 0.00741 0.00214 -0.00634 0.01314 92 4YY -0.00048 -0.00140 0.00199 0.00073 -0.00059 93 4ZZ 0.01340 0.00072 0.00930 -0.00030 0.00214 94 4XY 0.01253 0.01300 -0.01124 -0.00282 0.00084 95 4XZ 0.00000 -0.01008 0.00279 -0.00198 0.00469 96 4YZ -0.01078 -0.01229 0.01049 -0.00173 -0.00009 97 10 H 1S 0.02329 -0.03620 0.06704 -0.00914 0.03289 98 2S 0.06027 -0.08361 0.30327 -0.61200 0.55369 99 11 H 1S 0.01004 -0.01405 0.01526 -0.03105 0.01495 100 2S 0.00748 -0.06146 0.01899 -0.43942 0.14695 101 12 H 1S 0.01006 -0.01404 -0.01526 -0.03105 -0.01495 102 2S 0.00752 -0.06145 -0.01899 -0.43941 -0.14717 103 13 C 1S -0.01253 0.00843 -0.01423 -0.05479 0.02471 104 2S 0.02810 -0.02008 0.02700 0.07344 -0.02683 105 2PX 0.04459 -0.00880 0.03098 -0.02567 -0.01189 106 2PY -0.00137 -0.02692 -0.02456 -0.06471 0.06938 107 2PZ 0.02163 -0.03616 0.04194 -0.12764 0.00592 108 3S 0.08937 -0.04312 0.14078 0.81082 -0.42712 109 3PX 0.00909 -0.01207 0.00958 -0.07745 0.03892 110 3PY -0.02199 -0.01263 -0.05870 -0.21441 0.15352 111 3PZ 0.02241 -0.05437 0.04668 -0.32513 0.01124 112 4XX -0.00535 0.01872 -0.00159 -0.00644 0.01586 113 4YY 0.00279 -0.00610 0.00038 0.00135 -0.00291 114 4ZZ 0.00248 -0.01172 -0.00115 -0.00734 -0.00782 115 4XY -0.00045 -0.00090 -0.00141 -0.00219 -0.00003 116 4XZ 0.00228 0.00405 0.00232 0.00375 0.00001 117 4YZ -0.00074 0.00588 -0.00174 -0.00940 0.00333 118 14 H 1S 0.00765 -0.02714 -0.00749 -0.03821 -0.02887 119 2S -0.00170 -0.12740 -0.03829 -0.80721 0.15978 120 15 H 1S -0.02465 0.05664 -0.00836 -0.01520 0.06051 121 2S -0.07222 0.17613 -0.08798 -0.38034 0.35361 122 16 C 1S -0.01252 0.00843 0.01423 -0.05479 -0.02467 123 2S 0.02810 -0.02007 -0.02700 0.07344 0.02677 124 2PX 0.04464 -0.00878 -0.03098 -0.02566 0.01210 125 2PY 0.00139 0.02694 -0.02455 0.06469 0.06935 126 2PZ 0.02158 -0.03615 -0.04196 -0.12765 -0.00599 127 3S 0.08928 -0.04309 -0.14079 0.81086 0.42642 128 3PX 0.00910 -0.01204 -0.00958 -0.07738 -0.03833 129 3PY 0.02201 0.01269 -0.05870 0.21434 0.15328 130 3PZ 0.02238 -0.05436 -0.04670 -0.32516 -0.01143 131 4XX -0.00536 0.01872 0.00160 -0.00644 -0.01584 132 4YY 0.00279 -0.00610 -0.00038 0.00135 0.00291 133 4ZZ 0.00249 -0.01172 0.00114 -0.00734 0.00782 134 4XY 0.00045 0.00090 -0.00141 0.00219 -0.00004 135 4XZ 0.00228 0.00405 -0.00232 0.00375 -0.00003 136 4YZ 0.00074 -0.00588 -0.00174 0.00940 0.00334 137 17 H 1S 0.00771 -0.02716 0.00748 -0.03821 0.02883 138 2S -0.00160 -0.12745 0.03823 -0.80720 -0.15985 139 18 H 1S -0.02473 0.05664 0.00839 -0.01520 -0.06042 140 2S -0.07231 0.17611 0.08806 -0.38035 -0.35242 141 19 O 1S -0.00443 0.00330 0.01724 0.00686 0.04748 142 2S 0.00537 -0.00137 -0.03496 -0.00026 -0.08538 143 2PX -0.15723 -0.03349 0.06698 0.00118 -0.01766 144 2PY 0.01652 0.00729 0.04076 0.00028 0.07654 145 2PZ 0.22771 0.08493 -0.07226 0.02207 -0.01648 146 3S 0.01804 -0.05571 -0.11882 -0.09208 -0.47736 147 3PX -0.13753 -0.02801 0.04515 0.01874 -0.09613 148 3PY 0.02173 0.02277 0.03195 -0.02891 0.13521 149 3PZ 0.18736 0.09192 -0.10363 0.03328 -0.01815 150 4XX -0.00402 -0.00161 0.01856 0.00836 0.02607 151 4YY -0.00253 0.00198 0.00010 0.00586 0.00079 152 4ZZ -0.00013 0.00502 -0.00519 0.00616 0.01171 153 4XY 0.00711 -0.00057 -0.00178 -0.00426 0.00240 154 4XZ -0.00123 0.00053 0.00292 0.00252 0.00578 155 4YZ -0.00379 0.00122 0.00134 -0.00270 -0.00049 156 20 O 1S -0.00442 0.00331 -0.01724 0.00686 -0.04751 157 2S 0.00535 -0.00139 0.03496 -0.00026 0.08544 158 2PX -0.15715 -0.03345 -0.06699 0.00119 0.01750 159 2PY -0.01654 -0.00731 0.04075 -0.00028 0.07657 160 2PZ 0.22762 0.08490 0.07228 0.02207 0.01641 161 3S 0.01799 -0.05576 0.11880 -0.09210 0.47776 162 3PX -0.13746 -0.02799 -0.04516 0.01875 0.09589 163 3PY -0.02175 -0.02278 0.03193 0.02891 0.13531 164 3PZ 0.18729 0.09188 0.10366 0.03329 0.01802 165 4XX -0.00401 -0.00160 -0.01856 0.00836 -0.02609 166 4YY -0.00254 0.00198 -0.00010 0.00586 -0.00079 167 4ZZ -0.00013 0.00502 0.00519 0.00616 -0.01172 168 4XY -0.00710 0.00057 -0.00178 0.00426 0.00240 169 4XZ -0.00123 0.00053 -0.00292 0.00252 -0.00577 170 4YZ 0.00379 -0.00122 0.00134 0.00270 -0.00049 171 21 C 1S 0.01259 0.00370 0.00000 -0.02420 -0.00001 172 2S -0.03916 -0.00990 0.00000 0.04996 0.00002 173 2PX 0.06703 -0.00600 -0.00001 -0.00155 0.00001 174 2PY -0.00002 -0.00002 0.11142 0.00000 0.23890 175 2PZ -0.05253 0.01233 0.00000 0.01881 0.00000 176 3S -0.04482 -0.01622 0.00000 0.26753 0.00011 177 3PX -0.03406 -0.01231 -0.00001 0.04387 0.00003 178 3PY -0.00002 -0.00004 0.17664 0.00000 0.61373 179 3PZ 0.02466 -0.01998 -0.00001 0.07388 -0.00001 180 4XX 0.01672 0.00258 0.00000 -0.00503 0.00000 181 4YY -0.00645 -0.00085 0.00000 -0.00201 -0.00001 182 4ZZ -0.00610 0.00135 0.00000 -0.00246 0.00000 183 4XY 0.00000 0.00000 0.01134 0.00000 0.01855 184 4XZ -0.01481 -0.00080 0.00000 -0.00336 0.00000 185 4YZ 0.00000 0.00000 -0.00442 0.00000 0.00614 186 22 H 1S -0.06861 -0.00371 0.00000 -0.01650 0.00001 187 2S -0.08055 -0.00145 0.00000 -0.25707 -0.00004 188 23 H 1S 0.10158 0.00931 0.00000 -0.00454 0.00001 189 2S 0.20299 0.04204 0.00001 -0.11450 -0.00007 46 47 48 49 50 V V V V V Eigenvalues -- 0.11268 0.11965 0.13058 0.13383 0.14566 1 1 C 1S -0.01384 0.03206 0.02476 0.00696 0.00054 2 2S 0.02305 -0.05365 -0.02325 -0.00432 0.01582 3 2PX 0.05331 -0.07398 -0.01663 0.10049 -0.15145 4 2PY 0.00396 -0.07117 -0.06043 -0.03910 -0.03836 5 2PZ 0.02447 -0.10529 -0.09648 -0.08512 0.01521 6 3S 0.16826 -0.61253 -0.45496 -0.15579 -0.26818 7 3PX 0.08496 -0.08287 -0.08803 0.10820 -0.25755 8 3PY 0.04186 -0.22517 -0.11322 0.09487 0.05008 9 3PZ 0.04914 -0.22022 -0.18103 -0.22155 0.04475 10 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 11 4YY 0.00298 -0.00255 0.00086 -0.00496 -0.00778 12 4ZZ -0.00338 0.00061 0.00590 0.00181 0.00591 13 4XY -0.00455 0.00162 0.00314 0.00428 -0.00404 14 4XZ 0.00051 0.00226 0.00385 0.00438 -0.00349 15 4YZ -0.00342 0.00883 0.01199 -0.00337 0.00295 16 2 C 1S 0.00073 0.01270 0.02934 0.03312 0.00926 17 2S -0.00704 -0.02567 -0.04278 -0.04901 -0.01062 18 2PX 0.00288 -0.05737 -0.02775 -0.10625 0.09217 19 2PY 0.03230 -0.05324 -0.09086 -0.11854 -0.12976 20 2PZ 0.02930 0.00671 0.00142 0.06320 -0.06820 21 3S 0.03734 -0.13491 -0.42113 -0.60982 -0.21403 22 3PX -0.10406 -0.09742 -0.04136 -0.20847 0.16332 23 3PY 0.12185 -0.17191 -0.28535 -0.36166 -0.41646 24 3PZ 0.08958 0.14258 0.09926 -0.05624 -0.06591 25 4XX -0.00616 -0.00254 -0.00028 0.01177 -0.00480 26 4YY 0.00152 0.00837 0.01058 -0.00097 0.00370 27 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00137 28 4XY -0.00610 -0.00277 -0.00005 -0.00301 0.01106 29 4XZ -0.00074 -0.00457 -0.00074 -0.00075 -0.00220 30 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 31 3 C 1S 0.00074 0.01270 0.02935 -0.03312 -0.00925 32 2S -0.00707 -0.02568 -0.04278 0.04902 0.01061 33 2PX 0.00268 -0.05738 -0.02776 0.10625 -0.09216 34 2PY -0.03241 0.05324 0.09086 -0.11851 -0.12977 35 2PZ 0.02946 0.00672 0.00142 -0.06321 0.06821 36 3S 0.03735 -0.13495 -0.42115 0.60985 0.21396 37 3PX -0.10424 -0.09746 -0.04139 0.20854 -0.16327 38 3PY -0.12207 0.17192 0.28539 -0.36159 -0.41646 39 3PZ 0.08993 0.14255 0.09923 0.05629 0.06591 40 4XX -0.00615 -0.00254 -0.00028 -0.01177 0.00480 41 4YY 0.00152 0.00837 0.01058 0.00097 -0.00370 42 4ZZ 0.00385 -0.00194 -0.00336 0.00411 -0.00137 43 4XY 0.00611 0.00277 0.00005 -0.00301 0.01106 44 4XZ -0.00072 -0.00457 -0.00074 0.00075 0.00220 45 4YZ -0.00886 0.00204 0.00200 -0.00260 -0.00308 46 4 C 1S -0.01382 0.03206 0.02476 -0.00695 -0.00055 47 2S 0.02300 -0.05365 -0.02325 0.00431 -0.01582 48 2PX 0.05355 -0.07398 -0.01662 -0.10051 0.15145 49 2PY -0.00399 0.07116 0.06043 -0.03908 -0.03836 50 2PZ 0.02438 -0.10530 -0.09648 0.08509 -0.01520 51 3S 0.16804 -0.61254 -0.45494 0.15555 0.26828 52 3PX 0.08537 -0.08289 -0.08802 -0.10825 0.25756 53 3PY -0.04179 0.22515 0.11317 0.09495 0.05006 54 3PZ 0.04895 -0.22027 -0.18100 0.22149 -0.04472 55 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 56 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 57 4ZZ -0.00339 0.00061 0.00590 -0.00181 -0.00591 58 4XY 0.00455 -0.00162 -0.00314 0.00428 -0.00404 59 4XZ 0.00051 0.00226 0.00385 -0.00438 0.00349 60 4YZ 0.00342 -0.00883 -0.01199 -0.00337 0.00295 61 5 H 1S -0.01648 0.02476 0.05260 0.01457 -0.00739 62 2S -0.24875 0.75334 0.57832 0.20852 0.19650 63 6 H 1S -0.01648 0.02476 0.05261 -0.01455 0.00738 64 2S -0.24867 0.75339 0.57826 -0.20827 -0.19661 65 7 C 1S 0.01705 -0.01316 -0.02092 0.03533 0.01291 66 2S -0.05196 -0.00329 0.05865 -0.04738 -0.00551 67 2PX -0.07317 -0.07867 0.02216 -0.07289 0.23358 68 2PY 0.01134 0.06192 0.03948 -0.01372 0.04603 69 2PZ -0.13409 -0.06389 -0.05429 0.17413 -0.03253 70 3S -0.07553 0.37147 0.28537 -0.59084 -0.34576 71 3PX -0.28623 -0.09068 -0.03606 0.03187 0.45482 72 3PY -0.05805 0.19987 0.14690 -0.06460 0.27750 73 3PZ -0.28772 -0.14014 -0.10159 0.54839 0.03776 74 4XX 0.00936 0.00469 -0.00385 0.00530 0.00113 75 4YY -0.01160 -0.00397 0.00450 0.00683 0.00837 76 4ZZ -0.00143 -0.00129 -0.00116 -0.00195 0.00141 77 4XY 0.01160 0.00848 0.00101 -0.00189 0.01042 78 4XZ 0.01184 0.00135 -0.00166 0.00687 -0.00628 79 4YZ 0.01586 0.00298 0.00351 0.00923 0.00109 80 8 H 1S -0.03775 -0.02222 -0.01707 0.00599 -0.02941 81 2S -0.34322 -0.46935 -0.37519 0.74629 0.07288 82 9 C 1S 0.01698 -0.01316 -0.02092 -0.03532 -0.01291 83 2S -0.05182 -0.00330 0.05865 0.04738 0.00551 84 2PX -0.07322 -0.07871 0.02216 0.07287 -0.23357 85 2PY -0.01146 -0.06190 -0.03948 -0.01372 0.04606 86 2PZ -0.13402 -0.06386 -0.05427 -0.17415 0.03256 87 3S -0.07497 0.37141 0.28531 0.59083 0.34568 88 3PX -0.28642 -0.09074 -0.03604 -0.03190 -0.45477 89 3PY 0.05779 -0.19984 -0.14690 -0.06460 0.27754 90 3PZ -0.28789 -0.14007 -0.10152 -0.54845 -0.03769 91 4XX 0.00934 0.00469 -0.00385 -0.00530 -0.00113 92 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 93 4ZZ -0.00143 -0.00129 -0.00116 0.00195 -0.00141 94 4XY -0.01160 -0.00848 -0.00101 -0.00189 0.01042 95 4XZ 0.01183 0.00135 -0.00166 -0.00686 0.00628 96 4YZ -0.01586 -0.00298 -0.00351 0.00923 0.00109 97 10 H 1S -0.03779 -0.02221 -0.01708 -0.00600 0.02942 98 2S -0.34389 -0.46926 -0.37512 -0.74636 -0.07271 99 11 H 1S 0.00516 0.02756 0.03574 0.00927 -0.03400 100 2S -0.10598 0.34537 0.59687 -0.69726 -0.59357 101 12 H 1S 0.00518 0.02757 0.03575 -0.00927 0.03400 102 2S -0.10572 0.34534 0.59682 0.69733 0.59360 103 13 C 1S 0.03717 -0.00444 -0.00012 -0.05304 0.02586 104 2S -0.04920 -0.01089 -0.00892 0.03704 -0.04196 105 2PX 0.17728 0.00087 0.01684 -0.01346 -0.01039 106 2PY 0.03659 -0.02102 -0.01264 -0.02201 -0.05923 107 2PZ -0.04592 -0.09440 -0.03330 -0.12574 0.01919 108 3S -0.60840 0.20203 0.10602 1.06631 -0.28364 109 3PX 0.50174 0.04393 0.02170 -0.03303 0.03857 110 3PY 0.19694 -0.09725 -0.09897 0.15690 -0.09417 111 3PZ -0.14734 -0.25348 -0.09430 -0.36942 0.11250 112 4XX 0.01384 -0.00187 -0.00191 0.00088 -0.00496 113 4YY -0.00151 -0.00271 -0.00097 -0.00549 0.01002 114 4ZZ -0.00321 0.00171 0.00366 -0.00710 0.00089 115 4XY 0.01042 0.00389 0.00526 -0.00117 0.00028 116 4XZ -0.00729 0.00488 0.00346 0.00107 -0.00276 117 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 118 14 H 1S -0.03525 -0.01134 0.00885 -0.01976 0.00599 119 2S -0.07457 -0.38622 -0.13292 -0.74433 0.17923 120 15 H 1S 0.07118 0.00059 -0.00345 0.00930 -0.01437 121 2S 1.01662 0.05260 0.03064 -0.22175 0.01430 122 16 C 1S 0.03720 -0.00445 -0.00013 0.05304 -0.02586 123 2S -0.04924 -0.01088 -0.00891 -0.03704 0.04197 124 2PX 0.17727 0.00089 0.01685 0.01342 0.01039 125 2PY -0.03670 0.02100 0.01263 -0.02198 -0.05923 126 2PZ -0.04588 -0.09443 -0.03333 0.12573 -0.01916 127 3S -0.60894 0.20225 0.10620 -1.06616 0.28367 128 3PX 0.50183 0.04399 0.02175 0.03292 -0.03857 129 3PY -0.19721 0.09719 0.09894 0.15700 -0.09417 130 3PZ -0.14715 -0.25356 -0.09438 0.36938 -0.11246 131 4XX 0.01386 -0.00187 -0.00191 -0.00088 0.00496 132 4YY -0.00151 -0.00272 -0.00097 0.00549 -0.01002 133 4ZZ -0.00322 0.00171 0.00367 0.00710 -0.00089 134 4XY -0.01042 -0.00389 -0.00526 -0.00117 0.00028 135 4XZ -0.00728 0.00488 0.00346 -0.00107 0.00276 136 4YZ 0.00676 0.00113 -0.00426 0.00405 -0.00401 137 17 H 1S -0.03528 -0.01134 0.00884 0.01977 -0.00600 138 2S -0.07429 -0.38637 -0.13307 0.74426 -0.17921 139 18 H 1S 0.07125 0.00059 -0.00345 -0.00931 0.01437 140 2S 1.01708 0.05259 0.03065 0.22161 -0.01433 141 19 O 1S -0.03295 0.00749 0.00926 0.00799 0.05795 142 2S 0.05662 -0.01016 0.00260 -0.00240 -0.07431 143 2PX -0.12574 -0.01543 -0.02866 -0.00988 -0.13114 144 2PY -0.04966 0.00428 0.01263 -0.00671 0.06195 145 2PZ -0.06869 -0.01378 0.01910 -0.07479 0.03522 146 3S 0.38844 -0.12539 -0.13514 -0.15732 -0.76443 147 3PX -0.19653 0.02360 -0.07920 0.00787 -0.18148 148 3PY -0.11240 0.04962 0.01412 0.04134 0.18705 149 3PZ -0.12236 0.03478 0.01694 -0.09065 0.05694 150 4XX -0.01112 -0.00457 0.01304 0.00730 0.02296 151 4YY -0.00518 -0.00070 0.00834 0.00478 0.01415 152 4ZZ -0.00700 0.00600 0.00611 -0.00120 0.02700 153 4XY 0.00013 -0.00287 -0.00520 -0.00271 0.00141 154 4XZ 0.00288 -0.00842 0.00777 -0.00385 0.00705 155 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00258 156 20 O 1S -0.03290 0.00748 0.00927 -0.00799 -0.05794 157 2S 0.05652 -0.01015 0.00260 0.00241 0.07430 158 2PX -0.12576 -0.01542 -0.02867 0.00986 0.13114 159 2PY 0.04957 -0.00426 -0.01263 -0.00671 0.06191 160 2PZ -0.06871 -0.01380 0.01909 0.07478 -0.03522 161 3S 0.38793 -0.12530 -0.13519 0.15736 0.76435 162 3PX -0.19665 0.02363 -0.07920 -0.00790 0.18147 163 3PY 0.11225 -0.04960 -0.01412 0.04135 0.18699 164 3PZ -0.12238 0.03476 0.01693 0.09064 -0.05693 165 4XX -0.01109 -0.00457 0.01304 -0.00731 -0.02296 166 4YY -0.00518 -0.00070 0.00834 -0.00478 -0.01415 167 4ZZ -0.00699 0.00600 0.00611 0.00120 -0.02700 168 4XY -0.00013 0.00287 0.00520 -0.00271 0.00141 169 4XZ 0.00289 -0.00842 0.00777 0.00385 -0.00706 170 4YZ -0.00217 0.00110 -0.00023 -0.00053 -0.00258 171 21 C 1S -0.00316 0.05428 -0.10122 0.00000 -0.00001 172 2S 0.00896 -0.08098 0.16327 0.00000 0.00001 173 2PX 0.02711 -0.21284 0.19168 0.00000 0.00000 174 2PY -0.00013 0.00002 -0.00001 0.06781 0.30594 175 2PZ 0.00869 -0.11626 0.03259 -0.00001 -0.00001 176 3S 0.06202 -0.97846 1.52602 0.00001 0.00011 177 3PX 0.06519 -0.63862 0.48904 0.00000 0.00001 178 3PY -0.00035 0.00004 -0.00001 0.13619 0.81915 179 3PZ 0.00321 -0.33969 0.10244 -0.00002 -0.00001 180 4XX 0.00533 0.00214 -0.00665 0.00000 0.00000 181 4YY -0.00963 -0.00043 -0.00381 0.00000 0.00000 182 4ZZ 0.00111 0.01277 -0.01111 0.00000 0.00000 183 4XY -0.00001 0.00000 0.00000 0.00363 0.01786 184 4XZ 0.00215 -0.00488 0.00182 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 -0.00547 0.01540 186 22 H 1S 0.02151 0.03790 -0.05357 0.00000 0.00000 187 2S -0.02164 1.01262 -0.97455 0.00002 -0.00004 188 23 H 1S 0.01689 0.04024 -0.03995 0.00000 0.00000 189 2S -0.05522 0.79019 -1.13744 -0.00002 -0.00008 51 52 53 54 55 V V V V V Eigenvalues -- 0.15451 0.16965 0.17165 0.17519 0.18002 1 1 C 1S -0.01638 -0.04667 -0.02158 0.03045 0.01229 2 2S 0.01240 0.06376 0.03359 -0.05119 0.02412 3 2PX 0.00407 0.02736 -0.01579 0.00054 -0.03378 4 2PY 0.03524 0.05582 0.03160 -0.05934 -0.03638 5 2PZ 0.00910 0.08515 0.00791 -0.01684 -0.08869 6 3S 0.32946 0.90908 0.32052 -0.52038 -0.33667 7 3PX 0.03708 0.13776 -0.00784 0.02158 -0.08920 8 3PY 0.18545 0.00791 0.13086 -0.27135 -0.13038 9 3PZ 0.03137 0.32731 -0.01910 -0.02331 -0.14672 10 4XX 0.00118 -0.00187 -0.00199 0.00391 -0.00258 11 4YY 0.00075 0.00016 0.00344 -0.00457 0.00514 12 4ZZ -0.00531 -0.00328 -0.00518 0.00216 0.00789 13 4XY -0.00299 0.00103 0.00293 -0.00875 0.00001 14 4XZ -0.00500 -0.00127 -0.00382 0.00320 0.00111 15 4YZ 0.00219 0.00103 -0.00155 -0.00329 0.00656 16 2 C 1S 0.03876 -0.02858 0.04011 -0.07660 -0.01476 17 2S -0.06679 0.02461 -0.04731 0.08634 0.03577 18 2PX -0.03503 0.03416 0.03609 -0.11281 -0.00569 19 2PY -0.03051 0.14309 -0.00853 0.06738 0.00101 20 2PZ 0.03286 -0.05722 0.03565 -0.03707 -0.02025 21 3S -0.55917 0.60950 -0.70132 1.35327 0.17862 22 3PX -0.14152 0.00679 0.14202 -0.28889 -0.01981 23 3PY -0.20850 0.38625 0.01332 0.23094 0.04159 24 3PZ 0.02802 -0.27381 0.09470 -0.10224 -0.03397 25 4XX 0.00245 -0.00113 0.00289 -0.00415 -0.01038 26 4YY -0.00340 -0.00826 -0.00322 -0.00280 0.00551 27 4ZZ 0.00726 0.00252 0.00817 -0.00837 0.00292 28 4XY -0.00531 -0.00537 -0.00067 -0.00396 -0.00650 29 4XZ 0.00004 0.00374 0.00168 -0.00431 0.00254 30 4YZ 0.00441 -0.00873 0.00160 -0.00135 -0.00440 31 3 C 1S 0.03875 0.02867 0.04006 -0.07659 -0.01475 32 2S -0.06678 -0.02472 -0.04727 0.08633 0.03576 33 2PX -0.03500 -0.03410 0.03616 -0.11282 -0.00569 34 2PY 0.03047 0.14312 0.00831 -0.06735 -0.00100 35 2PZ 0.03283 0.05729 0.03556 -0.03704 -0.02025 36 3S -0.55895 -0.61114 -0.70039 1.35304 0.17857 37 3PX -0.14149 -0.00655 0.14206 -0.28889 -0.01984 38 3PY 0.20840 0.38637 -0.01391 -0.23085 -0.04150 39 3PZ 0.02795 0.27399 0.09426 -0.10210 -0.03395 40 4XX 0.00244 0.00113 0.00289 -0.00415 -0.01038 41 4YY -0.00340 0.00825 -0.00323 -0.00280 0.00551 42 4ZZ 0.00726 -0.00250 0.00818 -0.00837 0.00292 43 4XY 0.00531 -0.00537 0.00067 0.00396 0.00650 44 4XZ 0.00004 -0.00373 0.00169 -0.00431 0.00254 45 4YZ -0.00441 -0.00873 -0.00159 0.00135 0.00440 46 4 C 1S -0.01639 0.04662 -0.02165 0.03047 0.01229 47 2S 0.01241 -0.06369 0.03368 -0.05121 0.02412 48 2PX 0.00405 -0.02739 -0.01576 0.00053 -0.03377 49 2PY -0.03526 0.05574 -0.03169 0.05935 0.03638 50 2PZ 0.00914 -0.08513 0.00804 -0.01688 -0.08870 51 3S 0.32962 -0.90836 0.32190 -0.52071 -0.33674 52 3PX 0.03709 -0.13776 -0.00766 0.02151 -0.08920 53 3PY -0.18547 0.00756 -0.13086 0.27135 0.13033 54 3PZ 0.03149 -0.32733 -0.01862 -0.02344 -0.14670 55 4XX 0.00118 0.00186 -0.00199 0.00391 -0.00258 56 4YY 0.00075 -0.00015 0.00344 -0.00457 0.00514 57 4ZZ -0.00531 0.00327 -0.00519 0.00216 0.00789 58 4XY 0.00299 0.00103 -0.00293 0.00875 -0.00001 59 4XZ -0.00500 0.00126 -0.00382 0.00320 0.00111 60 4YZ -0.00219 0.00103 0.00155 0.00329 -0.00656 61 5 H 1S -0.01827 -0.02218 -0.02945 0.00961 0.03452 62 2S -0.27513 -0.76910 -0.23362 0.42943 0.44772 63 6 H 1S -0.01828 0.02212 -0.02949 0.00961 0.03452 64 2S -0.27531 0.76854 -0.23475 0.42970 0.44771 65 7 C 1S -0.02120 0.02742 0.02069 -0.01732 0.04298 66 2S 0.02515 -0.04259 -0.03561 0.03956 -0.05433 67 2PX 0.12077 0.09869 -0.00920 0.09306 -0.01687 68 2PY 0.00866 0.00997 -0.05545 0.04548 -0.10252 69 2PZ 0.16115 0.05957 0.03299 0.09171 0.04324 70 3S 0.21093 -0.33545 -0.28777 0.16545 -0.81931 71 3PX 0.35933 0.27936 -0.01194 0.20671 -0.05429 72 3PY 0.10538 -0.11309 -0.09436 0.06272 -0.41608 73 3PZ 0.38979 0.26571 0.08932 0.18704 0.11561 74 4XX -0.00626 0.00131 0.00263 -0.00338 0.00194 75 4YY 0.00762 0.01122 0.00106 0.00394 -0.00580 76 4ZZ -0.00235 0.00077 0.00287 0.00047 0.00628 77 4XY -0.00771 0.00446 -0.00420 -0.01254 0.00309 78 4XZ -0.01025 -0.00107 0.00209 -0.00986 0.01423 79 4YZ -0.02215 0.00518 0.00049 -0.01221 -0.00690 80 8 H 1S 0.04302 0.00062 0.02146 0.03364 0.07034 81 2S 0.40015 0.48732 0.35843 0.12573 0.82423 82 9 C 1S -0.02120 -0.02739 0.02074 -0.01733 0.04300 83 2S 0.02515 0.04253 -0.03568 0.03958 -0.05435 84 2PX 0.12082 -0.09872 -0.00903 0.09304 -0.01690 85 2PY -0.00866 0.01008 0.05543 -0.04548 0.10255 86 2PZ 0.16114 -0.05952 0.03309 0.09168 0.04326 87 3S 0.21093 0.33500 -0.28837 0.16562 -0.81947 88 3PX 0.35942 -0.27938 -0.01146 0.20661 -0.05431 89 3PY -0.10537 -0.11296 0.09452 -0.06275 0.41612 90 3PZ 0.38977 -0.26555 0.08978 0.18692 0.11571 91 4XX -0.00626 -0.00131 0.00263 -0.00338 0.00194 92 4YY 0.00762 -0.01122 0.00108 0.00394 -0.00580 93 4ZZ -0.00235 -0.00077 0.00288 0.00046 0.00628 94 4XY 0.00771 0.00446 0.00419 0.01254 -0.00308 95 4XZ -0.01025 0.00107 0.00209 -0.00986 0.01423 96 4YZ 0.02215 0.00518 -0.00050 0.01222 0.00690 97 10 H 1S 0.04302 -0.00060 0.02146 0.03364 0.07034 98 2S 0.40015 -0.48674 0.35925 0.12553 0.82442 99 11 H 1S -0.00681 0.05584 -0.00745 -0.03198 0.01184 100 2S 0.46482 0.83312 0.25523 -0.79419 -0.11456 101 12 H 1S -0.00681 -0.05585 -0.00736 -0.03199 0.01183 102 2S 0.46506 -0.83234 0.25652 -0.79445 -0.11471 103 13 C 1S -0.01074 -0.05990 -0.03673 0.05103 -0.02087 104 2S 0.02906 0.06975 0.04087 -0.04432 0.02060 105 2PX 0.16777 -0.00196 0.04064 0.02762 -0.05111 106 2PY 0.01193 0.10928 -0.04034 0.07654 -0.03206 107 2PZ -0.10792 -0.02452 -0.01908 -0.08719 -0.11749 108 3S 0.06450 0.95841 0.64185 -0.93518 0.43652 109 3PX 0.38117 0.03181 0.19217 -0.05690 -0.02932 110 3PY -0.08438 0.26300 -0.22633 0.37265 -0.11597 111 3PZ -0.28516 -0.12401 0.02782 -0.31546 -0.33901 112 4XX -0.00287 0.00091 -0.00004 0.00075 0.00761 113 4YY 0.00658 -0.01881 0.00261 -0.00026 -0.00021 114 4ZZ -0.00428 0.00747 -0.00907 0.01054 -0.01175 115 4XY 0.00818 0.00200 0.00510 -0.00843 -0.00144 116 4XZ -0.00306 0.00184 -0.00618 0.00951 0.00331 117 4YZ -0.00235 0.00192 0.00156 -0.01453 -0.00899 118 14 H 1S -0.02561 0.01223 -0.01916 -0.01215 -0.06973 119 2S -0.58087 -0.31342 -0.39244 0.08086 -0.69660 120 15 H 1S 0.02813 -0.00540 0.02548 -0.01992 0.02741 121 2S 0.59849 -0.20451 -0.04671 0.47492 -0.12250 122 16 C 1S -0.01074 0.05983 -0.03682 0.05105 -0.02086 123 2S 0.02907 -0.06967 0.04097 -0.04434 0.02059 124 2PX 0.16778 0.00206 0.04064 0.02761 -0.05110 125 2PY -0.01196 0.10936 0.04018 -0.07654 0.03207 126 2PZ -0.10789 0.02448 -0.01911 -0.08717 -0.11748 127 3S 0.06458 -0.95715 0.64325 -0.93542 0.43642 128 3PX 0.38124 -0.03140 0.19220 -0.05691 -0.02929 129 3PY 0.08436 0.26348 0.22596 -0.37267 0.11596 130 3PZ -0.28509 0.12404 0.02767 -0.31537 -0.33894 131 4XX -0.00287 -0.00092 -0.00004 0.00075 0.00761 132 4YY 0.00658 0.01881 0.00259 -0.00025 -0.00021 133 4ZZ -0.00428 -0.00749 -0.00906 0.01053 -0.01175 134 4XY -0.00818 0.00198 -0.00511 0.00843 0.00144 135 4XZ -0.00306 -0.00185 -0.00618 0.00951 0.00332 136 4YZ 0.00235 0.00191 -0.00156 0.01453 0.00899 137 17 H 1S -0.02560 -0.01226 -0.01914 -0.01214 -0.06973 138 2S -0.58087 0.31267 -0.39287 0.08099 -0.69648 139 18 H 1S 0.02812 0.00544 0.02547 -0.01992 0.02740 140 2S 0.59846 0.20446 -0.04705 0.47493 -0.12253 141 19 O 1S 0.04129 0.02956 0.00049 0.02128 -0.06014 142 2S -0.06296 -0.02368 -0.00528 -0.03269 0.07900 143 2PX 0.14670 -0.09042 -0.05068 0.07107 0.00159 144 2PY 0.05485 0.04952 0.02083 0.03340 -0.15637 145 2PZ 0.06709 -0.00661 0.04658 0.10613 -0.04966 146 3S -0.52610 -0.45468 -0.01282 -0.27141 0.82250 147 3PX 0.28359 -0.11368 -0.10725 0.12229 -0.00575 148 3PY 0.13707 0.13209 0.05264 0.05433 -0.33442 149 3PZ 0.11167 -0.02671 0.11811 0.18262 -0.11774 150 4XX 0.01229 0.01949 -0.00117 0.01187 -0.02083 151 4YY 0.00954 0.01027 0.00075 0.00215 -0.01447 152 4ZZ 0.01409 0.01684 -0.00637 0.00637 -0.02862 153 4XY 0.00208 0.00138 -0.00254 0.00072 0.01102 154 4XZ -0.00269 0.00320 -0.00602 0.00124 0.00633 155 4YZ -0.00644 -0.00312 0.00907 0.00285 0.00411 156 20 O 1S 0.04129 -0.02955 0.00054 0.02127 -0.06015 157 2S -0.06297 0.02366 -0.00532 -0.03268 0.07902 158 2PX 0.14667 0.09033 -0.05084 0.07110 0.00159 159 2PY -0.05487 0.04944 -0.02091 -0.03339 0.15639 160 2PZ 0.06710 0.00665 0.04657 0.10614 -0.04968 161 3S -0.52621 0.45451 -0.01361 -0.27127 0.82262 162 3PX 0.28356 0.11349 -0.10745 0.12232 -0.00573 163 3PY -0.13710 0.13191 -0.05287 -0.05429 0.33446 164 3PZ 0.11168 0.02684 0.11808 0.18263 -0.11775 165 4XX 0.01229 -0.01949 -0.00114 0.01186 -0.02083 166 4YY 0.00954 -0.01027 0.00076 0.00215 -0.01447 167 4ZZ 0.01410 -0.01685 -0.00634 0.00637 -0.02862 168 4XY -0.00208 0.00139 0.00254 -0.00072 -0.01101 169 4XZ -0.00268 -0.00321 -0.00602 0.00124 0.00633 170 4YZ 0.00644 -0.00313 -0.00906 -0.00285 -0.00411 171 21 C 1S 0.00448 -0.00002 -0.00742 -0.00631 0.07047 172 2S -0.01556 0.00002 0.00241 -0.00616 -0.10513 173 2PX -0.07327 0.00005 0.12422 0.12101 0.19814 174 2PY -0.00002 0.17784 -0.00015 0.00003 0.00001 175 2PZ 0.13024 -0.00029 -0.41325 -0.16552 0.12588 176 3S -0.06045 0.00022 0.09706 0.12800 -0.79485 177 3PX -0.17864 0.00010 0.28611 0.24426 0.66020 178 3PY -0.00006 0.51176 -0.00044 0.00008 0.00007 179 3PZ 0.35658 -0.00076 -1.09122 -0.39801 0.46939 180 4XX -0.00247 0.00000 -0.00339 -0.00690 0.01579 181 4YY 0.00944 -0.00001 -0.00478 0.00669 0.00932 182 4ZZ -0.00309 0.00001 0.00819 -0.00365 -0.01766 183 4XY 0.00000 0.01324 -0.00001 0.00000 0.00000 184 4XZ -0.00537 0.00000 0.00771 0.00050 0.01196 185 4YZ 0.00000 0.00807 -0.00001 0.00000 0.00000 186 22 H 1S -0.04091 0.00005 0.06371 -0.01909 -0.02197 187 2S -0.43822 0.00087 1.33758 0.40714 -0.24645 188 23 H 1S -0.00238 -0.00003 -0.04748 -0.03540 0.00266 189 2S 0.48079 -0.00087 -1.27609 -0.69191 0.15241 56 57 58 59 60 V V V V V Eigenvalues -- 0.19724 0.20300 0.21251 0.24290 0.24319 1 1 C 1S 0.01357 0.08144 0.00853 -0.01346 -0.00892 2 2S -0.01510 -0.15594 -0.01268 0.02831 0.01005 3 2PX -0.01892 -0.06569 -0.04562 0.04085 -0.11686 4 2PY 0.02536 -0.03854 -0.02354 0.10160 -0.06131 5 2PZ 0.03704 -0.07641 -0.03237 0.09064 -0.09047 6 3S -0.07324 -0.80296 -0.24605 0.49057 0.29707 7 3PX -0.09676 -0.45275 -0.04773 0.27452 -0.33412 8 3PY 0.04508 -0.40566 -0.14584 0.40817 -0.31338 9 3PZ 0.02028 -0.68197 -0.06204 0.41222 -0.47747 10 4XX 0.00275 -0.00136 0.00256 -0.00208 -0.00239 11 4YY 0.00809 0.01527 -0.00033 -0.00927 -0.00681 12 4ZZ -0.00074 0.00357 -0.00316 0.01504 0.00906 13 4XY -0.00094 -0.00451 -0.00132 -0.00565 -0.00499 14 4XZ 0.00206 -0.00025 -0.00112 0.00852 -0.00087 15 4YZ -0.00087 -0.00605 -0.00086 0.00946 -0.00347 16 2 C 1S -0.00057 -0.05802 -0.01863 -0.03470 -0.01149 17 2S 0.01447 0.11049 0.02461 0.04158 0.03786 18 2PX -0.00344 0.02137 -0.01890 -0.15790 0.02822 19 2PY 0.07824 0.07860 0.04650 -0.20947 -0.05610 20 2PZ 0.04758 0.00389 -0.00187 -0.12861 -0.03705 21 3S -0.01043 0.53229 0.30052 0.60543 -0.08061 22 3PX 0.26922 0.18458 0.08912 -0.65786 0.03075 23 3PY 0.34008 0.71468 0.20151 -1.02045 -0.14733 24 3PZ 0.01905 0.06261 0.07264 -0.59219 -0.44214 25 4XX 0.00408 -0.00398 -0.00437 -0.00472 0.00316 26 4YY -0.00064 0.00246 -0.00223 -0.00068 -0.00228 27 4ZZ -0.00293 -0.01010 0.00200 0.00087 -0.00224 28 4XY 0.00897 0.00172 -0.00236 -0.00645 -0.00669 29 4XZ -0.00161 -0.00982 -0.00093 0.00057 0.00080 30 4YZ 0.00412 0.00893 -0.00325 -0.00339 -0.02065 31 3 C 1S 0.00058 0.05802 -0.01865 -0.03488 0.01100 32 2S -0.01447 -0.11048 0.02463 0.04214 -0.03726 33 2PX 0.00345 -0.02138 -0.01889 -0.15749 -0.03050 34 2PY 0.07824 0.07859 -0.04655 0.21026 -0.05308 35 2PZ -0.04759 -0.00389 -0.00186 -0.12918 0.03517 36 3S 0.01026 -0.53218 0.30072 0.60468 0.08917 37 3PX -0.26916 -0.18460 0.08920 -0.65745 -0.04027 38 3PY 0.34001 0.71465 -0.20175 1.02250 -0.13266 39 3PZ -0.01901 -0.06260 0.07267 -0.59856 0.43346 40 4XX -0.00408 0.00397 -0.00437 -0.00467 -0.00323 41 4YY 0.00064 -0.00246 -0.00223 -0.00071 0.00227 42 4ZZ 0.00293 0.01009 0.00200 0.00083 0.00225 43 4XY 0.00897 0.00172 0.00236 0.00654 -0.00660 44 4XZ 0.00161 0.00982 -0.00094 0.00058 -0.00079 45 4YZ 0.00412 0.00893 0.00325 0.00369 -0.02060 46 4 C 1S -0.01357 -0.08144 0.00856 -0.01359 0.00872 47 2S 0.01509 0.15593 -0.01272 0.02847 -0.00965 48 2PX 0.01891 0.06568 -0.04565 0.03918 0.11746 49 2PY 0.02537 -0.03853 0.02354 -0.10065 -0.06277 50 2PZ -0.03706 0.07641 -0.03240 0.08939 0.09175 51 3S 0.07322 0.80289 -0.24632 0.49500 -0.28979 52 3PX 0.09670 0.45279 -0.04791 0.26984 0.33806 53 3PY 0.04511 -0.40556 0.14593 -0.40342 -0.31923 54 3PZ -0.02034 0.68200 -0.06225 0.40561 0.48328 55 4XX -0.00275 0.00136 0.00256 -0.00212 0.00236 56 4YY -0.00810 -0.01527 -0.00033 -0.00937 0.00667 57 4ZZ 0.00073 -0.00357 -0.00316 0.01517 -0.00884 58 4XY -0.00094 -0.00451 0.00132 0.00572 -0.00490 59 4XZ -0.00206 0.00025 -0.00112 0.00851 0.00100 60 4YZ -0.00087 -0.00605 0.00086 -0.00941 -0.00361 61 5 H 1S -0.00210 0.04002 -0.00955 0.03894 0.01465 62 2S -0.01987 1.34342 0.25758 -0.77730 0.66802 63 6 H 1S 0.00210 -0.04002 -0.00955 0.03916 -0.01409 64 2S 0.01996 -1.34339 0.25798 -0.76786 -0.67914 65 7 C 1S 0.05191 0.00386 0.04855 0.01495 -0.01195 66 2S -0.07145 -0.03032 -0.09896 -0.03166 0.03520 67 2PX -0.05300 0.04201 -0.06705 -0.04176 0.02926 68 2PY -0.01397 -0.02037 -0.14944 -0.03613 0.03077 69 2PZ 0.14408 -0.00063 0.03276 -0.03337 -0.03732 70 3S -0.84152 0.21155 -0.67239 -0.15753 0.05382 71 3PX 0.08801 0.06382 -0.07678 0.00411 0.09250 72 3PY -0.06119 -0.31900 -0.25513 -0.04343 0.19819 73 3PZ 0.42815 0.03401 0.02924 -0.02725 -0.11233 74 4XX 0.00322 0.00275 0.00242 0.00304 -0.00191 75 4YY 0.01198 0.00214 0.00277 -0.00135 0.00171 76 4ZZ 0.00083 -0.00234 0.00044 0.00117 0.00063 77 4XY -0.00185 0.00137 0.01313 0.00720 -0.00068 78 4XZ 0.00345 0.00008 0.00096 0.00151 -0.00570 79 4YZ 0.00719 0.00171 0.00855 0.00373 -0.00256 80 8 H 1S 0.02919 0.00181 -0.02290 -0.00246 -0.01256 81 2S 0.86412 0.15953 0.60022 0.08722 -0.27093 82 9 C 1S -0.05190 -0.00385 0.04857 0.01474 0.01216 83 2S 0.07144 0.03028 -0.09898 -0.03110 -0.03564 84 2PX 0.05300 -0.04202 -0.06702 -0.04129 -0.02986 85 2PY -0.01395 -0.02033 0.14944 0.03569 0.03128 86 2PZ -0.14409 0.00064 0.03282 -0.03398 0.03681 87 3S 0.84144 -0.21171 -0.67253 -0.15624 -0.05594 88 3PX -0.08803 -0.06383 -0.07667 0.00539 -0.09246 89 3PY -0.06115 -0.31895 0.25525 0.04064 0.19874 90 3PZ -0.42815 -0.03399 0.02942 -0.02917 0.11190 91 4XX -0.00322 -0.00274 0.00243 0.00301 0.00195 92 4YY -0.01198 -0.00214 0.00277 -0.00133 -0.00173 93 4ZZ -0.00083 0.00234 0.00044 0.00118 -0.00062 94 4XY -0.00185 0.00137 -0.01313 -0.00719 -0.00078 95 4XZ -0.00345 -0.00008 0.00096 0.00143 0.00572 96 4YZ 0.00719 0.00171 -0.00855 -0.00369 -0.00261 97 10 H 1S -0.02919 -0.00183 -0.02290 -0.00267 0.01252 98 2S -0.86405 -0.15937 0.60053 0.08283 0.27199 99 11 H 1S -0.00845 0.03282 -0.01910 0.00846 0.02693 100 2S 0.36715 1.00398 -0.35772 0.93386 -0.05851 101 12 H 1S 0.00845 -0.03282 -0.01908 0.00881 -0.02681 102 2S -0.36714 -1.00404 -0.35734 0.93292 0.07195 103 13 C 1S 0.09118 -0.02792 -0.00938 0.04491 -0.05443 104 2S -0.06291 0.07104 0.00253 -0.02874 0.06275 105 2PX 0.17533 -0.00052 -0.02547 -0.10126 0.20077 106 2PY -0.03146 -0.07779 -0.01902 0.03572 0.25444 107 2PZ -0.05799 -0.00879 -0.05160 -0.06813 -0.02427 108 3S -1.81722 0.05416 0.24797 -0.99234 0.89725 109 3PX 0.49523 -0.16658 0.04090 -0.65006 0.80628 110 3PY -0.46510 -0.46367 -0.02936 0.22656 1.08908 111 3PZ -0.37410 -0.19097 -0.10875 -0.64371 -0.06788 112 4XX 0.00349 -0.00390 0.00460 0.00992 0.00607 113 4YY 0.01318 -0.00021 -0.00162 -0.00154 -0.02275 114 4ZZ 0.00485 -0.00575 -0.00570 0.00008 0.00881 115 4XY -0.00358 0.00078 -0.00328 -0.00834 -0.00654 116 4XZ 0.00232 -0.00509 -0.00017 0.02504 -0.00633 117 4YZ 0.00325 0.00258 -0.00857 -0.01162 -0.00228 118 14 H 1S -0.00074 -0.02880 -0.03635 -0.07077 0.02542 119 2S 0.04329 -0.42284 -0.30468 -0.11465 -0.15154 120 15 H 1S 0.00809 -0.01986 0.01887 -0.04191 0.04891 121 2S 1.16687 -0.37620 -0.02318 -0.14368 0.96292 122 16 C 1S -0.09118 0.02792 -0.00939 0.04411 0.05508 123 2S 0.06291 -0.07104 0.00255 -0.02782 -0.06317 124 2PX -0.17533 0.00051 -0.02549 -0.09828 -0.20221 125 2PY -0.03144 -0.07778 0.01901 -0.03927 0.25390 126 2PZ 0.05797 0.00878 -0.05157 -0.06859 0.02323 127 3S 1.81738 -0.05410 0.24799 -0.97901 -0.91156 128 3PX -0.49520 0.16656 0.04079 -0.63791 -0.81556 129 3PY -0.46500 -0.46364 0.02939 -0.24188 1.08567 130 3PZ 0.37415 0.19100 -0.10869 -0.64505 0.05842 131 4XX -0.00349 0.00390 0.00460 0.01000 -0.00593 132 4YY -0.01318 0.00021 -0.00162 -0.00186 0.02273 133 4ZZ -0.00485 0.00575 -0.00570 0.00020 -0.00880 134 4XY -0.00358 0.00078 0.00328 0.00844 -0.00642 135 4XZ -0.00232 0.00509 -0.00017 0.02494 0.00669 136 4YZ 0.00325 0.00259 0.00857 0.01165 -0.00212 137 17 H 1S 0.00074 0.02879 -0.03635 -0.07043 -0.02644 138 2S -0.04335 0.42275 -0.30462 -0.11764 0.14996 139 18 H 1S -0.00808 0.01987 0.01887 -0.04121 -0.04952 140 2S -1.16687 0.37620 -0.02339 -0.12961 -0.96487 141 19 O 1S -0.00301 0.00578 0.03321 -0.00514 -0.00184 142 2S 0.00956 -0.00169 -0.03136 0.02454 -0.00467 143 2PX -0.00779 -0.03865 -0.16265 -0.06712 0.05170 144 2PY -0.02380 0.01754 0.21560 0.02136 -0.01290 145 2PZ -0.04721 -0.01214 -0.13277 -0.01081 0.03855 146 3S 0.00454 -0.11751 -0.53470 -0.00004 0.04987 147 3PX 0.00148 -0.06969 -0.31827 -0.08632 0.08102 148 3PY -0.00399 0.06800 0.47985 0.03434 -0.04597 149 3PZ -0.07388 -0.01846 -0.23585 -0.02611 0.07540 150 4XX 0.00325 0.00254 0.00765 -0.00201 -0.00453 151 4YY 0.00283 -0.00024 0.01361 0.00678 -0.00177 152 4ZZ -0.00685 0.00603 0.01906 0.00285 -0.00110 153 4XY -0.00372 0.00213 -0.00368 -0.00087 -0.00091 154 4XZ -0.00372 0.00092 -0.01160 -0.00227 0.00074 155 4YZ -0.00212 0.00105 -0.00748 -0.00185 -0.00037 156 20 O 1S 0.00301 -0.00577 0.03323 -0.00517 0.00176 157 2S -0.00955 0.00167 -0.03137 0.02446 0.00502 158 2PX 0.00778 0.03860 -0.16268 -0.06637 -0.05266 159 2PY -0.02379 0.01746 -0.21561 -0.02119 -0.01321 160 2PZ 0.04720 0.01211 -0.13278 -0.01022 -0.03871 161 3S -0.00450 0.11728 -0.53496 0.00069 -0.04990 162 3PX -0.00151 0.06959 -0.31833 -0.08519 -0.08225 163 3PY -0.00398 0.06782 -0.47993 -0.03370 -0.04645 164 3PZ 0.07385 0.01841 -0.23588 -0.02499 -0.07576 165 4XX -0.00325 -0.00254 0.00766 -0.00207 0.00451 166 4YY -0.00283 0.00025 0.01361 0.00675 0.00186 167 4ZZ 0.00685 -0.00603 0.01907 0.00284 0.00114 168 4XY -0.00372 0.00213 0.00367 0.00088 -0.00090 169 4XZ 0.00372 -0.00093 -0.01160 -0.00226 -0.00077 170 4YZ -0.00212 0.00105 0.00748 0.00186 -0.00034 171 21 C 1S 0.00000 -0.00002 -0.11819 -0.00799 -0.00006 172 2S 0.00000 0.00003 0.18984 0.02421 0.00017 173 2PX 0.00000 -0.00005 -0.23620 -0.03424 -0.00025 174 2PY 0.02595 0.03022 -0.00002 0.00043 -0.05934 175 2PZ 0.00000 -0.00001 0.00881 -0.04432 -0.00032 176 3S 0.00001 0.00025 1.61133 0.09488 0.00069 177 3PX 0.00000 -0.00016 -0.92938 -0.05213 -0.00039 178 3PY -0.01403 0.21541 -0.00015 0.00142 -0.20290 179 3PZ 0.00001 -0.00005 -0.10534 -0.11785 -0.00086 180 4XX 0.00000 0.00000 -0.00113 0.00294 0.00002 181 4YY 0.00000 0.00000 -0.02811 -0.00801 -0.00006 182 4ZZ 0.00000 0.00001 0.02830 0.00730 0.00005 183 4XY -0.00036 0.00227 0.00000 0.00004 -0.00526 184 4XZ 0.00000 0.00000 -0.01328 -0.00177 -0.00001 185 4YZ -0.00531 0.00119 0.00000 0.00000 0.00037 186 22 H 1S 0.00000 0.00001 0.04826 0.02840 0.00021 187 2S -0.00001 -0.00003 -0.49722 0.11706 0.00086 188 23 H 1S 0.00000 0.00000 0.04472 0.00891 0.00006 189 2S 0.00001 -0.00001 0.01725 -0.08209 -0.00059 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32867 0.37585 1 1 C 1S -0.01996 0.04516 -0.06144 0.01581 -0.01482 2 2S 0.01987 -0.05049 0.04016 -0.03190 0.00786 3 2PX 0.03744 -0.06470 -0.03420 0.03042 0.01096 4 2PY -0.06442 0.19071 0.04299 0.01174 0.02406 5 2PZ 0.10283 0.02037 -0.14398 0.04147 -0.04375 6 3S 0.47210 -1.31373 2.01178 -0.39118 0.65602 7 3PX 0.21324 -0.24068 -0.29160 0.08904 -0.06455 8 3PY -0.25074 1.30186 0.74270 0.15903 -0.23451 9 3PZ 0.44820 -0.07500 -1.18422 0.20474 -0.43597 10 4XX 0.00195 -0.00435 0.00310 0.00270 -0.00744 11 4YY -0.01177 0.02230 0.00822 0.00181 0.00673 12 4ZZ 0.00581 -0.01556 -0.02128 -0.00653 0.00175 13 4XY 0.00184 0.00179 0.01164 0.00157 0.00108 14 4XZ 0.00625 -0.01613 0.00159 0.00120 0.01036 15 4YZ 0.00581 -0.00175 0.03135 -0.00041 -0.00211 16 2 C 1S -0.02261 0.05272 0.05187 -0.01301 0.00627 17 2S 0.02688 -0.06034 -0.04467 -0.01095 0.06160 18 2PX -0.01665 0.16498 -0.06293 -0.05349 -0.00465 19 2PY -0.02358 0.03930 0.12537 0.02928 -0.00237 20 2PZ -0.05210 0.02391 -0.22904 0.01011 0.01483 21 3S 0.62011 -1.30313 -1.51918 0.39112 -0.48315 22 3PX 0.00407 0.63317 -0.41291 -0.01000 -0.00153 23 3PY -0.09872 0.09459 0.87543 -0.10803 0.31434 24 3PZ -0.12172 0.28313 -1.42306 0.09585 -0.19176 25 4XX 0.00045 0.00791 -0.00035 0.01061 -0.00651 26 4YY 0.01374 -0.01972 -0.00194 -0.00875 0.00471 27 4ZZ -0.01529 0.01836 0.00956 -0.00543 0.00785 28 4XY 0.01026 0.00893 -0.00473 0.01042 0.01102 29 4XZ -0.00452 0.01094 -0.00359 -0.00041 0.00052 30 4YZ 0.00072 0.01670 -0.01763 0.00294 -0.00668 31 3 C 1S 0.02259 -0.05270 0.05189 0.01302 -0.00627 32 2S -0.02686 0.06032 -0.04468 0.01093 -0.06161 33 2PX 0.01656 -0.16502 -0.06287 0.05347 0.00465 34 2PY -0.02342 0.03924 -0.12540 0.02925 -0.00237 35 2PZ 0.05200 -0.02399 -0.22903 -0.01018 -0.01486 36 3S -0.61990 1.30249 -1.51983 -0.39153 0.48303 37 3PX -0.00443 -0.63340 -0.41263 0.00993 0.00147 38 3PY -0.09798 0.09420 -0.87560 -0.10826 0.31430 39 3PZ 0.12136 -0.28368 -1.42306 -0.09621 0.19166 40 4XX -0.00045 -0.00791 -0.00034 -0.01061 0.00651 41 4YY -0.01374 0.01972 -0.00195 0.00875 -0.00471 42 4ZZ 0.01529 -0.01835 0.00956 0.00543 -0.00785 43 4XY 0.01027 0.00893 0.00473 0.01042 0.01102 44 4XZ 0.00452 -0.01095 -0.00359 0.00040 -0.00053 45 4YZ 0.00072 0.01670 0.01763 0.00294 -0.00668 46 4 C 1S 0.01995 -0.04518 -0.06142 -0.01582 0.01481 47 2S -0.01986 0.05051 0.04013 0.03190 -0.00786 48 2PX -0.03740 0.06466 -0.03423 -0.03045 -0.01095 49 2PY -0.06450 0.19070 -0.04309 0.01173 0.02407 50 2PZ -0.10276 -0.02044 -0.14398 -0.04149 0.04375 51 3S -0.47175 1.31454 2.01134 0.39172 -0.65588 52 3PX -0.21306 0.24046 -0.29170 -0.08913 0.06456 53 3PY -0.25106 1.30159 -0.74337 0.15881 -0.23456 54 3PZ -0.44792 0.07446 -1.18437 -0.20506 0.43589 55 4XX -0.00195 0.00435 0.00310 -0.00270 0.00744 56 4YY 0.01177 -0.02229 0.00822 -0.00181 -0.00672 57 4ZZ -0.00580 0.01555 -0.02129 0.00652 -0.00175 58 4XY 0.00185 0.00179 -0.01164 0.00157 0.00108 59 4XZ -0.00624 0.01613 0.00159 -0.00121 -0.01036 60 4YZ 0.00580 -0.00176 -0.03135 -0.00042 -0.00212 61 5 H 1S 0.02295 -0.06789 0.08770 0.00286 0.02646 62 2S -0.45983 -0.17246 0.19512 -0.12655 0.18601 63 6 H 1S -0.02292 0.06793 0.08767 -0.00284 -0.02645 64 2S 0.45931 0.17255 0.19510 0.12658 -0.18601 65 7 C 1S -0.04397 -0.01574 -0.00554 0.01646 0.10929 66 2S 0.08045 0.02066 0.02751 0.02445 -0.10566 67 2PX 0.05160 0.03569 0.00336 0.14073 -0.11457 68 2PY -0.00202 -0.01254 -0.01338 0.23688 0.16473 69 2PZ -0.11190 -0.08274 -0.03870 0.09506 -0.24874 70 3S 0.76720 0.31125 0.13436 -1.23614 -2.60521 71 3PX -0.10681 -0.13951 -0.05308 0.67958 -1.08502 72 3PY -0.16413 -0.05974 0.08646 1.77576 1.84295 73 3PZ -0.44625 -0.23759 -0.00795 0.36186 -1.04330 74 4XX -0.00363 -0.00040 0.00157 -0.00172 -0.01134 75 4YY -0.00764 -0.00533 0.00592 0.02372 0.02631 76 4ZZ 0.00130 -0.00168 -0.00284 -0.00711 -0.00871 77 4XY 0.00036 -0.00089 -0.00608 0.00492 0.00248 78 4XZ -0.00694 -0.00197 0.00531 -0.01626 0.01081 79 4YZ -0.00414 -0.00114 0.00177 -0.00045 -0.00496 80 8 H 1S -0.03619 -0.02345 0.00052 -0.04909 0.07987 81 2S -0.69442 -0.35912 -0.21805 -0.30168 -1.11706 82 9 C 1S 0.04397 0.01573 -0.00553 -0.01646 -0.10929 83 2S -0.08045 -0.02063 0.02752 -0.02446 0.10566 84 2PX -0.05160 -0.03567 0.00341 -0.14071 0.11458 85 2PY -0.00205 -0.01255 0.01331 0.23687 0.16471 86 2PZ 0.11188 0.08273 -0.03872 -0.09507 0.24874 87 3S -0.76704 -0.31111 0.13406 1.23625 2.60521 88 3PX 0.10683 0.13949 -0.05299 -0.67956 1.08504 89 3PY -0.16420 -0.05981 -0.08699 1.77572 1.84296 90 3PZ 0.44620 0.23758 -0.00800 -0.36188 1.04326 91 4XX 0.00363 0.00040 0.00157 0.00173 0.01134 92 4YY 0.00763 0.00533 0.00593 -0.02372 -0.02631 93 4ZZ -0.00130 0.00168 -0.00284 0.00711 0.00871 94 4XY 0.00036 -0.00089 0.00608 0.00492 0.00248 95 4XZ 0.00694 0.00197 0.00531 0.01626 -0.01081 96 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 97 10 H 1S 0.03617 0.02344 0.00050 0.04908 -0.07987 98 2S 0.69423 0.35893 -0.21835 0.30157 1.11702 99 11 H 1S -0.06993 0.07947 -0.02803 0.03989 -0.00381 100 2S -0.00724 -0.10522 -0.41950 0.12463 0.15017 101 12 H 1S 0.06993 -0.07948 -0.02798 -0.03990 0.00380 102 2S 0.00799 0.10508 -0.41949 -0.12471 -0.15015 103 13 C 1S -0.01092 0.01793 0.01192 -0.00336 -0.00384 104 2S 0.00007 -0.02396 -0.00977 -0.00580 0.01644 105 2PX 0.12713 -0.09752 -0.00801 -0.07067 0.00514 106 2PY -0.19874 0.14030 0.07219 -0.04719 -0.02481 107 2PZ -0.18136 -0.24950 -0.03174 -0.02267 -0.02768 108 3S 0.25256 -0.27034 -0.49713 0.19213 -0.07199 109 3PX 0.65325 -0.41303 -0.11294 -0.05738 0.02036 110 3PY -0.70982 0.52218 0.29467 -0.22116 -0.12656 111 3PZ -0.61600 -1.00774 0.12949 -0.02502 -0.17225 112 4XX -0.00761 -0.00337 -0.00197 0.01236 -0.00458 113 4YY 0.01256 -0.00850 0.01261 0.00219 0.00102 114 4ZZ -0.01054 0.01301 -0.01021 -0.01119 -0.00075 115 4XY -0.00379 0.00258 -0.02351 0.00266 0.00149 116 4XZ -0.00330 0.01072 -0.00383 -0.00302 -0.00017 117 4YZ 0.00445 0.00441 -0.00493 0.00142 -0.00077 118 14 H 1S -0.06266 0.00501 -0.03236 -0.04677 -0.00193 119 2S -1.30609 -0.62453 0.18535 -0.23514 -0.19370 120 15 H 1S 0.00577 -0.01386 -0.04456 0.02867 -0.01233 121 2S 0.47100 0.15895 0.07143 -0.25757 0.02320 122 16 C 1S 0.01095 -0.01792 0.01192 0.00337 0.00384 123 2S -0.00009 0.02396 -0.00977 0.00578 -0.01644 124 2PX -0.12723 0.09750 -0.00803 0.07064 -0.00514 125 2PY -0.19873 0.14030 -0.07226 -0.04719 -0.02481 126 2PZ 0.18134 0.24949 -0.03185 0.02269 0.02769 127 3S -0.25320 0.27006 -0.49716 -0.19223 0.07194 128 3PX -0.65372 0.41291 -0.11300 0.05734 -0.02039 129 3PY -0.70989 0.52214 -0.29491 -0.22124 -0.12657 130 3PZ 0.61569 1.00777 0.12901 0.02510 0.17226 131 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 132 4YY -0.01257 0.00851 0.01261 -0.00219 -0.00102 133 4ZZ 0.01054 -0.01302 -0.01021 0.01118 0.00075 134 4XY -0.00378 0.00259 0.02351 0.00267 0.00149 135 4XZ 0.00331 -0.01072 -0.00382 0.00301 0.00017 136 4YZ 0.00446 0.00441 0.00493 0.00142 -0.00077 137 17 H 1S 0.06263 -0.00501 -0.03235 0.04675 0.00193 138 2S 1.30613 0.62464 0.18498 0.23523 0.19373 139 18 H 1S -0.00580 0.01383 -0.04457 -0.02868 0.01233 140 2S -0.47111 -0.15886 0.07160 0.25755 -0.02319 141 19 O 1S 0.00148 -0.00156 0.00070 0.02052 -0.03944 142 2S -0.01865 -0.01699 -0.00101 -0.05547 0.02453 143 2PX 0.00887 0.00541 -0.00418 0.21009 -0.19610 144 2PY 0.03112 -0.00188 0.01646 -0.07453 -0.00618 145 2PZ 0.03828 0.00243 -0.01078 0.13830 -0.12041 146 3S 0.05974 0.10211 -0.02475 -0.19570 0.93453 147 3PX -0.05483 -0.04172 0.00459 0.50963 -0.38665 148 3PY 0.02174 0.00085 -0.00413 -0.20644 -0.29361 149 3PZ 0.02754 -0.00808 -0.00110 0.33758 -0.26322 150 4XX -0.00186 -0.00650 -0.00257 -0.00338 -0.01618 151 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 152 4ZZ 0.00263 -0.00356 0.00178 -0.00277 -0.02686 153 4XY 0.00533 -0.00117 0.00085 -0.02203 -0.02847 154 4XZ 0.00538 0.00134 -0.00107 0.00175 0.01164 155 4YZ 0.00365 0.00513 0.00050 -0.01349 -0.00895 156 20 O 1S -0.00148 0.00156 0.00071 -0.02051 0.03944 157 2S 0.01865 0.01699 -0.00102 0.05547 -0.02453 158 2PX -0.00887 -0.00540 -0.00413 -0.21009 0.19611 159 2PY 0.03113 -0.00190 -0.01644 -0.07453 -0.00618 160 2PZ -0.03826 -0.00242 -0.01075 -0.13829 0.12042 161 3S -0.05974 -0.10216 -0.02473 0.19561 -0.93448 162 3PX 0.05484 0.04174 0.00470 -0.50963 0.38666 163 3PY 0.02176 0.00085 0.00420 -0.20646 -0.29358 164 3PZ -0.02750 0.00810 -0.00102 -0.33755 0.26322 165 4XX 0.00186 0.00650 -0.00258 0.00339 0.01617 166 4YY 0.00868 0.00745 0.00171 -0.00974 0.00150 167 4ZZ -0.00262 0.00356 0.00178 0.00278 0.02686 168 4XY 0.00533 -0.00118 -0.00084 -0.02203 -0.02847 169 4XZ -0.00537 -0.00134 -0.00106 -0.00176 -0.01164 170 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00895 171 21 C 1S 0.00000 0.00000 -0.00291 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00490 -0.00001 0.00000 173 2PX 0.00000 0.00000 -0.00337 0.00001 -0.00001 174 2PY -0.02140 0.00190 0.00001 -0.03253 0.34541 175 2PZ 0.00000 0.00000 -0.00930 0.00000 0.00000 176 3S -0.00004 0.00001 0.02544 0.00006 -0.00004 177 3PX 0.00002 -0.00002 -0.04977 -0.00002 0.00002 178 3PY 0.08064 0.01690 0.00012 -0.94190 -0.13283 179 3PZ -0.00002 -0.00001 -0.02530 -0.00002 -0.00001 180 4XX 0.00000 0.00000 -0.00107 0.00000 0.00000 181 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 183 4XY 0.00121 -0.00071 0.00000 -0.01231 0.02169 184 4XZ 0.00000 0.00000 -0.00178 0.00000 0.00000 185 4YZ 0.00467 -0.00091 0.00000 0.00449 0.00612 186 22 H 1S 0.00000 0.00000 0.00406 0.00000 0.00000 187 2S 0.00004 0.00001 0.02606 0.00000 0.00002 188 23 H 1S 0.00000 0.00000 0.00936 0.00000 0.00000 189 2S -0.00001 -0.00001 0.00357 -0.00002 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43552 0.47078 0.48268 0.48732 0.50574 1 1 C 1S 0.09086 0.00823 0.03934 0.01128 -0.00341 2 2S -0.02617 0.05822 -0.01514 0.16104 -0.30047 3 2PX 0.08716 0.17996 0.01926 0.17624 0.01694 4 2PY 0.17882 0.04517 -0.21590 -0.25580 -0.10625 5 2PZ 0.06271 -0.12356 0.19487 0.07017 0.17615 6 3S -3.40744 -0.14710 -1.77261 -0.42113 0.32146 7 3PX 0.60480 -0.14803 0.49548 -0.19964 -0.03221 8 3PY 2.40444 -0.16141 -1.52111 0.30068 0.17409 9 3PZ 1.28352 0.14824 2.38741 -0.03184 -0.18713 10 4XX -0.00366 -0.00116 -0.00032 -0.00930 0.00716 11 4YY 0.01032 -0.00334 -0.02151 0.05327 -0.02520 12 4ZZ -0.00674 0.02076 0.01182 -0.00059 -0.04692 13 4XY 0.00265 -0.00772 0.00231 0.00504 0.00581 14 4XZ -0.00371 0.00285 -0.00767 0.00928 -0.02640 15 4YZ 0.01067 -0.01670 0.00622 0.02106 0.00616 16 2 C 1S -0.07624 -0.00678 -0.04852 -0.01038 -0.00190 17 2S 0.06357 0.11354 -0.00605 -0.03889 -0.02980 18 2PX -0.08875 0.10278 0.12976 -0.14262 -0.01786 19 2PY -0.12639 -0.06459 -0.06708 0.04984 -0.03006 20 2PZ -0.16752 0.08950 0.11062 -0.09097 -0.30093 21 3S 2.15779 0.01140 2.35272 0.27963 -0.19077 22 3PX -0.72259 -0.04369 0.78414 0.34854 0.10226 23 3PY -1.79910 0.04500 -1.08189 -0.25082 0.14249 24 3PZ -0.25977 -0.15657 2.28338 0.26730 0.48227 25 4XX -0.00392 0.01018 0.01327 0.00327 0.02659 26 4YY -0.00238 -0.00729 0.00984 0.00007 -0.00479 27 4ZZ 0.01307 0.00746 -0.02340 -0.01634 -0.01567 28 4XY -0.00539 0.00748 0.00469 0.01586 0.01496 29 4XZ 0.00925 0.01511 0.01107 0.01680 -0.00322 30 4YZ 0.01644 -0.01782 0.01281 0.02504 0.02607 31 3 C 1S 0.07624 -0.00676 0.04853 -0.01035 -0.00190 32 2S -0.06355 0.11357 0.00605 -0.03889 -0.02977 33 2PX 0.08879 0.10272 -0.12974 -0.14270 -0.01791 34 2PY -0.12636 0.06460 -0.06707 -0.04990 0.03005 35 2PZ 0.16751 0.08943 -0.11056 -0.09099 -0.30095 36 3S -2.15785 0.01052 -2.35278 0.27813 -0.19073 37 3PX 0.72272 -0.04412 -0.78427 0.34811 0.10226 38 3PY -1.79906 -0.04533 -1.08212 0.25011 -0.14240 39 3PZ 0.25976 -0.15761 -2.28332 0.26584 0.48221 40 4XX 0.00392 0.01018 -0.01328 0.00326 0.02659 41 4YY 0.00238 -0.00729 -0.00983 0.00006 -0.00479 42 4ZZ -0.01308 0.00747 0.02341 -0.01633 -0.01567 43 4XY -0.00539 -0.00748 0.00470 -0.01586 -0.01496 44 4XZ -0.00925 0.01511 -0.01109 0.01679 -0.00322 45 4YZ 0.01644 0.01783 0.01281 -0.02503 -0.02607 46 4 C 1S -0.09086 0.00822 -0.03934 0.01126 -0.00341 47 2S 0.02614 0.05823 0.01502 0.16107 -0.30047 48 2PX -0.08715 0.17996 -0.01943 0.17622 0.01690 49 2PY 0.17879 -0.04527 -0.21605 0.25568 0.10625 50 2PZ -0.06273 -0.12365 -0.19485 0.07003 0.17616 51 3S 3.40750 -0.14667 1.77275 -0.41986 0.32137 52 3PX -0.60504 -0.14820 -0.49515 -0.19998 -0.03216 53 3PY 2.40436 0.16048 -1.52103 -0.30147 -0.17422 54 3PZ -1.28362 0.14733 -2.38729 -0.03337 -0.18711 55 4XX 0.00366 -0.00116 0.00033 -0.00930 0.00716 56 4YY -0.01032 -0.00333 0.02147 0.05329 -0.02520 57 4ZZ 0.00674 0.02076 -0.01182 -0.00059 -0.04692 58 4XY 0.00265 0.00773 0.00231 -0.00505 -0.00581 59 4XZ 0.00371 0.00285 0.00767 0.00929 -0.02640 60 4YZ 0.01068 0.01670 0.00623 -0.02106 -0.00616 61 5 H 1S 0.04303 0.00058 0.03502 0.10841 -0.10298 62 2S -0.99324 0.08093 -0.48803 0.02939 -0.04163 63 6 H 1S -0.04303 0.00058 -0.03511 0.10841 -0.10298 64 2S 0.99324 0.08104 0.48797 0.02977 -0.04167 65 7 C 1S 0.01374 0.00813 0.01267 -0.00985 0.01873 66 2S -0.03208 0.19207 -0.08237 -0.04566 -0.10558 67 2PX -0.05428 -0.08906 -0.13655 -0.15310 -0.04678 68 2PY -0.01519 -0.31209 -0.03313 0.03256 -0.15510 69 2PZ -0.00714 -0.19944 -0.03006 0.18413 -0.25121 70 3S -0.22171 -0.04044 0.02819 0.00049 0.07822 71 3PX 0.07278 0.10063 0.13408 0.26868 0.00661 72 3PY 0.00496 0.39989 -0.15580 -0.11776 0.13890 73 3PZ 0.00631 0.28628 0.04603 -0.14213 0.28003 74 4XX -0.00093 -0.01306 -0.01043 -0.01253 -0.01140 75 4YY -0.00051 0.06763 -0.00206 -0.00047 -0.00390 76 4ZZ 0.00005 -0.01001 0.00934 -0.00678 0.01965 77 4XY 0.00125 -0.00023 0.00383 0.00750 0.01783 78 4XZ 0.00356 0.03391 0.00250 -0.01448 0.01265 79 4YZ 0.00073 0.00280 0.00340 0.01021 0.00185 80 8 H 1S 0.02028 0.12542 0.04237 -0.08174 0.11493 81 2S 0.14685 -0.00097 0.22669 0.14827 0.09050 82 9 C 1S -0.01374 0.00813 -0.01266 -0.00985 0.01873 83 2S 0.03210 0.19208 0.08234 -0.04560 -0.10558 84 2PX 0.05427 -0.08905 0.13669 -0.15302 -0.04683 85 2PY -0.01514 0.31211 -0.03323 -0.03260 0.15511 86 2PZ 0.00709 -0.19944 0.03004 0.18415 -0.25120 87 3S 0.22169 -0.04032 -0.02821 0.00027 0.07823 88 3PX -0.07281 0.10065 -0.13432 0.26854 0.00672 89 3PY 0.00491 -0.39983 -0.15571 0.11757 -0.13890 90 3PZ -0.00627 0.28634 -0.04608 -0.14227 0.28005 91 4XX 0.00092 -0.01305 0.01044 -0.01252 -0.01140 92 4YY 0.00052 0.06762 0.00204 -0.00046 -0.00390 93 4ZZ -0.00005 -0.01002 -0.00933 -0.00678 0.01966 94 4XY 0.00125 0.00023 0.00384 -0.00750 -0.01783 95 4XZ -0.00355 0.03392 -0.00251 -0.01448 0.01265 96 4YZ 0.00073 -0.00280 0.00341 -0.01021 -0.00185 97 10 H 1S -0.02025 0.12542 -0.04237 -0.08176 0.11494 98 2S -0.14685 -0.00097 -0.22679 0.14806 0.09052 99 11 H 1S 0.08706 -0.05097 -0.03837 0.01640 -0.04425 100 2S -0.73447 -0.00398 -0.27727 0.04335 -0.05319 101 12 H 1S -0.08706 -0.05094 0.03840 0.01641 -0.04426 102 2S 0.73448 -0.00394 0.27726 0.04357 -0.05322 103 13 C 1S -0.05513 0.00113 -0.01133 -0.00270 0.00002 104 2S -0.01997 0.05975 0.00336 0.03142 -0.02585 105 2PX 0.10090 0.13085 -0.11116 0.09582 0.10964 106 2PY -0.03743 0.13586 0.20410 -0.18383 -0.18499 107 2PZ 0.04928 -0.07618 -0.06182 0.08310 -0.07393 108 3S 1.77131 -0.12266 0.10756 0.00964 0.18512 109 3PX 1.19951 -0.12365 -0.31826 -0.10221 -0.06938 110 3PY 0.28960 -0.11874 1.16079 0.16167 0.20115 111 3PZ 1.29957 0.12793 0.01345 -0.13426 0.09836 112 4XX -0.01215 -0.02857 0.02013 0.00501 -0.00666 113 4YY 0.00251 0.02828 -0.00834 -0.02648 -0.03810 114 4ZZ 0.00425 0.01171 -0.01228 0.02123 0.04464 115 4XY -0.00208 -0.01469 -0.00866 -0.00408 -0.02390 116 4XZ -0.02779 0.00252 -0.00737 0.01476 0.02432 117 4YZ 0.00110 0.01623 -0.00117 -0.00475 0.00338 118 14 H 1S 0.06894 0.07653 -0.05932 0.02478 0.12950 119 2S 0.25755 0.03262 0.21479 -0.05783 -0.04960 120 15 H 1S 0.04495 -0.11379 0.06262 -0.00732 -0.11364 121 2S 0.28597 0.09329 -0.03042 0.03074 0.04431 122 16 C 1S 0.05513 0.00113 0.01133 -0.00269 0.00001 123 2S 0.01997 0.05976 -0.00341 0.03140 -0.02585 124 2PX -0.10088 0.13092 0.11103 0.09586 0.10965 125 2PY -0.03743 -0.13582 0.20412 0.18398 0.18498 126 2PZ -0.04931 -0.07611 0.06177 0.08311 -0.07395 127 3S -1.77132 -0.12260 -0.10745 0.00954 0.18518 128 3PX -1.19942 -0.12343 0.31837 -0.10204 -0.06930 129 3PY 0.28946 0.11927 1.16080 -0.16096 -0.20109 130 3PZ -1.29970 0.12805 -0.01350 -0.13432 0.09846 131 4XX 0.01214 -0.02858 -0.02012 0.00499 -0.00666 132 4YY -0.00252 0.02827 0.00833 -0.02647 -0.03810 133 4ZZ -0.00424 0.01172 0.01227 0.02123 0.04464 134 4XY -0.00208 0.01468 -0.00867 0.00407 0.02391 135 4XZ 0.02779 0.00251 0.00736 0.01476 0.02430 136 4YZ 0.00111 -0.01623 -0.00117 0.00476 -0.00336 137 17 H 1S -0.06896 0.07659 0.05929 0.02481 0.12950 138 2S -0.25755 0.03260 -0.21480 -0.05798 -0.04958 139 18 H 1S -0.04493 -0.11382 -0.06255 -0.00736 -0.11362 140 2S -0.28598 0.09334 0.03034 0.03073 0.04432 141 19 O 1S -0.00431 -0.01240 -0.00557 0.00026 -0.00861 142 2S 0.03215 0.00214 0.01299 -0.08493 0.06225 143 2PX -0.06334 -0.10438 -0.05498 -0.05983 0.02797 144 2PY 0.01037 0.06621 0.01695 0.04713 -0.10926 145 2PZ -0.00578 -0.02802 -0.03821 0.08031 -0.14345 146 3S -0.00760 0.31781 0.07900 0.41183 -0.20937 147 3PX -0.03929 0.07201 -0.01410 -0.03379 0.02315 148 3PY 0.00046 -0.28075 -0.00111 -0.14214 0.05477 149 3PZ -0.02363 -0.03023 -0.01581 0.09146 -0.03179 150 4XX 0.00493 -0.03484 0.00568 -0.01420 -0.00663 151 4YY 0.01062 0.06146 0.00713 0.01549 -0.00575 152 4ZZ 0.00236 -0.03798 -0.01302 -0.04760 0.01189 153 4XY -0.00460 -0.02823 -0.02218 -0.02602 0.00348 154 4XZ 0.00106 0.00413 -0.00737 0.01174 -0.03730 155 4YZ -0.00453 -0.01169 -0.01164 -0.00596 -0.00326 156 20 O 1S 0.00431 -0.01239 0.00557 0.00027 -0.00861 157 2S -0.03214 0.00215 -0.01293 -0.08494 0.06225 158 2PX 0.06333 -0.10438 0.05506 -0.05979 0.02796 159 2PY 0.01037 -0.06619 0.01701 -0.04711 0.10926 160 2PZ 0.00576 -0.02802 0.03817 0.08032 -0.14345 161 3S 0.00764 0.31769 -0.07937 0.41183 -0.20938 162 3PX 0.03930 0.07201 0.01408 -0.03383 0.02317 163 3PY 0.00049 0.28072 -0.00131 0.14214 -0.05477 164 3PZ 0.02360 -0.03023 0.01575 0.09146 -0.03177 165 4XX -0.00494 -0.03485 -0.00566 -0.01421 -0.00663 166 4YY -0.01062 0.06146 -0.00717 0.01549 -0.00575 167 4ZZ -0.00236 -0.03797 0.01306 -0.04760 0.01188 168 4XY -0.00460 0.02822 -0.02221 0.02600 -0.00348 169 4XZ -0.00106 0.00413 0.00737 0.01174 -0.03730 170 4YZ -0.00453 0.01168 -0.01165 0.00595 0.00326 171 21 C 1S 0.00000 -0.00507 0.00000 -0.00298 0.01419 172 2S 0.00001 0.28777 -0.00014 0.24091 -0.11601 173 2PX 0.00000 -0.37677 0.00024 -0.46279 0.23476 174 2PY 0.07967 0.00006 0.21613 0.00009 -0.00002 175 2PZ -0.00001 -0.16384 0.00002 0.04638 -0.07758 176 3S -0.00003 -0.77697 0.00035 -0.56222 0.14327 177 3PX 0.00001 0.81102 -0.00052 1.06139 -0.33891 178 3PY -0.00705 -0.00010 -0.25590 -0.00013 0.00004 179 3PZ 0.00004 0.35881 -0.00003 -0.13594 0.27210 180 4XX 0.00000 0.02730 0.00000 -0.00534 0.01895 181 4YY 0.00000 -0.04092 0.00001 -0.01631 0.01106 182 4ZZ 0.00000 0.00173 -0.00001 0.02064 -0.01367 183 4XY 0.00517 0.00000 0.01083 0.00000 0.00000 184 4XZ 0.00000 0.00234 -0.00001 0.03194 -0.00193 185 4YZ 0.00291 0.00000 -0.00303 0.00000 0.00000 186 22 H 1S -0.00001 -0.03606 -0.00002 0.06200 -0.02970 187 2S -0.00001 -0.02043 0.00000 0.03650 -0.12339 188 23 H 1S 0.00001 0.00251 0.00007 -0.19724 0.08018 189 2S 0.00001 -0.02738 0.00007 -0.20378 0.12766 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53410 0.54682 0.57017 0.57365 1 1 C 1S 0.00563 0.00196 0.00158 -0.01612 0.03647 2 2S -0.24029 0.12078 -0.02493 0.08106 0.12736 3 2PX 0.24211 -0.12738 -0.08488 -0.17297 -0.16646 4 2PY 0.09134 -0.12663 -0.01592 0.25044 0.29904 5 2PZ 0.05661 0.02610 0.08685 -0.04487 -0.04118 6 3S 0.30111 -0.10719 -0.15454 -0.03431 -0.75109 7 3PX -0.16665 0.13522 0.20818 0.08712 0.26206 8 3PY -0.12899 0.17943 -0.16465 -0.26659 -0.29107 9 3PZ -0.14561 -0.02256 0.23860 -0.02226 0.61164 10 4XX 0.00139 -0.00623 -0.00005 0.00763 -0.02763 11 4YY -0.04607 0.03439 -0.00233 -0.01842 0.06991 12 4ZZ 0.01634 0.00035 -0.00635 0.00428 0.01065 13 4XY -0.00378 0.00184 -0.00231 0.02934 -0.00354 14 4XZ 0.00863 -0.01231 0.00539 0.01519 0.02860 15 4YZ 0.03570 -0.00757 0.00002 0.03007 -0.00753 16 2 C 1S -0.00179 0.00641 -0.01239 0.03623 0.00188 17 2S -0.08197 0.08055 0.01307 -0.00531 0.09628 18 2PX 0.14748 0.04183 -0.06968 -0.05096 -0.06590 19 2PY 0.00070 -0.05708 -0.00183 0.18362 0.07619 20 2PZ -0.09234 -0.06517 0.01899 0.08073 0.33009 21 3S -0.22461 -0.11333 0.40040 0.12274 0.98706 22 3PX -0.20533 -0.20515 0.15651 0.10528 0.16705 23 3PY 0.25379 0.02739 -0.21097 -0.22005 -0.74824 24 3PZ 0.09985 0.20464 0.23176 -0.34070 -0.27255 25 4XX -0.01059 0.00345 0.00586 -0.03068 -0.03510 26 4YY 0.03744 0.00000 -0.00460 0.05796 0.03434 27 4ZZ -0.04551 0.02370 -0.00110 0.01566 0.03991 28 4XY -0.02720 0.00453 0.01739 0.03784 0.04097 29 4XZ -0.03808 0.01305 0.00013 0.04590 0.04318 30 4YZ -0.00362 0.02369 0.00348 -0.01377 0.00830 31 3 C 1S -0.00179 0.00641 0.01238 0.03623 -0.00191 32 2S -0.08194 0.08055 -0.01308 -0.00541 -0.09630 33 2PX 0.14744 0.04188 0.06969 -0.05103 0.06597 34 2PY -0.00069 0.05709 -0.00180 -0.18359 0.07626 35 2PZ -0.09232 -0.06518 -0.01901 0.08046 -0.33023 36 3S -0.22453 -0.11320 -0.40047 0.12190 -0.98706 37 3PX -0.20526 -0.20524 -0.15652 0.10529 -0.16710 38 3PY -0.25375 -0.02732 -0.21111 0.21942 -0.74815 39 3PZ 0.09990 0.20484 -0.23172 -0.34065 0.27301 40 4XX -0.01060 0.00346 -0.00586 -0.03065 0.03512 41 4YY 0.03745 -0.00001 0.00461 0.05792 -0.03437 42 4ZZ -0.04551 0.02370 0.00109 0.01563 -0.03993 43 4XY 0.02719 -0.00453 0.01740 -0.03781 0.04101 44 4XZ -0.03808 0.01305 -0.00015 0.04587 -0.04322 45 4YZ 0.00361 -0.02369 0.00348 0.01378 0.00829 46 4 C 1S 0.00563 0.00197 -0.00158 -0.01616 -0.03646 47 2S -0.24029 0.12076 0.02489 0.08096 -0.12749 48 2PX 0.24209 -0.12736 0.08499 -0.17292 0.16658 49 2PY -0.09133 0.12664 -0.01591 -0.25023 0.29926 50 2PZ 0.05662 0.02611 -0.08686 -0.04480 0.04123 51 3S 0.30105 -0.10736 0.15458 -0.03356 0.75102 52 3PX -0.16661 0.13528 -0.20825 0.08691 -0.26209 53 3PY 0.12903 -0.17938 -0.16465 0.26633 -0.29135 54 3PZ -0.14555 -0.02238 -0.23862 -0.02296 -0.61156 55 4XX 0.00139 -0.00624 0.00005 0.00766 0.02763 56 4YY -0.04606 0.03439 0.00232 -0.01849 -0.06990 57 4ZZ 0.01634 0.00035 0.00636 0.00426 -0.01066 58 4XY 0.00379 -0.00184 -0.00230 -0.02933 -0.00352 59 4XZ 0.00863 -0.01231 -0.00539 0.01517 -0.02862 60 4YZ -0.03569 0.00756 0.00002 -0.03008 -0.00751 61 5 H 1S 0.12787 -0.05392 -0.01343 0.12754 0.16206 62 2S -0.09593 0.02660 -0.10868 -0.04068 -0.09920 63 6 H 1S 0.12788 -0.05392 0.01346 0.12739 -0.16216 64 2S -0.09595 0.02653 0.10868 -0.04054 0.09921 65 7 C 1S -0.01562 -0.00732 0.05308 0.00443 0.01016 66 2S -0.06276 0.23117 -0.12353 0.14745 0.21228 67 2PX 0.21137 0.38899 -0.16936 -0.11885 -0.05119 68 2PY 0.15267 -0.00999 0.03921 0.07937 0.12204 69 2PZ -0.00144 -0.07385 -0.09138 0.01548 0.24512 70 3S -0.01022 -0.29945 -1.13729 -0.45014 -0.77817 71 3PX -0.16826 -0.49250 -0.11970 0.18216 -0.01592 72 3PY -0.29038 -0.00541 0.91182 -0.28408 0.03910 73 3PZ 0.11920 0.05441 -0.34762 -0.00820 -0.69115 74 4XX -0.00592 -0.01553 0.01096 -0.02034 -0.00933 75 4YY -0.01906 0.03915 -0.00175 0.01232 0.02743 76 4ZZ -0.00677 -0.00918 0.00145 0.03423 0.00809 77 4XY -0.01451 -0.04167 -0.01514 0.02008 -0.00520 78 4XZ -0.01460 0.00765 0.02099 0.00391 -0.00570 79 4YZ -0.01271 -0.03248 -0.01288 -0.03676 0.00159 80 8 H 1S 0.02068 0.11907 0.06601 0.15079 0.02219 81 2S 0.14222 -0.07764 -0.44076 0.11694 -0.13765 82 9 C 1S -0.01561 -0.00732 -0.05309 0.00440 -0.01017 83 2S -0.06276 0.23116 0.12351 0.14729 -0.21247 84 2PX 0.21132 0.38909 0.16938 -0.11896 0.05120 85 2PY -0.15268 0.00995 0.03923 -0.07911 0.12201 86 2PZ -0.00145 -0.07386 0.09139 0.01524 -0.24515 87 3S -0.01047 -0.29948 1.13738 -0.44925 0.77853 88 3PX -0.16826 -0.49272 0.11968 0.18261 0.01593 89 3PY 0.29021 0.00534 0.91175 0.28420 0.03911 90 3PZ 0.11912 0.05442 0.34761 -0.00757 0.69125 91 4XX -0.00591 -0.01553 -0.01095 -0.02032 0.00934 92 4YY -0.01906 0.03915 0.00175 0.01228 -0.02745 93 4ZZ -0.00677 -0.00919 -0.00146 0.03424 -0.00811 94 4XY 0.01451 0.04166 -0.01514 -0.02009 -0.00519 95 4XZ -0.01460 0.00765 -0.02099 0.00392 0.00568 96 4YZ 0.01271 0.03248 -0.01289 0.03675 0.00156 97 10 H 1S 0.02069 0.11906 -0.06604 0.15072 -0.02229 98 2S 0.14214 -0.07767 0.44074 0.11714 0.13770 99 11 H 1S 0.12419 -0.02854 0.01483 0.33752 -0.17969 100 2S -0.21026 0.09039 -0.04633 -0.05261 -0.22141 101 12 H 1S 0.12418 -0.02852 -0.01484 0.33766 0.17944 102 2S -0.21028 0.09035 0.04627 -0.05242 0.22154 103 13 C 1S 0.00371 -0.00176 -0.00776 -0.00967 0.00365 104 2S -0.16895 0.03792 0.02048 0.09808 -0.18364 105 2PX -0.24027 -0.03358 -0.04984 0.27601 -0.23648 106 2PY -0.06826 -0.12016 0.04398 -0.26251 -0.02319 107 2PZ -0.31563 0.21644 -0.03904 0.08058 -0.24408 108 3S 0.22579 -0.07179 0.06307 -0.35853 0.84429 109 3PX 0.27803 0.07940 0.11525 -0.36310 0.57273 110 3PY 0.09048 0.17300 0.08176 0.35881 0.36764 111 3PZ 0.34626 -0.29642 0.08856 -0.02461 0.63976 112 4XX -0.00580 0.04768 0.01009 0.00005 -0.01472 113 4YY -0.03998 -0.01682 -0.00314 -0.02772 0.00237 114 4ZZ 0.01973 -0.02369 -0.00546 0.01839 0.00923 115 4XY 0.00560 0.01681 -0.00019 0.01246 -0.00697 116 4XZ -0.02068 -0.00015 -0.00986 -0.00231 0.00234 117 4YZ 0.01687 -0.03143 0.00036 0.03902 -0.00755 118 14 H 1S 0.14548 -0.15841 -0.01564 0.11129 0.09406 119 2S -0.08329 0.04412 -0.01414 0.02273 0.12912 120 15 H 1S 0.01809 0.14798 0.02515 0.01409 -0.05043 121 2S -0.03872 -0.08087 -0.01899 -0.02932 0.08263 122 16 C 1S 0.00371 -0.00176 0.00776 -0.00968 -0.00364 123 2S -0.16896 0.03793 -0.02052 0.09827 0.18357 124 2PX -0.24023 -0.03356 0.04977 0.27612 0.23625 125 2PY 0.06822 0.12021 0.04401 0.26243 -0.02349 126 2PZ -0.31570 0.21644 0.03896 0.08077 0.24407 127 3S 0.22582 -0.07176 -0.06301 -0.35934 -0.84393 128 3PX 0.27802 0.07935 -0.11515 -0.36345 -0.57243 129 3PY -0.09045 -0.17311 0.08171 -0.35836 0.36809 130 3PZ 0.34635 -0.29637 -0.08847 -0.02511 -0.63993 131 4XX -0.00579 0.04767 -0.01010 0.00007 0.01470 132 4YY -0.03999 -0.01681 0.00313 -0.02774 -0.00232 133 4ZZ 0.01972 -0.02370 0.00547 0.01840 -0.00925 134 4XY -0.00560 -0.01681 -0.00019 -0.01247 -0.00697 135 4XZ -0.02069 -0.00013 0.00985 -0.00232 -0.00233 136 4YZ -0.01686 0.03143 0.00037 -0.03902 -0.00753 137 17 H 1S 0.14545 -0.15842 0.01567 0.11121 -0.09416 138 2S -0.08329 0.04415 0.01414 0.02263 -0.12920 139 18 H 1S 0.01813 0.14796 -0.02514 0.01414 0.05038 140 2S -0.03872 -0.08085 0.01899 -0.02945 -0.08261 141 19 O 1S 0.00684 0.00076 -0.01247 -0.00457 -0.00378 142 2S -0.08059 -0.16952 0.09222 -0.00829 0.00551 143 2PX -0.01574 0.07263 0.00403 0.00798 0.01592 144 2PY 0.16043 0.18212 -0.28461 0.08656 0.04976 145 2PZ 0.04332 -0.03381 -0.05232 -0.04929 0.06440 146 3S 0.26699 0.62449 -0.39560 0.15564 0.27050 147 3PX 0.03663 -0.03190 -0.30855 -0.04039 -0.14022 148 3PY -0.07414 -0.20171 0.03559 -0.04250 -0.05905 149 3PZ -0.05008 -0.15958 -0.11017 -0.07114 -0.05620 150 4XX -0.01503 -0.04567 -0.02722 0.00301 0.02927 151 4YY 0.01477 -0.00490 -0.00372 0.00238 -0.00242 152 4ZZ -0.01622 -0.05295 0.02123 -0.01112 -0.00325 153 4XY -0.00091 0.00521 0.06191 0.00507 0.01651 154 4XZ 0.02746 0.04378 -0.04620 0.00009 0.02621 155 4YZ 0.00168 0.00882 0.01959 -0.00625 -0.00078 156 20 O 1S 0.00684 0.00076 0.01248 -0.00456 0.00378 157 2S -0.08057 -0.16953 -0.09221 -0.00832 -0.00552 158 2PX -0.01575 0.07264 -0.00405 0.00793 -0.01594 159 2PY -0.16039 -0.18215 -0.28461 -0.08655 0.04979 160 2PZ 0.04331 -0.03380 0.05234 -0.04937 -0.06438 161 3S 0.26693 0.62458 0.39555 0.15541 -0.27057 162 3PX 0.03657 -0.03189 0.30856 -0.04021 0.14027 163 3PY 0.07414 0.20173 0.03557 0.04243 -0.05909 164 3PZ -0.05010 -0.15960 0.11018 -0.07102 0.05626 165 4XX -0.01503 -0.04567 0.02723 0.00298 -0.02928 166 4YY 0.01477 -0.00490 0.00372 0.00238 0.00242 167 4ZZ -0.01622 -0.05295 -0.02123 -0.01113 0.00325 168 4XY 0.00090 -0.00521 0.06192 -0.00504 0.01652 169 4XZ 0.02745 0.04379 0.04620 0.00005 -0.02622 170 4YZ -0.00169 -0.00882 0.01959 0.00625 -0.00078 171 21 C 1S -0.01484 -0.02371 0.00000 -0.00488 0.00000 172 2S 0.12852 0.14503 0.00002 0.04264 0.00000 173 2PX -0.25273 -0.23358 -0.00003 0.00945 -0.00004 174 2PY 0.00006 -0.00002 -0.84181 -0.00012 -0.01995 175 2PZ -0.11990 -0.27308 0.00002 -0.17867 0.00004 176 3S -0.19973 -0.25605 -0.00003 -0.05978 0.00001 177 3PX 0.42902 0.21351 0.00000 0.01947 0.00013 178 3PY -0.00012 0.00003 1.45704 0.00020 0.06928 179 3PZ 0.20641 0.57002 -0.00008 0.50300 -0.00009 180 4XX 0.00481 0.01347 0.00000 0.00465 0.00000 181 4YY -0.03161 -0.02816 0.00000 -0.01605 0.00000 182 4ZZ -0.00028 -0.02572 0.00000 -0.00240 0.00000 183 4XY 0.00000 0.00000 -0.07800 0.00000 0.00725 184 4XZ -0.00656 -0.03319 0.00000 -0.01471 0.00001 185 4YZ 0.00000 0.00000 -0.03734 0.00001 0.01226 186 22 H 1S -0.04585 -0.16917 0.00002 -0.05863 0.00001 187 2S -0.04787 -0.08225 0.00004 -0.22658 0.00001 188 23 H 1S -0.00994 0.13728 0.00000 0.04846 -0.00004 189 2S -0.06565 0.09270 -0.00002 0.11414 -0.00006 76 77 78 79 80 V V V V V Eigenvalues -- 0.58250 0.58292 0.60597 0.62645 0.64669 1 1 C 1S -0.00599 0.03419 -0.03173 0.01266 0.05546 2 2S -0.12928 -0.03494 -0.25533 0.05685 -0.18078 3 2PX -0.28004 0.22199 0.28203 0.07764 0.04377 4 2PY 0.05186 -0.00460 0.17025 -0.15611 0.20105 5 2PZ 0.11131 -0.03110 -0.37528 0.06261 0.11235 6 3S -0.08135 -0.46166 0.36783 -0.53629 0.25865 7 3PX 0.24735 -0.02054 -0.26720 0.01731 0.05763 8 3PY -0.07459 -0.24499 -0.10794 0.23209 -0.45524 9 3PZ 0.00835 0.70402 0.43468 0.23762 0.19062 10 4XX 0.00738 -0.01966 0.00896 -0.02718 -0.03744 11 4YY -0.02019 0.00658 -0.04867 0.03028 0.04947 12 4ZZ -0.01938 0.03013 -0.06212 0.00617 0.02547 13 4XY 0.00809 0.00558 -0.03206 0.00823 -0.00424 14 4XZ -0.02571 -0.00242 -0.07268 -0.02850 0.02729 15 4YZ 0.00022 -0.00217 0.00732 0.02142 -0.01833 16 2 C 1S -0.00886 -0.00937 0.02908 -0.02169 -0.02630 17 2S -0.08577 0.05695 -0.18626 -0.03481 0.02398 18 2PX -0.03011 0.31432 -0.00974 0.32413 0.16987 19 2PY 0.08537 -0.13178 0.06475 0.14509 -0.05262 20 2PZ -0.07167 0.07066 -0.13892 -0.12578 0.36227 21 3S 0.15454 0.30155 0.35859 0.46932 -0.01187 22 3PX 0.07663 -0.28529 0.07161 -0.30985 -0.15380 23 3PY -0.26294 -0.03818 -0.04297 -0.97345 0.04407 24 3PZ 0.23817 0.54125 -0.00879 0.40655 -0.12394 25 4XX 0.00090 -0.00087 0.00583 -0.01250 0.01638 26 4YY -0.00435 0.01006 -0.03165 0.02122 -0.03421 27 4ZZ -0.01252 -0.00566 0.03949 -0.02514 -0.01697 28 4XY -0.02269 -0.02079 -0.02104 -0.01568 -0.01089 29 4XZ -0.01223 -0.00589 0.05174 0.02294 -0.04420 30 4YZ -0.00258 0.00999 -0.01164 0.02274 0.01009 31 3 C 1S -0.00897 0.00924 0.02908 -0.02169 0.02629 32 2S -0.08507 -0.05795 -0.18624 -0.03483 -0.02397 33 2PX -0.02627 -0.31463 -0.00977 0.32419 -0.16985 34 2PY -0.08380 -0.13273 -0.06475 -0.14510 -0.05263 35 2PZ -0.07074 -0.07154 -0.13890 -0.12569 -0.36224 36 3S 0.15827 -0.29967 0.35859 0.46940 0.01192 37 3PX 0.07311 0.28616 0.07169 -0.31004 0.15384 38 3PY 0.26349 -0.03502 0.04298 0.97354 0.04415 39 3PZ 0.24443 -0.53818 -0.00880 0.40623 0.12391 40 4XX 0.00087 0.00090 0.00583 -0.01251 -0.01638 41 4YY -0.00422 -0.01014 -0.03164 0.02122 0.03421 42 4ZZ -0.01258 0.00551 0.03949 -0.02513 0.01696 43 4XY 0.02294 -0.02050 0.02105 0.01567 -0.01089 44 4XZ -0.01229 0.00572 0.05174 0.02294 0.04421 45 4YZ 0.00246 0.01001 0.01165 -0.02275 0.01009 46 4 C 1S -0.00557 -0.03425 -0.03173 0.01267 -0.05546 47 2S -0.12966 0.03340 -0.25533 0.05684 0.18082 48 2PX -0.27732 -0.22535 0.28201 0.07758 -0.04377 49 2PY -0.05191 -0.00509 -0.17027 0.15601 0.20109 50 2PZ 0.11087 0.03248 -0.37526 0.06258 -0.11234 51 3S -0.08698 0.46056 0.36782 -0.53622 -0.25871 52 3PX 0.24704 0.02357 -0.26718 0.01737 -0.05761 53 3PY 0.07755 -0.24426 0.10797 -0.23210 -0.45531 54 3PZ 0.01687 -0.70384 0.43467 0.23757 -0.19060 55 4XX 0.00714 0.01974 0.00895 -0.02719 0.03744 56 4YY -0.02009 -0.00680 -0.04866 0.03030 -0.04946 57 4ZZ -0.01901 -0.03036 -0.06212 0.00617 -0.02546 58 4XY -0.00815 0.00550 0.03206 -0.00824 -0.00423 59 4XZ -0.02573 0.00210 -0.07268 -0.02849 -0.02729 60 4YZ -0.00019 -0.00215 -0.00732 -0.02142 -0.01832 61 5 H 1S -0.05448 0.07852 -0.31626 0.09189 0.17408 62 2S -0.01531 -0.21890 -0.00294 -0.11507 -0.10988 63 6 H 1S -0.05348 -0.07923 -0.31625 0.09194 -0.17408 64 2S -0.01793 0.21872 -0.00294 -0.11505 0.10989 65 7 C 1S -0.01720 0.01923 -0.01706 0.00680 -0.02229 66 2S -0.29038 0.05770 -0.03846 0.11543 -0.01574 67 2PX -0.15526 0.40897 0.01951 -0.05573 -0.07501 68 2PY 0.16924 0.32267 0.18695 0.12287 -0.33183 69 2PZ -0.13942 0.13133 0.03313 0.06752 -0.14266 70 3S 0.16212 -0.37630 -0.12910 -0.36429 -0.14464 71 3PX 0.44848 -1.04869 -0.00345 -0.00407 0.24992 72 3PY -0.46797 -0.06735 -0.39709 -0.31343 0.76166 73 3PZ 0.25071 -0.11050 0.04098 0.04647 0.13336 74 4XX -0.01752 -0.03026 -0.01017 -0.01021 0.04523 75 4YY -0.04887 0.05310 -0.02621 -0.00997 -0.06453 76 4ZZ 0.02192 -0.02926 -0.00096 0.03993 0.00358 77 4XY 0.03361 0.00098 -0.00221 -0.00515 -0.00138 78 4XZ -0.02812 -0.00463 -0.00235 0.01021 -0.00388 79 4YZ 0.02373 -0.01260 0.00916 -0.05940 0.00983 80 8 H 1S -0.08068 0.11227 -0.04668 0.30008 -0.19572 81 2S 0.34627 -0.08230 0.19259 0.04777 -0.13949 82 9 C 1S -0.01697 -0.01945 -0.01706 0.00680 0.02229 83 2S -0.28958 -0.06123 -0.03844 0.11545 0.01579 84 2PX -0.15026 -0.41073 0.01953 -0.05570 0.07504 85 2PY -0.17321 0.32056 -0.18695 -0.12286 -0.33189 86 2PZ -0.13770 -0.13297 0.03315 0.06755 0.14270 87 3S 0.15737 0.37826 -0.12925 -0.36436 0.14445 88 3PX 0.43563 1.05393 -0.00353 -0.00413 -0.24999 89 3PY 0.46882 -0.06165 0.39705 0.31342 0.76181 90 3PZ 0.24913 0.11345 0.04082 0.04639 -0.13344 91 4XX -0.01790 0.03005 -0.01017 -0.01021 -0.04524 92 4YY -0.04821 -0.05369 -0.02621 -0.00997 0.06453 93 4ZZ 0.02156 0.02952 -0.00096 0.03994 -0.00358 94 4XY -0.03362 0.00059 0.00221 0.00515 -0.00137 95 4XZ -0.02818 0.00429 -0.00235 0.01021 0.00388 96 4YZ -0.02358 -0.01289 -0.00916 0.05940 0.00983 97 10 H 1S -0.07929 -0.11331 -0.04669 0.30010 0.19576 98 2S 0.34522 0.08648 0.19252 0.04774 0.13951 99 11 H 1S -0.04974 0.01739 -0.06015 0.04097 0.15377 100 2S 0.08949 -0.05208 0.08312 0.42046 -0.05201 101 12 H 1S -0.04957 -0.01817 -0.06016 0.04096 -0.15379 102 2S 0.08882 0.05324 0.08312 0.42043 0.05206 103 13 C 1S 0.00587 0.00322 -0.01172 0.00303 0.02000 104 2S -0.00891 -0.03736 0.07002 0.06137 -0.05901 105 2PX -0.01222 0.09673 0.13854 0.11854 0.17772 106 2PY 0.27909 -0.02560 -0.09681 0.27459 -0.27645 107 2PZ 0.03266 0.05773 0.14591 0.15841 0.13698 108 3S 0.24729 0.12037 -0.03665 0.09621 0.38033 109 3PX 0.02268 -0.28179 -0.27188 -0.31614 -0.48864 110 3PY -0.50145 0.34057 0.07023 -0.64332 0.55974 111 3PZ -0.09862 -0.11687 -0.24099 -0.47754 -0.39469 112 4XX -0.01858 -0.01566 0.00731 -0.02495 0.00748 113 4YY 0.05384 0.00829 0.01428 0.06543 0.03102 114 4ZZ -0.01853 0.00026 -0.01550 -0.01610 -0.01499 115 4XY 0.01118 -0.00920 -0.01495 0.03494 -0.00994 116 4XZ 0.01929 0.01859 0.00465 0.02932 0.03332 117 4YZ 0.00129 -0.00669 -0.01440 0.03397 -0.00649 118 14 H 1S -0.05006 -0.00947 -0.15020 -0.03703 -0.02388 119 2S -0.05671 0.08798 -0.01944 -0.23087 0.03209 120 15 H 1S -0.04359 -0.01088 -0.09631 -0.10367 0.02473 121 2S 0.00568 0.09286 -0.08774 -0.14019 -0.04388 122 16 C 1S 0.00591 -0.00314 -0.01173 0.00305 -0.02000 123 2S -0.00944 0.03723 0.07003 0.06126 0.05902 124 2PX -0.01112 -0.09698 0.13853 0.11845 -0.17767 125 2PY -0.27868 -0.02915 0.09683 -0.27441 -0.27651 126 2PZ 0.03335 -0.05734 0.14590 0.15845 -0.13696 127 3S 0.24904 -0.11719 -0.03665 0.09665 -0.38028 128 3PX 0.01946 0.28217 -0.27182 -0.31587 0.48851 129 3PY 0.49716 0.34687 -0.07032 0.64299 0.55989 130 3PZ -0.09996 0.11560 -0.24103 -0.47753 0.39464 131 4XX -0.01878 0.01544 0.00730 -0.02496 -0.00748 132 4YY 0.05394 -0.00762 0.01428 0.06543 -0.03101 133 4ZZ -0.01852 -0.00050 -0.01550 -0.01610 0.01498 134 4XY -0.01107 -0.00933 0.01495 -0.03493 -0.00994 135 4XZ 0.01952 -0.01835 0.00465 0.02933 -0.03332 136 4YZ -0.00122 -0.00669 0.01440 -0.03397 -0.00650 137 17 H 1S -0.05014 0.00880 -0.15018 -0.03700 0.02390 138 2S -0.05561 -0.08870 -0.01946 -0.23077 -0.03215 139 18 H 1S -0.04374 0.01034 -0.09632 -0.10365 -0.02481 140 2S 0.00686 -0.09277 -0.08771 -0.14012 0.04386 141 19 O 1S 0.00071 -0.00088 0.00393 -0.00281 0.00559 142 2S -0.14506 0.07432 -0.02415 0.12859 -0.01190 143 2PX -0.02987 0.06663 0.01761 -0.02361 -0.08601 144 2PY 0.05383 0.03400 0.03973 0.12466 -0.05802 145 2PZ -0.11989 0.08295 0.00201 0.03880 0.05790 146 3S 0.41747 0.12430 0.05883 -0.22968 -0.23271 147 3PX 0.02864 -0.06880 -0.02943 0.00899 0.13483 148 3PY -0.09373 -0.04965 0.06803 0.04127 0.00769 149 3PZ 0.04704 -0.16680 -0.01203 -0.04073 0.02847 150 4XX -0.04462 0.04106 0.00667 0.04045 -0.03515 151 4YY -0.01090 0.01293 -0.00890 0.03627 0.01873 152 4ZZ -0.05746 0.04052 -0.00432 0.04198 0.00242 153 4XY -0.02379 0.03577 0.00069 0.02321 -0.00373 154 4XZ -0.02255 0.05851 0.01144 0.00161 -0.02439 155 4YZ -0.01682 0.02146 0.00409 0.00721 -0.00298 156 20 O 1S 0.00070 0.00089 0.00392 -0.00281 -0.00559 157 2S -0.14414 -0.07612 -0.02417 0.12860 0.01191 158 2PX -0.02905 -0.06697 0.01762 -0.02362 0.08603 159 2PY -0.05428 0.03332 -0.03974 -0.12469 -0.05807 160 2PZ -0.11884 -0.08439 0.00201 0.03881 -0.05791 161 3S 0.41908 -0.11910 0.05895 -0.22964 0.23279 162 3PX 0.02778 0.06913 -0.02947 0.00899 -0.13487 163 3PY 0.09435 -0.04850 -0.06802 -0.04125 0.00771 164 3PZ 0.04499 0.16736 -0.01204 -0.04074 -0.02850 165 4XX -0.04410 -0.04161 0.00667 0.04046 0.03515 166 4YY -0.01074 -0.01307 -0.00891 0.03627 -0.01872 167 4ZZ -0.05696 -0.04122 -0.00433 0.04198 -0.00242 168 4XY 0.02335 0.03606 -0.00069 -0.02321 -0.00374 169 4XZ -0.02182 -0.05876 0.01145 0.00162 0.02440 170 4YZ 0.01656 0.02166 -0.00409 -0.00721 -0.00299 171 21 C 1S -0.01338 -0.00009 -0.00393 0.00911 0.00000 172 2S 0.13389 0.00082 0.01477 -0.00608 0.00001 173 2PX -0.31955 -0.00197 -0.04696 0.11427 0.00000 174 2PY 0.00169 -0.28185 -0.00001 -0.00001 0.00404 175 2PZ -0.28020 -0.00170 -0.03450 0.08451 -0.00001 176 3S -0.20409 -0.00123 0.07411 -0.04474 -0.00001 177 3PX 1.22975 0.00750 0.08589 -0.44163 -0.00004 178 3PY -0.00278 0.46357 0.00000 0.00001 -0.04092 179 3PZ 0.95404 0.00579 0.09770 -0.31162 0.00000 180 4XX 0.02724 0.00017 -0.00286 -0.01225 0.00000 181 4YY -0.03110 -0.00019 0.00298 -0.02451 0.00000 182 4ZZ -0.03339 -0.00021 -0.00042 0.05074 0.00000 183 4XY 0.00000 -0.00163 0.00000 0.00000 -0.00914 184 4XZ 0.03159 0.00019 0.00663 -0.01389 0.00000 185 4YZ -0.00013 0.02010 0.00000 0.00000 0.00020 186 22 H 1S -0.23752 -0.00146 -0.02163 0.21998 0.00001 187 2S -0.56463 -0.00342 -0.08103 0.10703 0.00000 188 23 H 1S -0.20345 -0.00123 -0.03743 0.10416 0.00002 189 2S -0.10953 -0.00068 0.00857 0.05194 0.00001 81 82 83 84 85 V V V V V Eigenvalues -- 0.65172 0.68028 0.69177 0.72548 0.73815 1 1 C 1S -0.02705 -0.01105 0.00309 -0.00262 -0.01280 2 2S 0.03191 -0.07474 -0.11111 -0.06391 0.01147 3 2PX 0.20961 -0.42526 0.03946 0.10133 0.28316 4 2PY -0.11670 -0.02753 0.03272 0.01833 -0.22136 5 2PZ -0.17568 0.32683 -0.09967 -0.03116 -0.05317 6 3S -0.27779 0.33994 -0.06825 -0.21088 -0.31253 7 3PX -0.34099 0.67920 0.04592 -0.30931 -0.49912 8 3PY 0.37538 -0.37662 0.06230 -0.11394 0.00574 9 3PZ 0.24947 -0.65704 0.30926 0.15603 0.61345 10 4XX 0.00578 0.00644 0.00539 0.00330 0.00987 11 4YY -0.02391 0.00064 -0.01209 -0.01486 -0.02901 12 4ZZ -0.01605 -0.01299 -0.00240 -0.00507 -0.00716 13 4XY 0.00470 -0.00628 -0.00836 -0.00299 -0.00715 14 4XZ -0.04811 0.00090 -0.02597 -0.00399 -0.00669 15 4YZ -0.00862 -0.00422 0.05507 0.02040 -0.01717 16 2 C 1S 0.01397 -0.00842 0.01429 -0.00263 0.00059 17 2S -0.21850 0.01744 -0.19791 0.20498 0.02590 18 2PX 0.26834 0.02130 -0.00015 -0.60154 -0.31935 19 2PY 0.18284 0.00758 0.29997 0.00472 0.13175 20 2PZ -0.06295 -0.03476 0.04331 -0.05526 0.20365 21 3S 0.74023 -0.24360 0.42997 -0.65651 0.46683 22 3PX -0.39136 -0.13889 -0.38481 1.28428 0.57582 23 3PY -0.61127 0.01693 -0.67401 -0.02761 -0.44666 24 3PZ -0.24654 0.38567 0.09331 0.44628 0.10098 25 4XX -0.00162 0.01036 -0.01113 -0.01101 0.01416 26 4YY 0.01558 -0.00523 0.03445 0.03788 -0.00751 27 4ZZ -0.01442 -0.00482 -0.01712 -0.00588 0.01530 28 4XY -0.00391 0.02113 -0.01554 0.00186 0.02190 29 4XZ 0.03869 -0.02207 -0.00297 -0.00526 0.01397 30 4YZ 0.01261 0.02804 0.00585 -0.01374 0.01525 31 3 C 1S -0.01397 0.00843 0.01428 -0.00264 -0.00060 32 2S 0.21850 -0.01754 -0.19791 0.20496 -0.02609 33 2PX -0.26828 -0.02130 -0.00017 -0.60131 0.31967 34 2PY 0.18282 0.00741 -0.30005 -0.00467 0.13153 35 2PZ 0.06293 0.03474 0.04319 -0.05536 -0.20347 36 3S -0.74014 0.24388 0.42993 -0.65685 -0.46612 37 3PX 0.39134 0.13870 -0.38495 1.28390 -0.57654 38 3PY -0.61108 0.01737 0.67427 0.02738 -0.44590 39 3PZ 0.24672 -0.38549 0.09347 0.44611 -0.10139 40 4XX 0.00162 -0.01036 -0.01114 -0.01102 -0.01416 41 4YY -0.01558 0.00525 0.03446 0.03788 0.00751 42 4ZZ 0.01442 0.00481 -0.01711 -0.00589 -0.01532 43 4XY -0.00391 0.02114 0.01552 -0.00185 0.02189 44 4XZ -0.03869 0.02207 -0.00297 -0.00527 -0.01398 45 4YZ 0.01260 0.02804 -0.00586 0.01375 0.01522 46 4 C 1S 0.02706 0.01105 0.00307 -0.00261 0.01281 47 2S -0.03190 0.07466 -0.11109 -0.06394 -0.01147 48 2PX -0.20962 0.42526 0.03918 0.10110 -0.28298 49 2PY -0.11667 -0.02752 -0.03270 -0.01849 -0.22124 50 2PZ 0.17572 -0.32688 -0.09952 -0.03109 0.05321 51 3S 0.27763 -0.34004 -0.06836 -0.21052 0.31259 52 3PX 0.34102 -0.67910 0.04636 -0.30894 0.49912 53 3PY 0.37537 -0.37668 -0.06233 0.11399 0.00540 54 3PZ -0.24943 0.65727 0.30883 0.15550 -0.61334 55 4XX -0.00579 -0.00643 0.00540 0.00329 -0.00989 56 4YY 0.02391 -0.00064 -0.01210 -0.01484 0.02903 57 4ZZ 0.01605 0.01298 -0.00242 -0.00506 0.00716 58 4XY 0.00470 -0.00628 0.00836 0.00299 -0.00716 59 4XZ 0.04811 -0.00092 -0.02598 -0.00398 0.00670 60 4YZ -0.00862 -0.00425 -0.05508 -0.02041 -0.01718 61 5 H 1S -0.12495 -0.04826 0.07862 -0.01083 -0.11882 62 2S 0.07851 0.20181 -0.22974 -0.01111 -0.02331 63 6 H 1S 0.12497 0.04827 0.07856 -0.01073 0.11897 64 2S -0.07855 -0.20194 -0.22961 -0.01106 0.02309 65 7 C 1S -0.00302 0.01236 0.01251 0.01722 0.00355 66 2S -0.14492 -0.01093 -0.24293 0.17828 0.30951 67 2PX -0.25114 0.24592 -0.00244 0.08659 0.33623 68 2PY 0.09191 0.03575 -0.19388 0.05963 -0.35319 69 2PZ -0.00412 -0.02765 -0.30363 -0.10757 -0.10828 70 3S 0.82830 -0.15679 0.58337 -0.73358 -1.81380 71 3PX 0.69248 -0.66918 0.20408 -0.10530 -0.96927 72 3PY -0.46498 -0.11371 0.42045 -0.34443 1.06001 73 3PZ 0.46838 -0.05528 0.52459 -0.00375 -0.36087 74 4XX -0.01583 -0.02125 0.02836 -0.00624 0.02784 75 4YY 0.01911 0.00450 -0.00311 0.01197 -0.05514 76 4ZZ -0.00199 0.00772 -0.03120 0.02418 0.01513 77 4XY 0.00552 -0.00004 0.01238 -0.04184 -0.01500 78 4XZ 0.01721 -0.01093 0.01009 -0.00442 -0.00250 79 4YZ -0.00196 -0.00794 -0.01281 -0.01985 -0.00168 80 8 H 1S 0.03772 0.14259 0.09261 0.15538 -0.00502 81 2S 0.30781 -0.04332 -0.05767 0.10468 -0.30444 82 9 C 1S 0.00301 -0.01236 0.01251 0.01722 -0.00356 83 2S 0.14489 0.01083 -0.24296 0.17812 -0.30952 84 2PX 0.25110 -0.24591 -0.00240 0.08640 -0.33626 85 2PY 0.09190 0.03581 0.19383 -0.05981 -0.35316 86 2PZ 0.00412 0.02750 -0.30358 -0.10747 0.10840 87 3S -0.82824 0.15695 0.58336 -0.73265 1.81410 88 3PX -0.69244 0.66925 0.20391 -0.10481 0.96941 89 3PY -0.46496 -0.11381 -0.42037 0.34496 1.05976 90 3PZ -0.46835 0.05556 0.52443 -0.00366 0.36074 91 4XX 0.01583 0.02126 0.02834 -0.00626 -0.02782 92 4YY -0.01911 -0.00451 -0.00311 0.01200 0.05514 93 4ZZ 0.00199 -0.00773 -0.03119 0.02418 -0.01516 94 4XY 0.00552 -0.00003 -0.01238 0.04183 -0.01508 95 4XZ -0.01721 0.01094 0.01008 -0.00441 0.00247 96 4YZ -0.00195 -0.00792 0.01282 0.01985 -0.00174 97 10 H 1S -0.03769 -0.14248 0.09269 0.15542 0.00463 98 2S -0.30781 0.04332 -0.05773 0.10477 0.30464 99 11 H 1S -0.00796 0.11810 0.09499 0.08251 0.11906 100 2S -0.08406 -0.02826 0.18099 -0.03279 -0.15539 101 12 H 1S 0.00794 -0.11805 0.09501 0.08245 -0.11911 102 2S 0.08414 0.02840 0.18087 -0.03269 0.15575 103 13 C 1S 0.03344 0.01269 0.00232 0.02057 0.00225 104 2S -0.36320 -0.14246 -0.06150 -0.07661 -0.02996 105 2PX -0.18185 -0.05330 -0.11952 -0.02760 -0.17411 106 2PY -0.43153 -0.38020 -0.03932 0.27248 -0.05976 107 2PZ -0.18923 -0.00873 0.21918 -0.14523 -0.11628 108 3S 1.35465 0.49361 -0.19879 0.88302 0.04521 109 3PX 0.73042 0.17920 0.18203 0.18472 0.57200 110 3PY 1.10593 1.17786 0.02540 -0.60359 0.56086 111 3PZ 0.70719 0.22565 -0.55624 0.47805 0.48906 112 4XX -0.00855 -0.02160 0.02303 0.02159 -0.01866 113 4YY 0.03530 0.03474 -0.01661 0.01567 0.00760 114 4ZZ -0.01897 -0.01540 -0.02913 -0.00281 0.01238 115 4XY -0.00597 -0.00585 0.08187 -0.00065 -0.00115 116 4XZ 0.00446 -0.02043 -0.01862 0.04490 -0.02133 117 4YZ -0.00855 0.00058 -0.01216 -0.02206 0.00456 118 14 H 1S 0.08924 0.09926 -0.11472 0.01215 0.17246 119 2S 0.27919 0.27596 -0.11299 0.12627 0.24076 120 15 H 1S 0.16703 0.09452 0.26506 0.14314 -0.00009 121 2S 0.29321 0.23791 -0.07197 -0.08439 0.29269 122 16 C 1S -0.03344 -0.01268 0.00232 0.02057 -0.00226 123 2S 0.36319 0.14244 -0.06158 -0.07658 0.02994 124 2PX 0.18180 0.05325 -0.11961 -0.02747 0.17425 125 2PY -0.43156 -0.38022 0.03953 -0.27254 -0.05967 126 2PZ 0.18930 0.00890 0.21920 -0.14512 0.11642 127 3S -1.35459 -0.49366 -0.19839 0.88296 -0.04563 128 3PX -0.73032 -0.17909 0.18243 0.18432 -0.57247 129 3PY 1.10599 1.17792 -0.02606 0.60400 0.56074 130 3PZ -0.70746 -0.22612 -0.55599 0.47771 -0.48972 131 4XX 0.00854 0.02161 0.02302 0.02160 0.01863 132 4YY -0.03530 -0.03474 -0.01659 0.01567 -0.00760 133 4ZZ 0.01897 0.01539 -0.02915 -0.00282 -0.01239 134 4XY -0.00598 -0.00589 -0.08188 0.00065 -0.00119 135 4XZ -0.00446 0.02043 -0.01863 0.04491 0.02132 136 4YZ -0.00853 0.00060 0.01216 0.02206 0.00452 137 17 H 1S -0.08929 -0.09934 -0.11469 0.01202 -0.17252 138 2S -0.27921 -0.27603 -0.11281 0.12614 -0.24105 139 18 H 1S -0.16702 -0.09437 0.26513 0.14318 0.00003 140 2S -0.29322 -0.23798 -0.07182 -0.08458 -0.29290 141 19 O 1S 0.00306 -0.00532 0.00255 -0.01048 -0.00590 142 2S 0.08955 -0.08651 0.03189 0.03914 -0.05296 143 2PX -0.07771 0.11956 -0.13656 0.13295 0.06776 144 2PY -0.03029 0.05696 -0.09922 0.07874 0.01595 145 2PZ 0.01281 -0.13666 0.09678 -0.01337 -0.01198 146 3S -0.51425 0.46014 -0.39369 0.21380 0.50749 147 3PX 0.13525 -0.12462 0.21869 -0.22023 -0.19587 148 3PY 0.08223 -0.06046 0.05741 -0.05995 -0.10735 149 3PZ 0.06455 0.00467 0.05046 -0.05647 -0.12982 150 4XX 0.01615 -0.00966 -0.03324 0.01995 -0.01823 151 4YY 0.02508 -0.03828 0.02546 0.01238 0.00102 152 4ZZ 0.01864 -0.02236 0.01078 -0.00368 -0.02300 153 4XY -0.00929 0.00120 -0.00983 0.00299 0.02224 154 4XZ -0.01858 0.00569 -0.04168 -0.00042 0.02494 155 4YZ -0.02211 0.01684 -0.00350 0.02439 0.03998 156 20 O 1S -0.00306 0.00532 0.00255 -0.01048 0.00591 157 2S -0.08955 0.08655 0.03183 0.03916 0.05297 158 2PX 0.07770 -0.11962 -0.13649 0.13293 -0.06779 159 2PY -0.03029 0.05697 0.09920 -0.07874 0.01610 160 2PZ -0.01281 0.13672 0.09671 -0.01339 0.01191 161 3S 0.51421 -0.46035 -0.39344 0.21360 -0.50778 162 3PX -0.13523 0.12470 0.21861 -0.22013 0.19602 163 3PY 0.08222 -0.06048 -0.05738 0.05990 -0.10751 164 3PZ -0.06454 -0.00464 0.05049 -0.05637 0.12980 165 4XX -0.01615 0.00965 -0.03325 0.01996 0.01823 166 4YY -0.02507 0.03830 0.02544 0.01238 -0.00104 167 4ZZ -0.01864 0.02238 0.01076 -0.00367 0.02304 168 4XY -0.00929 0.00120 0.00983 -0.00298 0.02225 169 4XZ 0.01857 -0.00571 -0.04168 -0.00044 -0.02490 170 4YZ -0.02211 0.01684 0.00350 -0.02437 0.04003 171 21 C 1S 0.00000 0.00000 0.00618 0.02053 0.00000 172 2S 0.00000 -0.00002 -0.09208 0.00948 0.00002 173 2PX 0.00000 -0.00001 -0.01960 -0.03796 0.00005 174 2PY -0.01458 0.05934 -0.00002 -0.00002 -0.04079 175 2PZ 0.00001 0.00006 0.15453 0.04676 -0.00013 176 3S 0.00000 -0.00001 0.06228 -0.10408 0.00003 177 3PX 0.00003 0.00006 0.30966 -0.03019 -0.00027 178 3PY 0.01172 -0.09557 0.00004 0.00006 0.17809 179 3PZ -0.00001 -0.00019 -0.41063 -0.24262 0.00042 180 4XX 0.00000 0.00000 0.00405 -0.01179 0.00003 181 4YY 0.00000 -0.00001 -0.02020 -0.00829 0.00002 182 4ZZ 0.00000 0.00001 0.01100 0.04668 -0.00004 183 4XY -0.00650 0.01354 0.00000 0.00000 0.00509 184 4XZ 0.00000 0.00001 0.05212 0.01092 -0.00006 185 4YZ -0.00623 -0.00342 0.00000 0.00000 0.00593 186 22 H 1S 0.00001 0.00008 0.13342 0.27277 -0.00024 187 2S -0.00001 0.00004 0.03655 -0.00123 0.00003 188 23 H 1S -0.00002 -0.00004 -0.20245 0.11883 0.00017 189 2S -0.00001 -0.00006 -0.17285 -0.04192 0.00008 86 87 88 89 90 V V V V V Eigenvalues -- 0.74711 0.76306 0.80486 0.81303 0.82474 1 1 C 1S 0.01222 -0.02003 -0.02024 0.01430 0.00355 2 2S -0.02238 0.21873 0.05082 -0.07753 -0.04128 3 2PX 0.22099 -0.07106 -0.06552 0.17876 -0.09741 4 2PY -0.11373 0.16087 0.17430 -0.23603 -0.00290 5 2PZ -0.05014 -0.20231 0.02547 -0.05895 -0.06323 6 3S -0.27119 -0.95291 0.57497 0.97469 -0.19767 7 3PX -0.16979 0.23191 0.28369 -0.25705 0.19304 8 3PY 0.25407 -0.45433 -0.64330 0.65010 -0.08956 9 3PZ 0.39398 0.45513 -0.66260 -0.05524 0.20507 10 4XX -0.02254 0.02450 0.00099 -0.04548 0.00858 11 4YY 0.01616 -0.00379 0.02834 0.01701 -0.00641 12 4ZZ 0.00169 -0.02142 -0.02642 0.02659 -0.00918 13 4XY 0.00061 0.02103 0.00259 -0.02250 0.01103 14 4XZ 0.00214 0.00216 -0.01637 0.00749 0.01045 15 4YZ 0.05012 0.05558 -0.00007 -0.02724 0.02498 16 2 C 1S -0.01330 0.00256 0.01210 -0.01071 -0.00455 17 2S -0.02117 0.13456 -0.15472 0.27158 -0.12693 18 2PX -0.05405 0.03445 0.34002 -0.02887 0.08316 19 2PY 0.28872 -0.10275 0.08672 -0.12299 0.03057 20 2PZ 0.05045 -0.55738 -0.16223 0.18842 -0.06283 21 3S 0.25798 0.13583 0.58162 -0.73589 0.49454 22 3PX 0.13905 0.12691 -1.21172 0.01494 -0.14544 23 3PY -1.04261 -0.00972 -0.02335 0.13516 -0.10984 24 3PZ 0.15789 1.26012 -0.06867 -0.78500 0.23277 25 4XX -0.01097 -0.03176 0.02418 -0.00884 0.00133 26 4YY 0.03195 0.02714 -0.03337 0.01843 -0.01718 27 4ZZ -0.01940 0.03468 0.01518 -0.00201 0.00396 28 4XY 0.00145 -0.00035 0.01275 0.00436 -0.00288 29 4XZ -0.00291 0.00951 0.01783 0.00125 -0.00678 30 4YZ 0.00553 -0.04400 0.00464 0.01691 -0.00798 31 3 C 1S -0.01329 0.00256 -0.01209 -0.01071 -0.00455 32 2S -0.02115 0.13456 0.15458 0.27160 -0.12694 33 2PX -0.05430 0.03441 -0.34002 -0.02891 0.08318 34 2PY -0.28885 0.10272 0.08669 0.12299 -0.03061 35 2PZ 0.05064 -0.55745 0.16223 0.18856 -0.06291 36 3S 0.25846 0.13589 -0.58127 -0.73558 0.49467 37 3PX 0.13945 0.12701 1.21185 0.01499 -0.14553 38 3PY 1.04307 0.00994 -0.02335 -0.13490 0.11002 39 3PZ 0.15773 1.26026 0.06882 -0.78519 0.23313 40 4XX -0.01096 -0.03178 -0.02418 -0.00885 0.00132 41 4YY 0.03194 0.02716 0.03336 0.01844 -0.01718 42 4ZZ -0.01938 0.03467 -0.01519 -0.00201 0.00396 43 4XY -0.00148 0.00035 0.01275 -0.00434 0.00288 44 4XZ -0.00289 0.00951 -0.01783 0.00125 -0.00678 45 4YZ -0.00554 0.04401 0.00465 -0.01691 0.00799 46 4 C 1S 0.01222 -0.02003 0.02024 0.01431 0.00355 47 2S -0.02239 0.21876 -0.05085 -0.07760 -0.04119 48 2PX 0.22126 -0.07109 0.06546 0.17873 -0.09746 49 2PY 0.11388 -0.16092 0.17424 0.23617 0.00293 50 2PZ -0.05024 -0.20231 -0.02545 -0.05904 -0.06325 51 3S -0.27135 -0.95320 -0.57524 0.97431 -0.19806 52 3PX -0.17026 0.23196 -0.28360 -0.25683 0.19322 53 3PY -0.25410 0.45430 -0.64304 -0.65072 0.08958 54 3PZ 0.39457 0.45520 0.66261 -0.05453 0.20519 55 4XX -0.02254 0.02451 -0.00098 -0.04549 0.00859 56 4YY 0.01614 -0.00379 -0.02836 0.01699 -0.00642 57 4ZZ 0.00168 -0.02143 0.02642 0.02660 -0.00918 58 4XY -0.00061 -0.02102 0.00257 0.02250 -0.01103 59 4XZ 0.00214 0.00216 0.01638 0.00748 0.01045 60 4YZ -0.05010 -0.05559 -0.00008 0.02724 -0.02499 61 5 H 1S 0.15964 -0.03613 -0.01131 0.02828 0.08467 62 2S -0.32042 -0.11182 0.43471 -0.20974 -0.17863 63 6 H 1S 0.15955 -0.03612 0.01140 0.02831 0.08467 64 2S -0.32046 -0.11186 -0.43469 -0.21025 -0.17865 65 7 C 1S -0.00483 -0.00630 -0.00772 0.00232 -0.02181 66 2S 0.13185 0.14657 0.06512 0.03760 0.01823 67 2PX 0.01066 -0.16303 0.14950 -0.09571 -0.02931 68 2PY -0.02937 -0.09320 -0.45787 0.11409 -0.01695 69 2PZ 0.02772 0.20280 0.16796 -0.02370 -0.01201 70 3S -0.12577 0.23488 -1.02557 -0.13406 0.06242 71 3PX 0.12472 0.10733 -0.61652 0.23504 0.04036 72 3PY 0.12383 0.32925 1.70503 -0.30747 0.11582 73 3PZ -0.06498 -0.18927 -0.36392 0.14802 -0.05628 74 4XX 0.01209 -0.02359 0.01202 0.02510 -0.04625 75 4YY 0.02140 0.03119 -0.07973 -0.01743 0.01786 76 4ZZ -0.01808 0.00371 0.02497 0.02679 -0.01479 77 4XY 0.07014 0.03953 -0.00315 0.00068 0.00225 78 4XZ -0.02711 0.02693 0.01690 0.05696 -0.05356 79 4YZ 0.05115 -0.01243 -0.01770 -0.02226 0.02976 80 8 H 1S -0.30469 0.03171 0.15990 0.11620 -0.23272 81 2S 0.30915 -0.22574 -0.76525 0.03691 0.12824 82 9 C 1S -0.00482 -0.00630 0.00772 0.00232 -0.02180 83 2S 0.13216 0.14648 -0.06511 0.03758 0.01819 84 2PX 0.01097 -0.16311 -0.14947 -0.09577 -0.02929 85 2PY 0.02973 0.09305 -0.45784 -0.11430 0.01706 86 2PZ 0.02766 0.20283 -0.16799 -0.02384 -0.01186 87 3S -0.12761 0.23539 1.02546 -0.13358 0.06215 88 3PX 0.12377 0.10759 0.61648 0.23536 0.04016 89 3PY -0.12493 -0.32884 1.70500 0.30824 -0.11642 90 3PZ -0.06541 -0.18921 0.36385 0.14844 -0.05676 91 4XX 0.01211 -0.02360 -0.01204 0.02510 -0.04625 92 4YY 0.02134 0.03121 0.07974 -0.01740 0.01784 93 4ZZ -0.01806 0.00370 -0.02497 0.02677 -0.01478 94 4XY -0.07013 -0.03953 -0.00314 -0.00068 -0.00225 95 4XZ -0.02711 0.02693 -0.01693 0.05695 -0.05356 96 4YZ -0.05115 0.01243 -0.01772 0.02225 -0.02975 97 10 H 1S -0.30466 0.03171 -0.15999 0.11609 -0.23268 98 2S 0.30878 -0.22562 0.76534 0.03741 0.12778 99 11 H 1S 0.03175 0.13878 0.02175 0.04552 -0.05993 100 2S 0.43295 -0.05358 -0.10157 0.00578 0.03186 101 12 H 1S 0.03184 0.13873 -0.02176 0.04553 -0.05993 102 2S 0.43278 -0.05364 0.10146 0.00568 0.03178 103 13 C 1S 0.00492 0.02120 0.00061 0.00547 -0.00248 104 2S -0.06882 0.08090 0.01305 0.05604 0.04208 105 2PX 0.05010 -0.18927 0.01354 -0.01734 0.02757 106 2PY 0.14838 0.13641 0.22719 -0.00291 -0.03279 107 2PZ 0.05479 -0.02906 -0.38739 -0.06990 -0.03277 108 3S 0.26756 0.14580 -0.07854 -0.35981 -0.14364 109 3PX -0.22064 0.65389 0.23013 -0.01019 -0.03086 110 3PY -0.45969 -0.15041 -1.04909 0.17382 0.05953 111 3PZ -0.30542 0.14108 1.30887 0.19105 -0.01597 112 4XX -0.00633 0.02778 0.04700 0.02610 0.00362 113 4YY 0.01690 0.00218 -0.01877 -0.00963 0.00598 114 4ZZ -0.01476 0.00980 -0.02143 -0.00801 -0.00601 115 4XY 0.04705 0.00061 0.00244 -0.00566 0.01017 116 4XZ 0.01873 0.00568 0.01295 -0.00612 -0.01203 117 4YZ 0.02499 -0.04249 -0.01035 -0.00552 -0.01623 118 14 H 1S -0.01823 0.08882 -0.17675 -0.00378 -0.05365 119 2S -0.26094 0.15202 0.54930 0.21733 0.07950 120 15 H 1S 0.05691 0.24702 0.19034 0.11714 0.02693 121 2S -0.20381 0.20502 -0.36154 -0.02054 -0.04354 122 16 C 1S 0.00492 0.02119 -0.00062 0.00547 -0.00248 123 2S -0.06884 0.08090 -0.01307 0.05599 0.04212 124 2PX 0.04986 -0.18922 -0.01349 -0.01735 0.02770 125 2PY -0.14839 -0.13638 0.22724 0.00291 0.03281 126 2PZ 0.05476 -0.02904 0.38731 -0.06981 -0.03291 127 3S 0.26761 0.14590 0.07877 -0.35948 -0.14367 128 3PX -0.21980 0.65375 -0.23014 -0.01013 -0.03126 129 3PY 0.45942 0.15026 -1.04912 -0.17390 -0.05968 130 3PZ -0.30518 0.14112 -1.30873 0.19093 -0.01558 131 4XX -0.00634 0.02777 -0.04700 0.02607 0.00362 132 4YY 0.01690 0.00219 0.01878 -0.00963 0.00599 133 4ZZ -0.01474 0.00979 0.02142 -0.00799 -0.00602 134 4XY -0.04705 -0.00061 0.00242 0.00566 -0.01017 135 4XZ 0.01872 0.00569 -0.01295 -0.00610 -0.01202 136 4YZ -0.02500 0.04249 -0.01033 0.00551 0.01623 137 17 H 1S -0.01811 0.08880 0.17661 -0.00367 -0.05371 138 2S -0.26083 0.15204 -0.54923 0.21716 0.07979 139 18 H 1S 0.05694 0.24700 -0.19034 0.11704 0.02696 140 2S -0.20350 0.20501 0.36139 -0.02041 -0.04377 141 19 O 1S 0.01075 0.00577 0.00410 0.00802 -0.00382 142 2S 0.03462 -0.02260 -0.03038 -0.18143 0.17795 143 2PX 0.04310 -0.07612 -0.01795 -0.19284 0.17578 144 2PY -0.16256 -0.08074 0.01317 -0.04399 0.02575 145 2PZ -0.07627 0.00932 0.00093 -0.07580 0.20053 146 3S -0.25911 -0.07788 0.13721 0.00573 -0.14756 147 3PX 0.05334 0.11345 0.10024 0.26611 -0.11899 148 3PY 0.19192 0.03883 -0.12408 0.23153 -0.13607 149 3PZ -0.04959 0.02479 0.02615 -0.06397 -0.31845 150 4XX 0.00698 0.00828 -0.01900 -0.04716 0.07346 151 4YY -0.02043 -0.01746 0.02969 -0.06179 0.06072 152 4ZZ 0.04615 -0.01042 -0.01714 -0.05524 0.03657 153 4XY -0.01375 -0.00860 0.03108 0.02247 -0.03533 154 4XZ 0.03085 0.00713 0.00349 -0.03574 -0.00759 155 4YZ -0.03919 -0.01439 0.01024 0.03354 0.02396 156 20 O 1S 0.01074 0.00577 -0.00411 0.00802 -0.00382 157 2S 0.03459 -0.02257 0.03048 -0.18141 0.17791 158 2PX 0.04316 -0.07614 0.01810 -0.19284 0.17577 159 2PY 0.16254 0.08074 0.01316 0.04399 -0.02574 160 2PZ -0.07628 0.00932 -0.00090 -0.07579 0.20055 161 3S -0.25864 -0.07800 -0.13722 0.00558 -0.14741 162 3PX 0.05315 0.11347 -0.10042 0.26613 -0.11900 163 3PY -0.19180 -0.03886 -0.12400 -0.23157 0.13610 164 3PZ -0.04972 0.02480 -0.02618 -0.06398 -0.31845 165 4XX 0.00697 0.00829 0.01902 -0.04716 0.07345 166 4YY -0.02043 -0.01746 -0.02966 -0.06180 0.06072 167 4ZZ 0.04613 -0.01041 0.01717 -0.05523 0.03656 168 4XY 0.01373 0.00861 0.03109 -0.02246 0.03532 169 4XZ 0.03088 0.00712 -0.00348 -0.03574 -0.00759 170 4YZ 0.03915 0.01440 0.01024 -0.03353 -0.02397 171 21 C 1S 0.01030 -0.01308 0.00002 -0.03637 0.04840 172 2S 0.06048 0.09789 0.00004 -0.29444 0.17750 173 2PX 0.10443 0.07457 -0.00007 0.33829 0.11396 174 2PY 0.00003 0.00000 0.00342 -0.00001 0.00000 175 2PZ -0.25447 -0.04920 0.00003 -0.54437 -0.68796 176 3S -0.01782 -0.15521 -0.00011 0.67898 -0.44931 177 3PX -0.65989 -0.20922 0.00008 -0.61466 -0.35094 178 3PY -0.00010 0.00000 -0.07795 0.00001 0.00000 179 3PZ 0.78189 0.14712 -0.00011 1.32625 1.42340 180 4XX 0.05430 -0.01380 0.00001 -0.05378 -0.04500 181 4YY 0.05374 0.03188 0.00000 -0.02641 0.01358 182 4ZZ -0.06081 -0.01817 0.00001 0.01010 0.11152 183 4XY 0.00000 0.00000 0.01158 0.00000 0.00000 184 4XZ -0.11369 -0.00890 -0.00001 0.06826 0.07691 185 4YZ 0.00000 0.00000 0.01395 0.00000 0.00000 186 22 H 1S -0.32989 -0.14082 0.00009 0.00717 0.76020 187 2S 0.03562 0.06895 0.00006 -1.06672 -1.32140 188 23 H 1S 0.42967 -0.10588 0.00014 -0.53915 -0.10206 189 2S 0.18979 0.23692 -0.00014 1.03442 1.09339 91 92 93 94 95 V V V V V Eigenvalues -- 0.83568 0.84781 0.84911 0.85911 0.86660 1 1 C 1S 0.01251 -0.01440 0.01509 0.00236 0.02009 2 2S -0.25395 0.11424 0.04114 0.05283 -0.19904 3 2PX 0.03023 0.02685 -0.33336 -0.01762 -0.18900 4 2PY 0.35200 0.15049 -0.43494 -0.10273 -0.09683 5 2PZ -0.04062 0.08810 -0.27577 -0.19414 -0.45521 6 3S 1.50851 -0.58014 -1.44868 0.40436 -0.16901 7 3PX -0.19899 -0.10836 1.39374 0.03612 0.57365 8 3PY -0.79519 -0.32507 1.95111 0.34732 0.59490 9 3PZ -0.26953 -0.11859 1.49238 0.25399 1.43838 10 4XX -0.01688 0.01196 0.00999 -0.03512 -0.01869 11 4YY 0.04399 0.00395 -0.06335 0.01867 -0.03643 12 4ZZ -0.02804 -0.01547 0.01943 0.01810 0.00622 13 4XY 0.00168 0.00056 -0.00842 -0.02051 0.01837 14 4XZ -0.02264 -0.01509 0.00495 -0.01950 0.03007 15 4YZ -0.00641 -0.00055 -0.00573 0.00660 0.04855 16 2 C 1S 0.01293 0.01205 -0.00774 0.00057 0.02483 17 2S -0.06630 -0.00549 -0.06927 0.09004 -0.23059 18 2PX 0.13263 -0.14371 0.25083 -0.02728 -0.02279 19 2PY 0.00021 0.17174 0.24055 -0.04579 -0.23510 20 2PZ 0.00502 -0.02293 0.16221 0.01890 -0.12385 21 3S 0.32108 -0.20306 1.44568 -0.05955 0.78229 22 3PX -0.48962 0.31668 -1.39851 -0.19613 0.30440 23 3PY 0.28810 -0.28310 -1.22312 -0.00036 0.25812 24 3PZ -0.74813 0.38866 -0.48810 -0.32965 0.36067 25 4XX 0.03973 0.01097 -0.01079 0.01116 -0.05055 26 4YY -0.04020 0.00999 -0.00030 -0.00267 0.08246 27 4ZZ 0.01086 -0.00412 0.03243 0.00407 -0.03977 28 4XY 0.00201 0.00945 -0.03199 -0.01349 0.00920 29 4XZ 0.03136 -0.00025 0.00021 0.00556 -0.00510 30 4YZ 0.00530 -0.00708 0.00130 -0.00988 -0.04976 31 3 C 1S -0.01295 0.01211 0.00765 0.00057 -0.02483 32 2S 0.06637 -0.00504 0.06927 0.09011 0.23059 33 2PX -0.13255 -0.14556 -0.24982 -0.02741 0.02277 34 2PY 0.00029 -0.16989 0.24183 0.04600 -0.23533 35 2PZ -0.00493 -0.02399 -0.16198 0.01899 0.12382 36 3S -0.32106 -0.21363 -1.44433 -0.06111 -0.78227 37 3PX 0.48957 0.32700 1.39652 -0.19561 -0.30417 38 3PY 0.28817 0.27428 -1.22537 -0.00102 0.25876 39 3PZ 0.74769 0.39223 0.48526 -0.32999 -0.36015 40 4XX -0.03973 0.01099 0.01071 0.01119 0.05055 41 4YY 0.04020 0.01006 0.00023 -0.00271 -0.08246 42 4ZZ -0.01087 -0.00439 -0.03241 0.00405 0.03978 43 4XY 0.00201 -0.00968 -0.03194 0.01347 0.00921 44 4XZ -0.03136 -0.00029 -0.00021 0.00555 0.00511 45 4YZ 0.00529 0.00709 0.00124 0.00982 -0.04976 46 4 C 1S -0.01249 -0.01450 -0.01499 0.00234 -0.02009 47 2S 0.25388 0.11407 -0.04201 0.05283 0.19904 48 2PX -0.03022 0.02912 0.33327 -0.01724 0.18897 49 2PY 0.35217 -0.15312 -0.43388 0.10238 -0.09686 50 2PZ 0.04053 0.08999 0.27530 -0.19351 0.45530 51 3S -1.50805 -0.57103 1.45279 0.40615 0.16839 52 3PX 0.19904 -0.11794 -1.39328 0.03463 -0.57364 53 3PY -0.79555 0.33735 1.94880 -0.34557 0.59501 54 3PZ 0.26972 -0.12884 -1.49197 0.25134 -1.43825 55 4XX 0.01685 0.01190 -0.01005 -0.03512 0.01870 56 4YY -0.04398 0.00434 0.06329 0.01874 0.03643 57 4ZZ 0.02807 -0.01556 -0.01932 0.01810 -0.00623 58 4XY 0.00168 -0.00063 -0.00843 0.02052 0.01835 59 4XZ 0.02264 -0.01508 -0.00482 -0.01952 -0.03007 60 4YZ -0.00640 0.00049 -0.00572 -0.00657 0.04852 61 5 H 1S 0.00735 -0.08516 0.18010 0.01260 0.32305 62 2S 0.22408 0.32752 -1.42379 -0.27020 -1.28251 63 6 H 1S -0.00724 -0.08629 -0.17946 0.01223 -0.32302 64 2S -0.22441 0.33688 1.42170 -0.26812 1.28250 65 7 C 1S -0.01141 0.01833 -0.01130 -0.00751 0.00193 66 2S 0.20714 -0.10794 0.01835 -0.17937 0.03729 67 2PX 0.03411 0.28162 0.01524 -0.14899 0.06454 68 2PY 0.07572 -0.17912 0.09854 0.06818 -0.29334 69 2PZ -0.43117 0.18474 -0.21037 -0.07095 0.13764 70 3S 0.14294 0.27414 0.02839 0.21941 -0.57154 71 3PX 0.25721 -0.43966 0.07060 0.38523 -0.27791 72 3PY -0.86467 0.36868 -0.06628 -0.12763 0.85354 73 3PZ 1.63477 -0.44739 0.72192 0.25884 -0.42900 74 4XX 0.00629 -0.00593 0.03309 0.03811 -0.01771 75 4YY 0.02540 0.00699 0.00856 -0.02735 -0.03875 76 4ZZ 0.02272 -0.01049 -0.03373 -0.01443 0.03354 77 4XY 0.00161 -0.00511 0.01221 -0.00305 -0.01093 78 4XZ 0.01040 0.01901 -0.00465 -0.00247 0.01684 79 4YZ 0.00334 -0.01467 0.00907 -0.03401 -0.01817 80 8 H 1S -0.01648 0.09707 -0.22862 0.00709 0.23061 81 2S 1.13703 -0.48275 0.52354 0.13307 -0.63608 82 9 C 1S 0.01140 0.01842 0.01118 -0.00750 -0.00192 83 2S -0.20703 -0.10824 -0.01753 -0.17946 -0.03704 84 2PX -0.03434 0.28147 -0.01709 -0.14907 -0.06432 85 2PY 0.07555 0.17987 0.09735 -0.06843 -0.29330 86 2PZ 0.43102 0.18658 0.20917 -0.07099 -0.13763 87 3S -0.14328 0.27390 -0.03038 0.22028 0.57108 88 3PX -0.25683 -0.44033 -0.06782 0.38561 0.27750 89 3PY -0.86427 -0.36977 -0.06379 0.12862 0.85351 90 3PZ -1.63440 -0.45388 -0.71904 0.25900 0.42885 91 4XX -0.00627 -0.00617 -0.03308 0.03811 0.01769 92 4YY -0.02541 0.00691 -0.00860 -0.02731 0.03878 93 4ZZ -0.02270 -0.01027 0.03382 -0.01444 -0.03352 94 4XY 0.00160 0.00520 0.01219 0.00304 -0.01094 95 4XZ -0.01040 0.01903 0.00455 -0.00248 -0.01684 96 4YZ 0.00333 0.01473 0.00896 0.03399 -0.01821 97 10 H 1S 0.01647 0.09867 0.22800 0.00700 -0.23065 98 2S -1.13665 -0.48740 -0.52040 0.13346 0.63615 99 11 H 1S 0.00291 -0.01637 0.15614 0.01230 -0.28003 100 2S 0.03428 0.18247 -0.62805 0.04645 0.68934 101 12 H 1S -0.00291 -0.01758 -0.15598 0.01227 0.27995 102 2S -0.03427 0.18732 0.62647 0.04692 -0.68889 103 13 C 1S 0.00708 -0.00205 0.00894 0.01127 0.00078 104 2S -0.15865 -0.23745 -0.10952 0.18699 0.05341 105 2PX -0.38878 -0.16783 -0.00263 -0.39051 -0.18607 106 2PY 0.22259 0.09896 0.17986 -0.04236 -0.14425 107 2PZ 0.24025 0.31047 -0.15417 0.28329 0.18835 108 3S 0.14403 0.88964 0.87035 -0.75972 -0.07320 109 3PX 1.39284 0.18211 0.25508 0.62112 0.42752 110 3PY -1.09158 -0.44192 -0.92872 0.32870 0.51460 111 3PZ -0.41623 -0.45273 1.15138 -0.36858 -0.85212 112 4XX 0.01278 -0.06167 -0.03267 -0.02715 -0.00382 113 4YY -0.02647 -0.00726 -0.02130 0.00214 0.01360 114 4ZZ -0.00695 0.03969 0.06720 0.05612 -0.00074 115 4XY -0.00449 -0.04182 -0.00429 -0.07055 -0.01464 116 4XZ -0.00591 0.02828 0.04330 -0.02886 -0.00048 117 4YZ 0.00804 0.08287 0.00581 0.03942 -0.00628 118 14 H 1S 0.09491 0.28539 0.15492 0.37631 -0.01495 119 2S -0.65343 -0.85428 0.07592 -0.43604 -0.42646 120 15 H 1S 0.05986 -0.34793 -0.12316 -0.17147 -0.06947 121 2S 0.48216 0.33351 -0.10931 0.85495 0.56160 122 16 C 1S -0.00708 -0.00211 -0.00894 0.01126 -0.00079 123 2S 0.15882 -0.23650 0.11108 0.18704 -0.05350 124 2PX 0.38893 -0.16764 0.00407 -0.39040 0.18630 125 2PY 0.22262 -0.09745 0.18054 0.04237 -0.14433 126 2PZ -0.24048 0.31146 0.15181 0.28312 -0.18847 127 3S -0.14465 0.88322 -0.87609 -0.76042 0.07379 128 3PX -1.39306 0.17950 -0.25668 0.62066 -0.42801 129 3PY -1.09177 0.43453 -0.93177 -0.32871 0.51514 130 3PZ 0.41661 -0.46104 -1.14787 -0.36831 0.85217 131 4XX -0.01275 -0.06146 0.03313 -0.02713 0.00382 132 4YY 0.02648 -0.00710 0.02135 0.00214 -0.01358 133 4ZZ 0.00692 0.03925 -0.06751 0.05609 0.00071 134 4XY -0.00453 0.04180 -0.00463 0.07055 -0.01466 135 4XZ 0.00589 0.02796 -0.04346 -0.02891 0.00051 136 4YZ 0.00810 -0.08281 0.00641 -0.03939 -0.00628 137 17 H 1S -0.09513 0.28422 -0.15719 0.37624 0.01478 138 2S 0.65407 -0.85456 -0.06964 -0.43564 0.42657 139 18 H 1S -0.05962 -0.34716 0.12570 -0.17138 0.06942 140 2S -0.48241 0.33414 0.10643 0.85459 -0.56201 141 19 O 1S 0.00563 -0.00132 0.00255 0.00109 0.00061 142 2S 0.05968 -0.08381 -0.03912 0.04944 -0.06788 143 2PX 0.03273 -0.06135 -0.01990 0.04897 0.04430 144 2PY 0.00383 -0.03363 -0.04172 0.02104 -0.01547 145 2PZ -0.10972 0.02568 0.01469 0.00316 -0.06109 146 3S -0.44843 0.32562 -0.10765 -0.32746 0.21302 147 3PX 0.13628 0.03482 0.13961 0.02737 -0.06192 148 3PY 0.10141 -0.06177 0.04527 0.04670 -0.03203 149 3PZ 0.04467 -0.06600 0.00003 -0.00494 0.05703 150 4XX 0.01360 0.00657 -0.03788 -0.04700 -0.01160 151 4YY 0.01389 -0.03641 -0.01526 0.05671 0.00086 152 4ZZ 0.01921 -0.04025 0.01284 0.02830 -0.03898 153 4XY -0.01596 -0.01930 -0.01322 0.03677 0.01758 154 4XZ -0.00866 0.01957 0.00035 -0.02892 -0.01096 155 4YZ 0.00539 0.02705 -0.01185 -0.00720 0.01496 156 20 O 1S -0.00563 -0.00135 -0.00254 0.00109 -0.00061 157 2S -0.05966 -0.08361 0.03958 0.04951 0.06784 158 2PX -0.03272 -0.06123 0.02028 0.04895 -0.04437 159 2PY 0.00382 0.03335 -0.04191 -0.02108 -0.01545 160 2PZ 0.10961 0.02566 -0.01492 0.00319 0.06113 161 3S 0.44819 0.32678 0.10570 -0.32765 -0.21269 162 3PX -0.13627 0.03369 -0.13987 0.02739 0.06194 163 3PY 0.10127 0.06216 0.04480 -0.04672 -0.03201 164 3PZ -0.04451 -0.06604 0.00045 -0.00495 -0.05707 165 4XX -0.01362 0.00682 0.03784 -0.04697 0.01166 166 4YY -0.01388 -0.03633 0.01545 0.05671 -0.00092 167 4ZZ -0.01919 -0.04037 -0.01262 0.02833 0.03896 168 4XY -0.01598 0.01919 -0.01334 -0.03676 0.01763 169 4XZ 0.00865 0.01957 -0.00049 -0.02892 0.01100 170 4YZ 0.00542 -0.02713 -0.01169 0.00720 0.01495 171 21 C 1S 0.00000 -0.02394 0.00007 0.02832 -0.00001 172 2S -0.00015 0.31761 -0.00101 -0.59421 0.00039 173 2PX -0.00008 0.19452 -0.00059 -0.21513 0.00014 174 2PY -0.00075 -0.00001 -0.00219 0.00000 0.00928 175 2PZ 0.00014 -0.19899 0.00065 -0.11692 0.00005 176 3S 0.00030 -0.61797 0.00200 1.22506 -0.00081 177 3PX 0.00020 -0.53354 0.00165 0.49960 -0.00034 178 3PY -0.00698 -0.00034 -0.09534 0.00000 -0.00536 179 3PZ -0.00023 0.29053 -0.00101 0.49380 -0.00025 180 4XX 0.00003 -0.06535 0.00019 0.07533 -0.00004 181 4YY -0.00002 0.06307 -0.00019 -0.11123 0.00007 182 4ZZ -0.00002 0.01436 -0.00005 -0.00164 0.00001 183 4XY 0.00331 -0.00003 -0.01039 0.00000 0.00182 184 4XZ -0.00003 0.04601 -0.00014 -0.02622 0.00002 185 4YZ -0.00987 0.00002 0.00671 0.00000 -0.00534 186 22 H 1S -0.00011 -0.00207 -0.00002 0.18049 -0.00009 187 2S 0.00016 -0.02379 0.00013 -0.75996 0.00043 188 23 H 1S 0.00019 -0.40994 0.00122 0.47334 -0.00028 189 2S -0.00046 0.92121 -0.00288 -0.78863 0.00053 96 97 98 99 100 V V V V V Eigenvalues -- 0.88230 0.88805 0.89108 0.89725 0.90402 1 1 C 1S -0.02134 0.00682 0.00468 0.00553 -0.00764 2 2S 0.01068 -0.10181 -0.14380 -0.02000 0.32306 3 2PX 0.21910 -0.07794 0.06352 0.00428 0.19876 4 2PY 0.12677 0.24802 -0.09347 0.08498 0.20404 5 2PZ 0.26858 -0.38534 0.18877 -0.05557 0.36305 6 3S 0.25332 -0.06288 1.07365 -0.75983 -0.90232 7 3PX -0.39124 0.32450 -0.35882 -0.05399 -0.50401 8 3PY -0.19449 -1.47864 0.48855 -0.66820 -0.63534 9 3PZ -0.87710 2.04335 -1.23531 0.10205 -0.87998 10 4XX 0.02894 -0.02089 -0.01254 -0.00049 0.02032 11 4YY -0.01103 0.02739 -0.01770 -0.03660 0.00911 12 4ZZ -0.02052 -0.03480 0.04461 0.02684 0.02660 13 4XY -0.03163 0.00484 -0.00540 0.06955 -0.01823 14 4XZ 0.00055 -0.02678 0.00994 0.03461 -0.04270 15 4YZ -0.07043 0.02097 0.00353 0.04746 -0.04594 16 2 C 1S 0.00057 0.01291 0.01887 0.01043 0.01557 17 2S -0.13945 0.06869 -0.36470 -0.13164 -0.01553 18 2PX 0.02535 -0.20296 -0.00447 -0.01524 0.00094 19 2PY -0.21531 0.08408 -0.56246 -0.10789 -0.24442 20 2PZ 0.08246 -0.18600 0.22040 -0.06097 -0.01835 21 3S -0.17993 0.84709 0.34232 0.35972 -0.09778 22 3PX -0.09528 0.71816 -0.49786 0.46948 0.15685 23 3PY 0.76305 -0.45460 1.66275 0.42174 0.79145 24 3PZ -0.45364 1.62356 -1.10958 0.85456 0.22203 25 4XX -0.01887 0.01326 -0.02539 0.01859 -0.00326 26 4YY 0.00711 0.00987 0.06497 0.00381 0.03559 27 4ZZ -0.03115 0.01746 -0.07997 -0.03195 -0.03983 28 4XY 0.02637 -0.00761 0.02749 0.00938 0.00298 29 4XZ -0.02747 0.03114 -0.00581 0.02194 0.03276 30 4YZ 0.01745 -0.05799 0.04529 -0.03365 0.01634 31 3 C 1S 0.00053 -0.01292 -0.01885 0.01045 0.01557 32 2S -0.13900 -0.06863 0.36468 -0.13221 -0.01560 33 2PX 0.02542 0.20300 0.00442 -0.01505 0.00094 34 2PY 0.21461 0.08405 -0.56242 0.10863 0.24442 35 2PZ 0.08237 0.18596 -0.22051 -0.06057 -0.01833 36 3S -0.18072 -0.84698 -0.34171 0.35996 -0.09769 37 3PX -0.09520 -0.71846 0.49855 0.46795 0.15675 38 3PY -0.76107 -0.45436 1.66269 -0.42402 -0.79143 39 3PZ -0.45337 -1.62375 1.11094 0.85189 0.22179 40 4XX -0.01883 -0.01328 0.02544 0.01856 -0.00326 41 4YY 0.00700 -0.00987 -0.06496 0.00388 0.03559 42 4ZZ -0.03106 -0.01742 0.07995 -0.03206 -0.03983 43 4XY -0.02634 -0.00760 0.02750 -0.00942 -0.00298 44 4XZ -0.02747 -0.03114 0.00588 0.02191 0.03275 45 4YZ -0.01744 -0.05800 0.04536 0.03355 -0.01635 46 4 C 1S -0.02136 -0.00681 -0.00465 0.00553 -0.00764 47 2S 0.01096 0.10169 0.14377 -0.02007 0.32307 48 2PX 0.21912 0.07780 -0.06372 0.00438 0.19877 49 2PY -0.12668 0.24818 -0.09343 -0.08469 -0.20398 50 2PZ 0.26865 0.38521 -0.18918 -0.05510 0.36310 51 3S 0.25191 0.06339 -1.07467 -0.75852 -0.90236 52 3PX -0.39109 -0.32409 0.35906 -0.05454 -0.50408 53 3PY 0.19408 -1.47923 0.48925 0.66643 0.63504 54 3PZ -0.87688 -2.04290 1.23629 0.09907 -0.88027 55 4XX 0.02896 0.02089 0.01250 -0.00047 0.02032 56 4YY -0.01101 -0.02738 0.01766 -0.03666 0.00912 57 4ZZ -0.02056 0.03479 -0.04454 0.02692 0.02659 58 4XY 0.03164 0.00487 -0.00553 -0.06953 0.01823 59 4XZ 0.00053 0.02678 -0.00990 0.03464 -0.04270 60 4YZ 0.07046 0.02096 0.00339 -0.04744 0.04593 61 5 H 1S -0.26144 0.04359 -0.03263 0.31310 -0.18758 62 2S 0.82994 -0.58346 0.28820 -0.08090 1.15501 63 6 H 1S -0.26151 -0.04363 0.03336 0.31304 -0.18757 64 2S 0.83009 0.58298 -0.28921 -0.08018 1.15507 65 7 C 1S -0.00489 0.00326 -0.00750 0.00911 -0.00626 66 2S -0.39780 0.14935 -0.03101 -0.21435 0.36031 67 2PX -0.15066 0.05272 -0.00018 0.14324 -0.00956 68 2PY -0.14623 0.11969 0.09801 -0.13292 0.16697 69 2PZ 0.23052 -0.23755 -0.21027 0.18823 -0.25251 70 3S 0.96513 -0.20284 0.52331 0.49928 -0.83101 71 3PX 0.19086 0.11938 0.26722 -0.34801 0.10312 72 3PY 0.39871 -0.54074 -0.67949 0.25439 -0.45266 73 3PZ -0.43005 0.83607 0.78712 -0.44490 0.58987 74 4XX -0.03896 0.01944 0.02127 -0.02176 0.02826 75 4YY -0.01886 0.02141 0.02186 -0.01307 0.01990 76 4ZZ -0.00334 0.00287 -0.02032 0.01895 0.00553 77 4XY -0.02733 0.00251 0.00116 -0.04094 0.04942 78 4XZ -0.00387 0.00816 -0.00974 0.05605 -0.00384 79 4YZ -0.05373 0.00736 0.01587 -0.01930 0.05178 80 8 H 1S 0.14600 -0.06550 -0.15908 0.16378 -0.22154 81 2S -0.76274 0.78386 0.69973 -0.68100 0.92301 82 9 C 1S -0.00488 -0.00326 0.00751 0.00909 -0.00626 83 2S -0.39782 -0.14909 0.03106 -0.21444 0.36025 84 2PX -0.15068 -0.05274 0.00053 0.14322 -0.00957 85 2PY 0.14630 0.11957 0.09802 0.13283 -0.16699 86 2PZ 0.23079 0.23741 0.21030 0.18798 -0.25249 87 3S 0.96470 0.20225 -0.52358 0.50002 -0.83088 88 3PX 0.19061 -0.11930 -0.26785 -0.34777 0.10309 89 3PY -0.39944 -0.54049 -0.67937 -0.25373 0.45266 90 3PZ -0.43110 -0.83572 -0.78726 -0.44399 0.58972 91 4XX -0.03898 -0.01942 -0.02124 -0.02173 0.02826 92 4YY -0.01888 -0.02139 -0.02187 -0.01305 0.01990 93 4ZZ -0.00333 -0.00288 0.02035 0.01891 0.00552 94 4XY 0.02733 0.00248 0.00119 0.04094 -0.04943 95 4XZ -0.00387 -0.00819 0.00983 0.05603 -0.00385 96 4YZ 0.05374 0.00732 0.01585 0.01928 -0.05179 97 10 H 1S 0.14611 0.06534 0.15918 0.16349 -0.22158 98 2S -0.76358 -0.78324 -0.69986 -0.68020 0.92293 99 11 H 1S 0.12010 -0.00807 -0.34308 0.05401 0.27989 100 2S -0.57790 -0.18604 1.46300 -0.38859 -0.70977 101 12 H 1S 0.12058 0.00803 0.34310 0.05359 0.27988 102 2S -0.57977 0.18628 -1.46318 -0.38662 -0.70974 103 13 C 1S 0.00606 0.00292 0.00257 -0.02600 -0.00465 104 2S -0.41338 -0.17273 0.01489 -0.02947 0.19091 105 2PX 0.10073 0.44440 0.05086 0.05775 -0.11017 106 2PY 0.10041 -0.11301 0.07006 -0.01971 -0.00364 107 2PZ 0.13632 -0.23757 -0.33665 -0.04339 0.11745 108 3S 0.72184 0.21436 -0.28274 0.75986 0.05646 109 3PX -0.09389 -1.51558 0.07580 0.08257 0.37010 110 3PY -0.05485 0.90358 -0.73486 -0.30376 -0.07332 111 3PZ -0.25048 0.42208 1.16561 0.19421 -0.21965 112 4XX 0.01080 0.03550 0.01356 -0.03489 -0.01974 113 4YY -0.07127 -0.00135 -0.00106 0.03679 0.03699 114 4ZZ -0.00715 -0.05814 -0.01589 -0.01898 0.02125 115 4XY 0.07031 0.02941 -0.02396 0.00861 0.00997 116 4XZ -0.00611 -0.02387 -0.02675 0.03472 0.04776 117 4YZ 0.00875 0.00300 -0.03643 -0.05579 -0.01271 118 14 H 1S 0.02952 -0.17697 -0.02084 -0.32004 -0.10518 119 2S -0.29110 0.72314 0.69459 0.23269 -0.16424 120 15 H 1S 0.29737 0.27485 0.11292 -0.21163 -0.12948 121 2S -0.47096 -1.08742 -0.31773 -0.02455 0.39416 122 16 C 1S 0.00605 -0.00290 -0.00261 -0.02599 -0.00465 123 2S -0.41337 0.17290 -0.01437 -0.02936 0.19096 124 2PX 0.10057 -0.44443 -0.05111 0.05762 -0.11021 125 2PY -0.10043 -0.11295 0.07027 0.01947 0.00363 126 2PZ 0.13669 0.23743 0.33658 -0.04385 0.11740 127 3S 0.72230 -0.21505 0.28272 0.75942 0.05642 128 3PX -0.09334 1.51553 -0.07516 0.08357 0.37034 129 3PY 0.05461 0.90328 -0.73480 0.30577 0.07346 130 3PZ -0.25136 -0.42191 -1.16513 0.19619 -0.21937 131 4XX 0.01078 -0.03547 -0.01365 -0.03489 -0.01975 132 4YY -0.07128 0.00135 0.00119 0.03679 0.03699 133 4ZZ -0.00711 0.05814 0.01592 -0.01897 0.02126 134 4XY -0.07033 0.02943 -0.02385 -0.00856 -0.00996 135 4XZ -0.00606 0.02384 0.02680 0.03470 0.04777 136 4YZ -0.00878 0.00300 -0.03636 0.05583 0.01271 137 17 H 1S 0.02960 0.17708 0.02053 -0.31999 -0.10517 138 2S -0.29182 -0.72299 -0.69419 0.23349 -0.16416 139 18 H 1S 0.29723 -0.27477 -0.11371 -0.21158 -0.12949 140 2S -0.47047 1.08745 0.31871 -0.02456 0.39423 141 19 O 1S -0.00654 0.00313 0.00205 -0.00257 0.00884 142 2S 0.06954 -0.01690 -0.01130 -0.22847 -0.02621 143 2PX 0.09040 0.06258 0.00434 0.03050 -0.07707 144 2PY 0.07772 -0.04279 -0.00133 -0.20598 -0.15543 145 2PZ -0.05070 -0.08815 -0.01987 -0.10008 0.08485 146 3S -0.08897 -0.10433 -0.19028 0.28784 -0.15919 147 3PX -0.06666 -0.00271 0.08746 -0.16557 0.13362 148 3PY -0.21593 0.11028 0.05449 0.26973 0.34769 149 3PZ 0.04559 0.05052 0.02655 0.06658 -0.12706 150 4XX -0.00984 -0.00645 -0.01091 -0.07683 -0.00314 151 4YY 0.06132 -0.00884 -0.01553 -0.06122 -0.03344 152 4ZZ 0.00614 -0.00324 0.01252 -0.09617 0.00737 153 4XY 0.01304 -0.01410 -0.02006 0.03748 -0.00434 154 4XZ -0.02070 0.00266 -0.01088 -0.01819 0.00748 155 4YZ -0.00498 0.00704 -0.00347 0.03303 -0.01020 156 20 O 1S -0.00655 -0.00312 -0.00205 -0.00257 0.00884 157 2S 0.06959 0.01700 0.01091 -0.22848 -0.02620 158 2PX 0.09035 -0.06262 -0.00438 0.03046 -0.07707 159 2PY -0.07776 -0.04288 -0.00098 0.20597 0.15541 160 2PZ -0.05063 0.08823 0.01977 -0.10004 0.08488 161 3S -0.08877 0.10422 0.19074 0.28759 -0.15917 162 3PX -0.06673 0.00279 -0.08762 -0.16541 0.13360 163 3PY 0.21606 0.11038 0.05389 -0.26976 -0.34766 164 3PZ 0.04553 -0.05056 -0.02649 0.06655 -0.12709 165 4XX -0.00982 0.00650 0.01080 -0.07685 -0.00314 166 4YY 0.06134 0.00886 0.01539 -0.06123 -0.03344 167 4ZZ 0.00614 0.00329 -0.01267 -0.09615 0.00737 168 4XY -0.01306 -0.01407 -0.02011 -0.03745 0.00434 169 4XZ -0.02068 -0.00264 0.01087 -0.01821 0.00748 170 4YZ 0.00498 0.00705 -0.00353 -0.03302 0.01020 171 21 C 1S 0.01455 0.00000 -0.00001 -0.00425 0.01179 172 2S -0.12023 0.00022 -0.00055 -0.79104 -0.10193 173 2PX -0.00926 0.00006 -0.00020 -0.27496 -0.06517 174 2PY 0.00001 0.00342 0.00625 0.00000 0.00000 175 2PZ -0.20259 0.00008 -0.00003 -0.15277 -0.02885 176 3S 0.14899 -0.00056 0.00149 2.08157 0.36119 177 3PX 0.20415 -0.00006 0.00008 0.22272 -0.15388 178 3PY -0.00003 0.00904 -0.06146 0.00005 -0.00001 179 3PZ 0.74330 -0.00019 -0.00023 0.09582 -0.05863 180 4XX 0.05559 -0.00001 -0.00004 -0.02243 -0.01677 181 4YY -0.05507 0.00002 -0.00001 -0.03574 0.01911 182 4ZZ -0.00945 0.00000 0.00001 0.00221 0.02530 183 4XY -0.00001 -0.01254 -0.00059 0.00000 0.00000 184 4XZ 0.00032 0.00000 0.00001 0.01680 -0.01498 185 4YZ -0.00001 -0.00489 -0.00417 0.00000 0.00000 186 22 H 1S 0.02054 -0.00005 0.00017 0.23783 0.18574 187 2S -0.53197 0.00030 -0.00038 -0.80023 -0.16627 188 23 H 1S 0.20598 -0.00008 0.00005 0.16757 0.05321 189 2S -0.04215 0.00015 -0.00048 -0.66472 -0.06497 101 102 103 104 105 V V V V V Eigenvalues -- 0.91950 0.95055 0.96227 0.97337 0.98560 1 1 C 1S -0.00330 -0.00178 0.00183 0.00021 -0.01006 2 2S 0.29413 -0.23107 0.13976 -0.41420 -0.47074 3 2PX -0.03953 -0.13854 -0.05334 0.02777 0.07729 4 2PY 0.10525 -0.12459 -0.19161 -0.22528 0.08750 5 2PZ 0.09017 -0.16172 0.06448 0.03418 -0.06219 6 3S -0.45310 0.64589 -0.56183 1.29657 2.00069 7 3PX 0.12672 0.22396 -0.10735 -0.43728 0.07708 8 3PY 0.06203 0.26446 1.00031 1.98228 -0.70243 9 3PZ -0.00030 0.25028 -0.60276 -1.16838 0.52299 10 4XX 0.02941 -0.00714 0.00573 -0.01884 -0.03156 11 4YY 0.04953 -0.02604 -0.02119 -0.03617 0.00087 12 4ZZ -0.03565 0.00570 0.02246 0.00812 -0.03680 13 4XY -0.03045 -0.01272 0.01630 0.00656 -0.02417 14 4XZ -0.00680 0.00223 0.02804 0.02085 -0.02835 15 4YZ -0.04626 0.02891 0.00580 -0.00983 -0.03073 16 2 C 1S -0.00458 -0.00595 0.00522 -0.00839 -0.01181 17 2S 0.31131 -0.30330 0.01770 0.16815 -0.14232 18 2PX 0.04566 0.04966 -0.03404 -0.02382 0.00371 19 2PY 0.38746 -0.27616 -0.01882 0.18980 -0.04400 20 2PZ -0.07836 -0.00673 0.04948 0.27829 0.21090 21 3S -0.66479 0.84290 -0.48370 -1.70550 0.72806 22 3PX -0.17138 -0.21603 0.16194 -0.24331 -0.21434 23 3PY -0.80617 0.34732 0.13476 -0.27450 0.19066 24 3PZ -0.05383 -0.19694 -0.54713 -2.11725 -0.57366 25 4XX -0.00388 -0.03731 0.01879 0.07710 0.00586 26 4YY -0.02878 0.02238 0.00613 -0.01802 -0.05914 27 4ZZ 0.08431 -0.03672 -0.02270 -0.07327 0.02620 28 4XY -0.01546 0.00403 0.05135 0.04803 -0.02975 29 4XZ -0.01148 -0.02587 0.02627 -0.02440 0.00075 30 4YZ 0.01144 0.00128 -0.01510 -0.02649 0.02533 31 3 C 1S -0.00459 -0.00595 -0.00522 0.00838 0.01181 32 2S 0.31142 -0.30324 -0.01775 -0.16817 0.14244 33 2PX 0.04568 0.04962 0.03403 0.02378 -0.00372 34 2PY -0.38752 0.27613 -0.01882 0.18980 -0.04405 35 2PZ -0.07834 -0.00671 -0.04948 -0.27830 -0.21087 36 3S -0.66523 0.84255 0.48375 1.70542 -0.72840 37 3PX -0.17126 -0.21592 -0.16184 0.24351 0.21430 38 3PY 0.80623 -0.34735 0.13470 -0.27449 0.19077 39 3PZ -0.05388 -0.19706 0.54723 2.11732 0.57342 40 4XX -0.00387 -0.03730 -0.01880 -0.07710 -0.00585 41 4YY -0.02879 0.02238 -0.00612 0.01803 0.05913 42 4ZZ 0.08431 -0.03673 0.02269 0.07326 -0.02618 43 4XY 0.01546 -0.00404 0.05135 0.04802 -0.02976 44 4XZ -0.01147 -0.02587 -0.02627 0.02440 -0.00075 45 4YZ -0.01144 -0.00127 -0.01509 -0.02648 0.02532 46 4 C 1S -0.00330 -0.00178 -0.00183 -0.00021 0.01005 47 2S 0.29415 -0.23104 -0.13974 0.41421 0.47074 48 2PX -0.03950 -0.13859 0.05340 -0.02772 -0.07726 49 2PY -0.10523 0.12464 -0.19164 -0.22529 0.08750 50 2PZ 0.09019 -0.16174 -0.06446 -0.03415 0.06220 51 3S -0.45316 0.64574 0.56166 -1.29663 -2.00048 52 3PX 0.12663 0.22397 0.10719 0.43704 -0.07707 53 3PY -0.06210 -0.26478 1.00048 1.98241 -0.70259 54 3PZ -0.00037 0.25020 0.60268 1.16824 -0.52305 55 4XX 0.02940 -0.00714 -0.00573 0.01883 0.03156 56 4YY 0.04954 -0.02604 0.02119 0.03616 -0.00087 57 4ZZ -0.03565 0.00571 -0.02245 -0.00811 0.03679 58 4XY 0.03045 0.01272 0.01629 0.00655 -0.02416 59 4XZ -0.00680 0.00224 -0.02805 -0.02085 0.02835 60 4YZ 0.04626 -0.02891 0.00579 -0.00983 -0.03071 61 5 H 1S -0.28603 0.09415 0.12566 0.16341 -0.17226 62 2S 0.34977 -0.49399 -0.03137 -0.39397 -0.24619 63 6 H 1S -0.28603 0.09421 -0.12563 -0.16341 0.17222 64 2S 0.34980 -0.49409 0.03145 0.39404 0.24624 65 7 C 1S 0.00372 0.00230 0.00986 0.01329 -0.00075 66 2S 0.12443 0.24923 0.19009 -0.04731 -0.64316 67 2PX 0.09302 0.14995 -0.04026 -0.05845 0.02038 68 2PY 0.03902 0.07757 -0.07901 0.05724 0.05211 69 2PZ 0.04485 -0.06236 0.08628 0.00481 0.26748 70 3S -0.18127 -0.67229 -1.06271 0.19972 2.50864 71 3PX -0.15091 -0.30253 -0.07890 0.63746 0.40892 72 3PY -0.08816 -0.29794 0.66506 -0.29480 -0.62082 73 3PZ -0.02566 0.14332 -0.52810 0.19325 -0.72103 74 4XX 0.02840 0.00517 -0.00122 -0.01167 -0.00747 75 4YY -0.00142 0.00941 -0.00904 0.00977 0.00056 76 4ZZ 0.00309 0.00926 0.01371 0.01907 -0.02255 77 4XY 0.02313 -0.01129 -0.01149 -0.00042 0.00698 78 4XZ 0.02627 0.01699 -0.00276 -0.01190 0.01168 79 4YZ -0.01465 0.07992 -0.00316 -0.00799 -0.01046 80 8 H 1S 0.01098 -0.15509 0.05326 0.17769 0.18508 81 2S 0.05157 0.57668 -0.43597 0.10213 -0.86964 82 9 C 1S 0.00372 0.00230 -0.00986 -0.01329 0.00075 83 2S 0.12442 0.24935 -0.19011 0.04736 0.64314 84 2PX 0.09301 0.14994 0.04026 0.05847 -0.02041 85 2PY -0.03903 -0.07759 -0.07901 0.05721 0.05212 86 2PZ 0.04491 -0.06242 -0.08630 -0.00480 -0.26748 87 3S -0.18112 -0.67270 1.06273 -0.19982 -2.50852 88 3PX -0.15084 -0.30246 0.07890 -0.63748 -0.40885 89 3PY 0.08825 0.29795 0.66508 -0.29470 -0.62088 90 3PZ -0.02575 0.14350 0.52812 -0.19323 0.72105 91 4XX 0.02839 0.00517 0.00121 0.01167 0.00747 92 4YY -0.00142 0.00941 0.00904 -0.00977 -0.00056 93 4ZZ 0.00310 0.00927 -0.01371 -0.01905 0.02255 94 4XY -0.02313 0.01129 -0.01148 -0.00043 0.00697 95 4XZ 0.02627 0.01699 0.00276 0.01190 -0.01168 96 4YZ 0.01466 -0.07992 -0.00317 -0.00799 -0.01044 97 10 H 1S 0.01106 -0.15511 -0.05326 -0.17768 -0.18507 98 2S 0.05147 0.57688 0.43597 -0.10203 0.86957 99 11 H 1S -0.29945 0.18700 -0.04286 0.08070 0.08775 100 2S 0.93920 -0.59457 0.14553 -0.46003 -0.00314 101 12 H 1S -0.29939 0.18706 0.04284 -0.08070 -0.08777 102 2S 0.93902 -0.59463 -0.14558 0.45998 0.00329 103 13 C 1S 0.01140 0.00822 0.02506 -0.00752 0.00997 104 2S -0.21568 -0.39455 -0.70427 0.17437 -0.18454 105 2PX 0.15061 0.30683 0.20016 -0.03992 0.10951 106 2PY 0.00989 0.19616 0.21217 0.01814 0.17250 107 2PZ -0.17917 0.19514 0.25212 -0.08228 0.02684 108 3S 0.19499 0.80511 1.64233 0.02228 0.49369 109 3PX -0.39653 -0.58462 -0.11416 0.74164 -0.05479 110 3PY -0.03932 -0.16850 -0.43283 -0.55915 -0.90856 111 3PZ 0.22535 -0.32010 -0.75638 -0.12937 0.16188 112 4XX 0.03285 0.00019 0.02841 0.10917 -0.03234 113 4YY -0.04092 -0.07180 -0.04729 0.00709 -0.02118 114 4ZZ -0.01776 0.00946 -0.04869 -0.09481 0.03787 115 4XY -0.00979 0.00395 0.01983 0.01477 0.00559 116 4XZ -0.02102 -0.03071 -0.06515 0.03660 0.00146 117 4YZ 0.03207 0.06577 0.00837 -0.02976 0.01080 118 14 H 1S 0.10646 0.38363 0.32178 -0.45451 0.25623 119 2S 0.05700 -0.74669 -1.05345 0.37165 -0.51809 120 15 H 1S 0.15879 0.21090 0.54827 0.14281 0.07326 121 2S -0.47329 -0.66900 -0.93360 -0.00523 -0.35343 122 16 C 1S 0.01139 0.00822 -0.02506 0.00752 -0.00996 123 2S -0.21568 -0.39453 0.70412 -0.17461 0.18467 124 2PX 0.15060 0.30686 -0.20008 0.03998 -0.10955 125 2PY -0.00988 -0.19612 0.21212 0.01810 0.17251 126 2PZ -0.17907 0.19516 -0.25215 0.08232 -0.02691 127 3S 0.19502 0.80504 -1.64196 -0.02173 -0.49409 128 3PX -0.39657 -0.58472 0.11404 -0.74169 0.05485 129 3PY 0.03920 0.16850 -0.43268 -0.55903 -0.90868 130 3PZ 0.22486 -0.32033 0.75647 0.12935 -0.16172 131 4XX 0.03286 0.00022 -0.02844 -0.10918 0.03235 132 4YY -0.04093 -0.07181 0.04727 -0.00713 0.02119 133 4ZZ -0.01776 0.00944 0.04870 0.09482 -0.03786 134 4XY 0.00978 -0.00396 0.01982 0.01477 0.00559 135 4XZ -0.02100 -0.03071 0.06513 -0.03664 -0.00145 136 4YZ -0.03207 -0.06576 0.00838 -0.02976 0.01080 137 17 H 1S 0.10641 0.38351 -0.32175 0.45460 -0.25625 138 2S 0.05683 -0.74661 1.05336 -0.37188 0.51824 139 18 H 1S 0.15877 0.21096 -0.54823 -0.14273 -0.07327 140 2S -0.47321 -0.66918 0.93345 0.00503 0.35357 141 19 O 1S 0.00305 0.00299 -0.00211 0.00136 -0.00233 142 2S -0.08004 -0.08932 0.10175 0.19493 -0.21929 143 2PX -0.11499 -0.02820 -0.02000 0.04358 0.05864 144 2PY -0.15133 -0.10375 0.08882 0.23628 -0.06524 145 2PZ 0.04847 -0.02438 0.11106 -0.14203 -0.32031 146 3S 0.01607 0.16728 -0.02014 -0.54828 0.29818 147 3PX 0.06902 -0.06695 -0.10279 -0.01621 0.03474 148 3PY 0.27597 0.22120 -0.18417 -0.29831 0.15344 149 3PZ -0.05886 0.03343 -0.15993 0.23865 0.59665 150 4XX -0.03935 0.01360 0.04768 0.07275 -0.10712 151 4YY -0.02900 -0.06252 0.02844 0.02157 -0.07283 152 4ZZ -0.02122 -0.03375 0.02371 0.07956 -0.03744 153 4XY 0.02842 -0.00123 0.01336 -0.00088 -0.01077 154 4XZ 0.00959 0.01252 0.00891 -0.01055 -0.01986 155 4YZ 0.01981 0.01952 0.00567 0.00001 -0.00773 156 20 O 1S 0.00305 0.00299 0.00211 -0.00135 0.00233 157 2S -0.08002 -0.08925 -0.10175 -0.19494 0.21930 158 2PX -0.11499 -0.02820 0.02000 -0.04360 -0.05862 159 2PY 0.15132 0.10370 0.08882 0.23632 -0.06526 160 2PZ 0.04845 -0.02436 -0.11106 0.14200 0.32030 161 3S 0.01602 0.16713 0.02014 0.54827 -0.29821 162 3PX 0.06901 -0.06697 0.10279 0.01623 -0.03473 163 3PY -0.27598 -0.22114 -0.18418 -0.29840 0.15349 164 3PZ -0.05883 0.03339 0.15992 -0.23863 -0.59663 165 4XX -0.03934 0.01363 -0.04769 -0.07274 0.10712 166 4YY -0.02899 -0.06251 -0.02844 -0.02158 0.07285 167 4ZZ -0.02122 -0.03373 -0.02371 -0.07956 0.03745 168 4XY -0.02843 0.00123 0.01336 -0.00088 -0.01077 169 4XZ 0.00959 0.01252 -0.00891 0.01055 0.01986 170 4YZ -0.01981 -0.01952 0.00567 0.00000 -0.00773 171 21 C 1S -0.00175 -0.00921 0.00000 0.00000 0.00000 172 2S -0.63066 -0.22683 0.00001 0.00000 0.00004 173 2PX -0.31097 -0.18002 0.00001 -0.00002 0.00002 174 2PY -0.00001 0.00001 -0.05361 -0.07029 0.10993 175 2PZ -0.09733 0.10636 0.00000 -0.00001 -0.00001 176 3S 1.69468 0.75660 -0.00004 0.00005 -0.00011 177 3PX 0.24930 0.10170 -0.00002 -0.00002 0.00000 178 3PY 0.00001 -0.00004 0.19179 0.09737 -0.42765 179 3PZ 0.02724 -0.62163 0.00000 0.00000 0.00006 180 4XX -0.03711 -0.07256 0.00000 -0.00001 0.00001 181 4YY -0.04326 0.02747 0.00000 0.00001 0.00000 182 4ZZ 0.02588 0.02301 0.00000 0.00000 0.00000 183 4XY 0.00000 -0.00001 0.02464 0.05419 -0.03409 184 4XZ -0.00286 0.00549 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 -0.00080 0.03215 0.04366 186 22 H 1S 0.30402 0.15584 -0.00001 0.00002 0.00000 187 2S -0.72436 0.04714 0.00002 -0.00003 -0.00001 188 23 H 1S 0.18778 -0.03771 -0.00001 0.00001 0.00001 189 2S -0.64888 -0.38047 0.00003 0.00000 0.00004 106 107 108 109 110 V V V V V Eigenvalues -- 1.01136 1.05344 1.07611 1.12043 1.12967 1 1 C 1S -0.01224 -0.01782 0.00087 -0.01792 -0.01860 2 2S -0.25297 -0.46998 0.26337 -0.57034 -0.57844 3 2PX -0.10732 -0.18207 0.03424 0.01029 0.01574 4 2PY 0.17234 -0.19598 -0.00229 -0.03415 0.08306 5 2PZ -0.16640 0.01386 -0.00167 0.08444 0.13571 6 3S 0.94568 1.63485 -1.27497 2.13168 1.08212 7 3PX 0.47128 0.43231 0.22180 -0.13325 -0.18665 8 3PY -1.85596 1.08549 -0.14316 0.46764 -0.22612 9 3PZ 1.14225 0.23069 0.57169 -0.77003 -0.74367 10 4XX 0.01240 0.01705 0.00578 0.01739 0.06969 11 4YY 0.01804 -0.01083 0.00342 -0.08733 -0.09301 12 4ZZ -0.06832 -0.06251 -0.00050 0.00413 -0.03698 13 4XY -0.00524 -0.08431 0.00268 0.00971 0.08905 14 4XZ -0.02143 -0.00014 0.01906 -0.01590 0.02442 15 4YZ -0.00002 -0.00550 0.00298 -0.06787 -0.03644 16 2 C 1S -0.00565 -0.00337 -0.01649 0.00761 0.00631 17 2S -0.48261 -0.25513 -0.05852 0.61536 0.39160 18 2PX -0.10996 -0.03871 0.11556 0.14479 0.00060 19 2PY -0.04361 -0.00362 -0.04980 0.02593 0.04858 20 2PZ -0.08679 0.12293 -0.12831 0.13267 0.02115 21 3S 1.94299 0.18257 0.89631 -2.10028 -1.58392 22 3PX 0.27136 -0.33443 0.10004 -0.46125 0.15566 23 3PY 0.15685 -0.67659 -0.28463 0.42017 0.55314 24 3PZ 1.00301 -0.89486 0.71252 -1.01370 -0.01930 25 4XX 0.01339 -0.09736 -0.04947 0.03114 0.08612 26 4YY -0.08135 0.08020 0.01174 0.03443 -0.00405 27 4ZZ 0.02777 -0.01445 0.01839 -0.02000 -0.03872 28 4XY -0.02207 0.03289 0.01679 -0.00427 0.06991 29 4XZ -0.02107 -0.03608 0.00035 0.03608 0.01508 30 4YZ 0.00759 0.04069 -0.00559 -0.01067 -0.01081 31 3 C 1S 0.00565 -0.00338 0.01649 0.00761 0.00631 32 2S 0.48254 -0.25517 0.05850 0.61495 0.39103 33 2PX 0.10997 -0.03871 -0.11557 0.14475 0.00049 34 2PY -0.04356 0.00371 -0.04980 -0.02610 -0.04897 35 2PZ 0.08679 0.12289 0.12835 0.13261 0.02104 36 3S -1.94272 0.18335 -0.89651 -2.09993 -1.58386 37 3PX -0.27144 -0.33431 -0.10012 -0.46090 0.15637 38 3PY 0.15676 0.67647 -0.28455 -0.41993 -0.55210 39 3PZ -1.00303 -0.89428 -0.71275 -1.01363 -0.01899 40 4XX -0.01338 -0.09738 0.04944 0.03119 0.08619 41 4YY 0.08134 0.08018 -0.01171 0.03439 -0.00409 42 4ZZ -0.02778 -0.01443 -0.01840 -0.02005 -0.03878 43 4XY -0.02207 -0.03289 0.01679 0.00424 -0.06996 44 4XZ 0.02107 -0.03606 -0.00036 0.03602 0.01497 45 4YZ 0.00758 -0.04069 -0.00560 0.01070 0.01084 46 4 C 1S 0.01225 -0.01782 -0.00088 -0.01792 -0.01860 47 2S 0.25301 -0.46985 -0.26355 -0.57021 -0.57835 48 2PX 0.10731 -0.18211 -0.03429 0.01032 0.01582 49 2PY 0.17235 0.19593 -0.00224 0.03413 -0.08312 50 2PZ 0.16639 0.01381 0.00167 0.08444 0.13574 51 3S -0.94579 1.63438 1.27555 2.13101 1.08105 52 3PX -0.47113 0.43267 -0.22170 -0.13368 -0.18738 53 3PY -1.85601 -1.08496 -0.14349 -0.46761 0.22609 54 3PZ -1.14218 0.23149 -0.57170 -0.77074 -0.74472 55 4XX -0.01241 0.01703 -0.00578 0.01743 0.06976 56 4YY -0.01804 -0.01081 -0.00343 -0.08733 -0.09302 57 4ZZ 0.06832 -0.06251 0.00048 0.00411 -0.03704 58 4XY -0.00524 0.08431 0.00269 -0.00973 -0.08907 59 4XZ 0.02142 -0.00016 -0.01906 -0.01585 0.02450 60 4YZ -0.00001 0.00550 0.00299 0.06783 0.03637 61 5 H 1S -0.04801 -0.31561 -0.05808 0.01446 0.11975 62 2S -0.16480 -0.57627 0.00086 -0.07596 0.11654 63 6 H 1S 0.04801 -0.31573 0.05800 0.01481 0.12021 64 2S 0.16483 -0.57634 -0.00102 -0.07568 0.11695 65 7 C 1S -0.01205 0.01974 0.00240 -0.01326 0.01071 66 2S -0.49403 0.16893 0.42441 0.10513 0.37561 67 2PX 0.01267 0.02776 -0.16506 -0.02631 -0.09737 68 2PY -0.02551 -0.15421 -0.10220 0.06226 -0.04498 69 2PZ 0.01009 0.22997 0.07960 0.09284 0.07934 70 3S 0.69186 0.09693 -2.26598 -0.04014 -0.17813 71 3PX -0.42232 0.08946 -0.12834 0.24031 0.05778 72 3PY 0.10877 0.35124 1.61259 -0.25678 0.35360 73 3PZ -0.65463 -0.37871 -1.17940 0.03134 -0.13617 74 4XX -0.05501 0.03037 0.06581 -0.09508 0.00092 75 4YY -0.01492 0.03872 -0.01312 0.00414 0.05309 76 4ZZ -0.04770 -0.03892 -0.05619 0.06804 -0.02825 77 4XY -0.00480 0.04592 0.03777 0.06908 0.03422 78 4XZ -0.09753 -0.00821 -0.02848 0.02210 0.02327 79 4YZ 0.02186 -0.01033 0.03331 -0.02454 0.07048 80 8 H 1S -0.13617 0.12890 -0.39388 0.13668 -0.11559 81 2S -0.41735 -0.44692 -0.30531 -0.03876 0.04145 82 9 C 1S 0.01205 0.01974 -0.00239 -0.01326 0.01072 83 2S 0.49402 0.16903 -0.42438 0.10485 0.37510 84 2PX -0.01267 0.02772 0.16507 -0.02620 -0.09714 85 2PY -0.02552 0.15421 -0.10216 -0.06243 0.04473 86 2PZ -0.01009 0.22997 -0.07955 0.09291 0.07944 87 3S -0.69185 0.09651 2.26603 -0.03890 -0.17658 88 3PX 0.42234 0.08943 0.12837 0.23995 0.05674 89 3PY 0.10879 -0.35145 1.61251 0.25764 -0.35252 90 3PZ 0.65466 -0.37895 1.17930 0.03068 -0.13759 91 4XX 0.05502 0.03039 -0.06582 -0.09503 0.00098 92 4YY 0.01492 0.03872 0.01313 0.00415 0.05309 93 4ZZ 0.04770 -0.03894 0.05619 0.06799 -0.02834 94 4XY -0.00481 -0.04593 0.03775 -0.06909 -0.03422 95 4XZ 0.09753 -0.00822 0.02848 0.02209 0.02322 96 4YZ 0.02186 0.01032 0.03332 0.02451 -0.07055 97 10 H 1S 0.13616 0.12878 0.39391 0.13645 -0.11605 98 2S 0.41738 -0.44688 0.30517 -0.03875 0.04131 99 11 H 1S 0.12903 0.35146 -0.02055 -0.06632 -0.18971 100 2S 0.19417 -0.08086 0.07430 0.23499 0.12656 101 12 H 1S -0.12899 0.35151 0.02064 -0.06632 -0.18985 102 2S -0.19428 -0.08073 -0.07431 0.23489 0.12612 103 13 C 1S 0.00787 0.00179 -0.00038 0.00447 -0.00757 104 2S 0.10854 0.30124 0.00415 0.02659 -0.13530 105 2PX -0.05113 -0.13016 -0.00563 -0.11824 -0.08249 106 2PY 0.00834 -0.01761 -0.04177 -0.05593 -0.02276 107 2PZ -0.03553 -0.17460 0.06263 0.13865 0.18874 108 3S -0.60064 -1.23021 0.09739 -0.30765 0.71176 109 3PX 0.08920 -0.17915 -0.07246 0.32610 0.46129 110 3PY -0.06786 0.11225 0.38079 0.27671 -0.07560 111 3PZ 0.25780 0.08651 -0.09188 -0.17436 -0.23289 112 4XX -0.01776 0.03252 -0.00948 0.00138 -0.04855 113 4YY 0.00185 0.04881 0.00452 -0.00922 -0.02342 114 4ZZ 0.03096 -0.04387 0.01450 0.01690 0.05309 115 4XY -0.00476 0.02495 -0.00663 -0.01106 0.03057 116 4XZ 0.00641 0.06070 -0.00503 -0.01925 0.02584 117 4YZ 0.01707 0.09324 -0.00050 -0.03598 -0.06463 118 14 H 1S 0.11746 -0.15192 0.03942 0.04294 -0.02161 119 2S 0.05272 0.45523 -0.05971 -0.12378 -0.38540 120 15 H 1S -0.00979 -0.14387 -0.03361 0.06468 0.01660 121 2S 0.17974 0.22757 0.11811 0.28420 0.22200 122 16 C 1S -0.00787 0.00179 0.00037 0.00449 -0.00752 123 2S -0.10842 0.30128 -0.00413 0.02689 -0.13477 124 2PX 0.05113 -0.13013 0.00559 -0.11839 -0.08269 125 2PY 0.00834 0.01765 -0.04177 0.05594 0.02278 126 2PZ 0.03555 -0.17463 -0.06265 0.13863 0.18877 127 3S 0.60038 -1.23038 -0.09751 -0.30866 0.71015 128 3PX -0.08920 -0.17937 0.07244 0.32692 0.46247 129 3PY -0.06792 -0.11250 0.38082 -0.27683 0.07498 130 3PZ -0.25786 0.08650 0.09184 -0.17429 -0.23294 131 4XX 0.01776 0.03250 0.00949 0.00145 -0.04845 132 4YY -0.00183 0.04880 -0.00451 -0.00920 -0.02339 133 4ZZ -0.03096 -0.04384 -0.01452 0.01686 0.05304 134 4XY -0.00477 -0.02494 -0.00663 0.01106 -0.03053 135 4XZ -0.00640 0.06071 0.00505 -0.01925 0.02583 136 4YZ 0.01707 -0.09326 -0.00053 0.03600 0.06467 137 17 H 1S -0.11746 -0.15197 -0.03947 0.04295 -0.02155 138 2S -0.05269 0.45538 0.05977 -0.12350 -0.38491 139 18 H 1S 0.00979 -0.14392 0.03357 0.06492 0.01702 140 2S -0.17967 0.22758 -0.11806 0.28462 0.22268 141 19 O 1S -0.01097 0.00403 0.00323 0.00411 0.00963 142 2S 0.21430 0.13379 0.26011 -0.02670 0.20319 143 2PX 0.08254 -0.13828 0.24229 0.17343 -0.12444 144 2PY 0.31262 -0.04457 0.12075 -0.28152 0.23654 145 2PZ 0.23541 0.04159 -0.32208 -0.12907 -0.05341 146 3S -0.27879 -0.21642 -0.26778 0.14095 -0.58699 147 3PX -0.35636 0.13218 -0.57842 -0.22585 0.11856 148 3PY -0.54146 -0.01235 -0.34011 0.45845 -0.36234 149 3PZ -0.39166 0.02078 0.40811 0.32234 0.16139 150 4XX 0.10171 0.05195 0.01140 0.00731 0.13828 151 4YY -0.00610 -0.00953 0.06242 0.02037 -0.06397 152 4ZZ 0.09343 0.06530 0.15920 -0.07773 0.11554 153 4XY -0.02736 -0.03284 -0.01446 -0.04614 -0.01557 154 4XZ -0.03502 0.03607 0.11675 0.02195 0.01768 155 4YZ -0.01415 0.00336 -0.02747 0.00965 -0.00052 156 20 O 1S 0.01097 0.00403 -0.00323 0.00410 0.00962 157 2S -0.21428 0.13382 -0.26010 -0.02676 0.20303 158 2PX -0.08258 -0.13823 -0.24232 0.17338 -0.12446 159 2PY 0.31261 0.04455 0.12077 0.28167 -0.23629 160 2PZ -0.23541 0.04151 0.32210 -0.12917 -0.05344 161 3S 0.27873 -0.21642 0.26779 0.14134 -0.58608 162 3PX 0.35643 0.13205 0.57845 -0.22589 0.11829 163 3PY -0.54146 0.01239 -0.34010 -0.45876 0.36194 164 3PZ 0.39164 0.02088 -0.40812 0.32247 0.16134 165 4XX -0.10171 0.05194 -0.01139 0.00726 0.13818 166 4YY 0.00610 -0.00952 -0.06243 0.02035 -0.06400 167 4ZZ -0.09342 0.06533 -0.15919 -0.07774 0.11552 168 4XY -0.02736 0.03284 -0.01445 0.04614 0.01559 169 4XZ 0.03503 0.03609 -0.11674 0.02199 0.01774 170 4YZ -0.01415 -0.00335 -0.02746 -0.00966 0.00051 171 21 C 1S 0.00000 -0.00529 0.00000 0.05230 -0.05103 172 2S -0.00001 -0.08712 0.00000 0.81738 -0.78665 173 2PX 0.00001 -0.22101 -0.00004 -0.16843 -0.10877 174 2PY -0.16923 0.00001 -0.12322 -0.00003 -0.00005 175 2PZ -0.00001 -0.07483 0.00000 0.07342 0.00839 176 3S 0.00001 0.40743 0.00003 -1.40229 1.65145 177 3PX -0.00004 0.15072 0.00005 0.15922 0.25146 178 3PY 0.56974 -0.00004 0.52697 0.00005 -0.00001 179 3PZ 0.00005 0.12852 -0.00002 -0.58044 -0.19211 180 4XX 0.00000 -0.08740 -0.00001 0.02799 -0.20966 181 4YY 0.00000 0.02557 0.00000 0.10915 -0.00392 182 4ZZ 0.00000 0.02365 0.00000 0.02928 0.03401 183 4XY 0.06239 0.00001 -0.05645 0.00003 0.00004 184 4XZ 0.00000 -0.04284 -0.00001 0.07599 -0.09112 185 4YZ -0.02627 -0.00002 0.19716 -0.00002 -0.00002 186 22 H 1S -0.00001 0.09884 0.00001 0.20896 0.00236 187 2S -0.00002 -0.27755 -0.00001 0.53706 -0.38002 188 23 H 1S 0.00000 0.14563 0.00001 0.09501 -0.08858 189 2S 0.00002 -0.23302 -0.00005 0.08060 -0.55434 111 112 113 114 115 V V V V V Eigenvalues -- 1.14032 1.14811 1.19961 1.20299 1.25152 1 1 C 1S 0.00070 0.01034 -0.00801 0.01080 0.00993 2 2S 0.11844 0.38184 -0.00645 0.34134 0.07670 3 2PX 0.04031 0.06506 0.01458 -0.12720 -0.09267 4 2PY 0.04187 0.05384 -0.03217 -0.07577 -0.02302 5 2PZ 0.00636 0.00921 -0.02434 -0.15388 -0.07789 6 3S -0.76734 -1.15503 0.17739 0.04141 -0.64552 7 3PX -0.52599 0.06442 0.13813 0.26885 0.17603 8 3PY -0.21092 -0.16286 0.30430 -0.73495 -0.15641 9 3PZ -0.72474 0.39766 0.20276 0.98786 0.52299 10 4XX 0.04361 -0.01570 -0.00033 -0.03705 -0.03392 11 4YY 0.00492 0.04670 0.01629 0.01112 0.04269 12 4ZZ -0.02907 0.01737 -0.03818 0.06223 0.01582 13 4XY 0.02945 -0.05042 -0.01031 0.01459 0.14149 14 4XZ 0.05651 0.00725 0.07835 -0.00884 0.02793 15 4YZ 0.04873 0.05234 -0.00934 -0.03762 -0.00606 16 2 C 1S 0.00034 -0.03050 0.00082 -0.01807 -0.02269 17 2S -0.48281 -0.55103 0.17850 -0.14721 -0.44882 18 2PX -0.09364 0.03415 0.12400 -0.06295 -0.09820 19 2PY 0.23627 0.11091 0.13132 -0.37726 -0.02460 20 2PZ -0.07284 0.00469 -0.05145 0.04313 0.00610 21 3S 0.30961 2.12467 -0.59174 1.70619 0.84804 22 3PX 0.57864 -0.31746 -0.05919 0.53598 0.73336 23 3PY -0.44757 -0.55850 -0.57944 1.78539 0.18526 24 3PZ 0.24973 -0.07838 0.14802 -0.07540 0.55800 25 4XX 0.05152 -0.02271 -0.10534 0.06232 -0.02825 26 4YY -0.04500 -0.03277 0.08736 -0.13557 -0.00649 27 4ZZ -0.04518 -0.00928 0.01609 0.02800 -0.03850 28 4XY 0.04814 -0.02076 0.06520 -0.00044 -0.01032 29 4XZ -0.07618 -0.04119 -0.01860 0.07253 0.04158 30 4YZ -0.02988 -0.00379 0.00229 -0.06607 -0.02950 31 3 C 1S -0.00036 -0.03050 0.00066 0.01807 -0.02269 32 2S 0.48321 -0.55152 0.17741 0.14852 -0.44890 33 2PX 0.09372 0.03407 0.12350 0.06403 -0.09823 34 2PY 0.23614 -0.11114 -0.12781 -0.37843 0.02479 35 2PZ 0.07297 0.00464 -0.05102 -0.04354 0.00611 36 3S -0.31110 2.12501 -0.57635 -1.71094 0.84871 37 3PX -0.57895 -0.31710 -0.05466 -0.53626 0.73380 38 3PY -0.44840 0.55892 0.56332 1.79077 -0.18647 39 3PZ -0.25036 -0.07822 0.14719 0.07674 0.55778 40 4XX -0.05135 -0.02266 -0.10480 -0.06329 -0.02820 41 4YY 0.04497 -0.03281 0.08616 0.13637 -0.00657 42 4ZZ 0.04507 -0.00932 0.01637 -0.02789 -0.03850 43 4XY 0.04810 0.02072 -0.06518 -0.00104 0.01035 44 4XZ 0.07622 -0.04128 -0.01790 -0.07267 0.04162 45 4YZ -0.02985 0.00382 -0.00171 -0.06608 0.02956 46 4 C 1S -0.00073 0.01034 -0.00791 -0.01087 0.00996 47 2S -0.11925 0.38194 -0.00338 -0.34133 0.07725 48 2PX -0.04020 0.06511 0.01338 0.12724 -0.09264 49 2PY 0.04168 -0.05388 0.03286 -0.07540 0.02307 50 2PZ -0.00607 0.00923 -0.02575 0.15360 -0.07793 51 3S 0.76895 -1.15570 0.17779 -0.03995 -0.64651 52 3PX 0.52561 0.06386 0.14099 -0.26734 0.17553 53 3PY -0.21044 0.16310 -0.29792 -0.73795 0.15661 54 3PZ 0.72342 0.39681 0.21229 -0.98551 0.52274 55 4XX -0.04353 -0.01566 -0.00068 0.03701 -0.03394 56 4YY -0.00507 0.04671 0.01639 -0.01094 0.04268 57 4ZZ 0.02907 0.01735 -0.03760 -0.06255 0.01591 58 4XY 0.02934 0.05039 0.01019 0.01465 -0.14151 59 4XZ -0.05653 0.00731 0.07823 0.00954 0.02795 60 4YZ 0.04877 -0.05239 0.00971 -0.03754 0.00605 61 5 H 1S 0.37003 -0.07088 -0.13069 -0.06652 -0.01883 62 2S 0.32774 0.13657 -0.18514 -0.21740 -0.26617 63 6 H 1S -0.36985 -0.07050 -0.13152 0.06524 -0.01860 64 2S -0.32733 0.13695 -0.18735 0.21543 -0.26587 65 7 C 1S 0.00519 0.01874 0.00863 0.00227 0.01885 66 2S -0.36888 0.18778 0.42584 0.15496 0.48303 67 2PX 0.17541 -0.01024 -0.16563 -0.06107 -0.21601 68 2PY 0.20094 -0.00338 -0.02008 0.12774 0.09726 69 2PZ 0.08634 0.00365 -0.07557 0.13097 -0.01919 70 3S 1.25881 0.01765 -1.11745 0.60036 -0.80942 71 3PX -0.78873 0.43522 -0.21738 0.25339 0.69445 72 3PY -0.93652 0.09684 0.00319 -0.78063 -0.39631 73 3PZ -1.11312 0.10349 -0.26301 -0.28726 0.27134 74 4XX 0.04990 0.04587 0.02233 0.01375 0.10477 75 4YY -0.00068 0.00136 0.08772 0.00926 0.00859 76 4ZZ -0.06033 0.03084 -0.11428 0.01036 -0.03678 77 4XY 0.00077 -0.06569 -0.11782 -0.02286 0.03192 78 4XZ -0.03229 0.00407 0.05365 0.05193 -0.01885 79 4YZ 0.05452 0.11566 -0.00896 0.02840 -0.08205 80 8 H 1S -0.34208 0.03391 -0.17988 -0.03950 0.08912 81 2S -0.10158 0.12926 0.29827 0.13742 0.52845 82 9 C 1S -0.00517 0.01875 0.00865 -0.00218 0.01885 83 2S 0.36947 0.18740 0.42739 -0.15087 0.48296 84 2PX -0.17550 -0.01007 -0.16624 0.05950 -0.21605 85 2PY 0.20094 0.00320 0.01900 0.12787 -0.09731 86 2PZ -0.08613 0.00370 -0.07439 -0.13162 -0.01919 87 3S -1.25868 0.01894 -1.11256 -0.61091 -0.80832 88 3PX 0.78944 0.43458 -0.21488 -0.25509 0.69494 89 3PY -0.93683 -0.09589 0.00345 -0.78038 0.39720 90 3PZ 1.11318 0.10266 -0.26525 0.28493 0.27155 91 4XX -0.04995 0.04591 0.02244 -0.01350 0.10472 92 4YY 0.00072 0.00135 0.08780 -0.00846 0.00860 93 4ZZ 0.06041 0.03080 -0.11417 -0.01141 -0.03673 94 4XY 0.00068 0.06569 0.11802 -0.02182 -0.03189 95 4XZ 0.03233 0.00403 0.05413 -0.05145 -0.01885 96 4YZ 0.05434 -0.11571 0.00872 0.02854 0.08203 97 10 H 1S 0.34213 0.03364 -0.18014 0.03796 0.08920 98 2S 0.10166 0.12923 0.29953 -0.13452 0.52864 99 11 H 1S -0.02326 -0.10231 0.11246 0.54304 -0.11358 100 2S -0.16259 0.03438 0.27490 0.85382 -0.30941 101 12 H 1S 0.02282 -0.10234 0.11733 -0.54196 -0.11320 102 2S 0.16283 0.03421 0.28260 -0.85141 -0.30887 103 13 C 1S 0.03032 0.02182 -0.02578 0.01271 -0.04971 104 2S 0.35278 0.37172 -0.41385 0.14736 -1.01089 105 2PX -0.15339 -0.12451 -0.10022 -0.16901 -0.18911 106 2PY 0.00293 -0.04699 -0.01520 -0.05195 -0.10145 107 2PZ 0.02880 -0.01100 -0.02776 -0.01998 -0.03549 108 3S -1.22130 -1.52732 0.96162 -1.45977 2.07918 109 3PX 0.84604 -0.03258 0.07500 0.71369 0.42255 110 3PY 0.28627 0.37101 -0.31581 -1.11145 -0.20685 111 3PZ -0.19232 -0.30371 -0.09333 -0.40900 0.15219 112 4XX 0.08619 0.00655 0.00546 0.07626 -0.05032 113 4YY 0.01134 0.03133 -0.03834 -0.01749 -0.08256 114 4ZZ -0.04027 0.02227 -0.03340 -0.04599 -0.02755 115 4XY -0.01947 0.07478 0.03725 0.05608 -0.01036 116 4XZ 0.00157 -0.01790 0.08421 -0.00362 -0.03985 117 4YZ -0.01209 0.01890 0.10113 0.04684 -0.05644 118 14 H 1S 0.00740 0.05975 -0.11762 -0.16984 -0.16691 119 2S 0.29405 0.16139 -0.32562 -0.09179 -0.35623 120 15 H 1S 0.29801 0.06880 -0.17901 0.11369 -0.17682 121 2S 0.48430 0.29162 -0.07010 0.24681 -0.14681 122 16 C 1S -0.03030 0.02185 -0.02568 -0.01296 -0.04970 123 2S -0.35252 0.37206 -0.41262 -0.15165 -1.01088 124 2PX 0.15308 -0.12466 -0.10169 0.16805 -0.18922 125 2PY 0.00304 0.04697 0.01567 -0.05178 0.10148 126 2PZ -0.02837 -0.01100 -0.02793 0.01965 -0.03556 127 3S 1.22055 -1.52846 0.94892 1.46938 2.07835 128 3PX -0.84510 -0.03174 0.08126 -0.71307 0.42295 129 3PY 0.28581 -0.37122 0.32589 -1.10836 0.20758 130 3PZ 0.19142 -0.30367 -0.09709 0.40842 0.15199 131 4XX -0.08626 0.00663 0.00610 -0.07625 -0.05027 132 4YY -0.01135 0.03133 -0.03851 0.01711 -0.08257 133 4ZZ 0.04040 0.02224 -0.03376 0.04568 -0.02759 134 4XY -0.01956 -0.07476 -0.03774 0.05572 0.01031 135 4XZ -0.00161 -0.01789 0.08418 0.00434 -0.03985 136 4YZ -0.01194 -0.01890 -0.10155 0.04596 0.05641 137 17 H 1S -0.00732 0.05980 -0.11918 0.16871 -0.16701 138 2S -0.29455 0.16173 -0.32659 0.08875 -0.35630 139 18 H 1S -0.29781 0.06906 -0.17805 -0.11543 -0.17676 140 2S -0.48344 0.29207 -0.06801 -0.24768 -0.14670 141 19 O 1S -0.00891 0.01451 -0.01742 0.00147 -0.00470 142 2S -0.11321 0.20092 -0.30350 0.05871 0.07021 143 2PX -0.03308 0.04159 0.33989 -0.15333 -0.16413 144 2PY -0.19441 0.02513 0.04998 -0.05736 -0.05315 145 2PZ -0.02575 -0.47679 -0.02085 -0.03032 -0.05145 146 3S 0.70597 -0.59173 0.72179 0.03259 0.08780 147 3PX -0.18245 0.04975 -0.88262 0.26979 0.39531 148 3PY 0.34225 0.01281 -0.07969 0.17291 0.05092 149 3PZ -0.03538 0.90226 -0.09685 0.13671 0.15828 150 4XX -0.07103 0.10884 -0.14010 0.02717 -0.05580 151 4YY -0.02409 0.02564 -0.03900 0.02697 0.05009 152 4ZZ -0.02277 0.04183 -0.07891 -0.01905 0.02732 153 4XY -0.01229 -0.05386 0.00787 0.02305 0.00480 154 4XZ 0.04924 0.00473 -0.04112 0.03522 0.03436 155 4YZ 0.01642 0.09884 0.05305 0.03911 0.03913 156 20 O 1S 0.00895 0.01450 -0.01741 -0.00163 -0.00470 157 2S 0.11376 0.20079 -0.30296 -0.06144 0.07029 158 2PX 0.03297 0.04155 0.33849 0.15634 -0.16410 159 2PY -0.19448 -0.02497 -0.04951 -0.05771 0.05315 160 2PZ 0.02514 -0.47682 -0.02111 0.03015 -0.05152 161 3S -0.70746 -0.59110 0.72195 -0.02591 0.08742 162 3PX 0.18276 0.04963 -0.88007 -0.27767 0.39532 163 3PY 0.34227 -0.01311 0.07823 0.17347 -0.05105 164 3PZ 0.03670 0.90225 -0.09561 -0.13758 0.15844 165 4XX 0.07138 0.10878 -0.13984 -0.02849 -0.05573 166 4YY 0.02406 0.02561 -0.03876 -0.02729 0.05011 167 4ZZ 0.02293 0.04180 -0.07908 0.01834 0.02730 168 4XY -0.01218 0.05387 -0.00809 0.02298 -0.00479 169 4XZ -0.04918 0.00476 -0.04081 -0.03556 0.03434 170 4YZ 0.01635 -0.09886 -0.05338 0.03861 -0.03917 171 21 C 1S 0.00000 0.00540 -0.03740 -0.00016 0.03727 172 2S -0.00006 0.08104 -0.59439 -0.00249 0.59554 173 2PX -0.00018 -0.04537 0.08260 0.00037 0.02468 174 2PY 0.08544 -0.00004 -0.00024 0.05380 -0.00001 175 2PZ -0.00001 -0.04809 0.14548 0.00064 -0.07807 176 3S 0.00015 -0.28493 1.68964 0.00722 -1.71785 177 3PX 0.00026 0.17357 0.16498 0.00071 0.00842 178 3PY -0.01207 0.00002 0.00132 -0.28560 -0.00001 179 3PZ -0.00048 -0.44304 -0.52653 -0.00229 0.40241 180 4XX -0.00020 -0.12847 0.07265 0.00036 0.05271 181 4YY 0.00007 0.02212 -0.06309 -0.00029 -0.03783 182 4ZZ 0.00009 0.09974 -0.04302 -0.00019 0.04174 183 4XY -0.06629 0.00002 -0.00007 0.01341 -0.00001 184 4XZ -0.00004 0.03801 0.13928 0.00064 0.00372 185 4YZ 0.02376 0.00000 0.00001 -0.00207 0.00002 186 22 H 1S 0.00020 0.20208 -0.14657 -0.00064 0.08965 187 2S -0.00003 -0.00240 -0.04601 -0.00017 0.07198 188 23 H 1S -0.00001 -0.07459 -0.30367 -0.00132 0.18729 189 2S -0.00026 0.00473 -0.38831 -0.00164 0.39040 116 117 118 119 120 V V V V V Eigenvalues -- 1.28997 1.31433 1.32932 1.39992 1.41503 1 1 C 1S -0.03119 0.02922 0.00909 -0.00351 -0.04953 2 2S -0.67371 0.56107 0.32339 0.03859 -0.90288 3 2PX -0.18856 0.05151 0.03619 -0.05444 0.12236 4 2PY 0.03633 0.05321 -0.07035 -0.06910 -0.02596 5 2PZ -0.04531 -0.00428 -0.09305 0.00734 0.07043 6 3S 1.60072 -2.59981 -0.33652 0.50399 5.14135 7 3PX 1.06439 -0.21000 0.00249 0.16984 -1.04369 8 3PY 0.11360 -0.12632 0.20145 0.53876 -2.77056 9 3PZ 1.10842 0.28852 0.31236 0.09333 -2.23159 10 4XX 0.05958 0.00906 -0.14622 -0.06652 0.11373 11 4YY -0.01024 0.01265 0.05376 -0.02261 0.01069 12 4ZZ -0.11230 0.03845 0.07485 0.10908 -0.15336 13 4XY 0.00792 -0.00973 -0.00624 0.10962 0.02347 14 4XZ -0.04928 0.01282 -0.05170 -0.19414 0.16026 15 4YZ -0.04932 0.04449 -0.02240 -0.00901 -0.02014 16 2 C 1S 0.00268 0.00522 0.01337 0.00486 -0.00688 17 2S 0.03698 -0.26601 0.15228 0.06324 0.12603 18 2PX -0.00623 -0.11120 0.03429 0.01705 0.01390 19 2PY 0.04648 0.05505 -0.02072 0.03425 -0.07725 20 2PZ 0.03073 -0.07825 -0.00739 0.02831 -0.19217 21 3S 0.03265 0.98448 -0.49572 -0.11434 -2.03377 22 3PX -0.15733 0.18319 0.03404 -0.40243 0.52267 23 3PY -0.85788 -0.42958 -0.16368 -0.50456 1.92274 24 3PZ -0.02111 0.94158 0.21981 -0.51239 0.42050 25 4XX 0.02098 -0.00189 -0.06970 0.17011 -0.03992 26 4YY 0.03074 0.01256 0.03480 0.02003 -0.10291 27 4ZZ -0.03155 0.01544 0.02080 -0.18128 0.09067 28 4XY 0.07055 -0.04541 -0.09547 -0.10137 0.21606 29 4XZ -0.01308 -0.04328 0.06415 0.11991 -0.06575 30 4YZ 0.02542 0.02121 -0.02056 -0.05696 0.04069 31 3 C 1S -0.00267 -0.00524 0.01337 0.00485 0.00689 32 2S -0.03678 0.26590 0.15235 0.06327 -0.12595 33 2PX 0.00628 0.11120 0.03433 0.01705 -0.01388 34 2PY 0.04644 0.05509 0.02075 -0.03414 -0.07718 35 2PZ -0.03072 0.07824 -0.00739 0.02817 0.19217 36 3S -0.03311 -0.98404 -0.49633 -0.11568 2.03375 37 3PX 0.15699 -0.18313 0.03396 -0.40211 -0.52316 38 3PY -0.85766 -0.42997 0.16327 0.50271 1.92263 39 3PZ 0.02085 -0.94157 0.21929 -0.51232 -0.42083 40 4XX -0.02098 0.00189 -0.06969 0.17009 0.04001 41 4YY -0.03071 -0.01260 0.03478 0.01994 0.10289 42 4ZZ 0.03155 -0.01541 0.02077 -0.18122 -0.09075 43 4XY 0.07055 -0.04544 0.09542 0.10120 0.21611 44 4XZ 0.01306 0.04325 0.06417 0.11983 0.06579 45 4YZ 0.02541 0.02120 0.02057 0.05694 0.04073 46 4 C 1S 0.03118 -0.02922 0.00907 -0.00355 0.04953 47 2S 0.67363 -0.56122 0.32298 0.03776 0.90296 48 2PX 0.18860 -0.05153 0.03617 -0.05437 -0.12236 49 2PY 0.03634 0.05316 0.07037 0.06913 -0.02595 50 2PZ 0.04535 0.00432 -0.09302 0.00738 -0.07046 51 3S -1.60031 2.59982 -0.33461 0.50872 -5.14113 52 3PX -1.06447 0.20998 0.00240 0.16913 1.04398 53 3PY 0.11333 -0.12605 -0.20117 -0.53639 -2.77054 54 3PZ -1.10866 -0.28870 0.31175 0.09153 2.23165 55 4XX -0.05956 -0.00899 -0.14621 -0.06641 -0.11374 56 4YY 0.01021 -0.01267 0.05376 -0.02262 -0.01071 57 4ZZ 0.11229 -0.03849 0.07482 0.10895 0.15340 58 4XY 0.00798 -0.00973 0.00620 -0.10965 0.02336 59 4XZ 0.04927 -0.01277 -0.05170 -0.19401 -0.16032 60 4YZ -0.04932 0.04448 0.02241 0.00903 -0.02009 61 5 H 1S -0.44736 0.19584 -0.05021 -0.14903 0.38540 62 2S -0.73906 0.30825 -0.06934 -0.15517 0.72766 63 6 H 1S 0.44735 -0.19576 -0.05021 -0.14874 -0.38540 64 2S 0.73916 -0.30818 -0.06933 -0.15465 -0.72768 65 7 C 1S 0.02561 0.00958 -0.00971 -0.00083 0.01111 66 2S 0.35275 -0.21737 -0.22790 -0.05535 0.43049 67 2PX 0.03967 0.04213 0.06776 0.08535 -0.15575 68 2PY 0.01674 0.00715 -0.03190 -0.04340 0.06699 69 2PZ 0.11212 -0.13174 -0.11010 0.07881 0.05170 70 3S -1.89851 0.80509 0.30354 0.12129 -1.17166 71 3PX -0.59232 0.81556 0.07520 -0.22854 0.18343 72 3PY 1.30758 0.56484 0.00440 0.15237 0.37638 73 3PZ -0.68006 1.35600 0.26641 -0.21972 -0.27999 74 4XX 0.12554 0.07908 -0.15445 0.20378 -0.06895 75 4YY -0.01033 -0.00532 0.00758 0.02281 -0.01301 76 4ZZ -0.09127 -0.00623 0.08740 -0.24576 0.08011 77 4XY 0.02489 0.01106 0.24786 0.05567 0.02248 78 4XZ 0.04606 0.02123 -0.11901 -0.01124 0.06149 79 4YZ -0.00475 -0.00069 -0.02431 -0.07456 -0.00725 80 8 H 1S -0.19129 0.11298 0.10670 -0.01371 -0.02720 81 2S -0.28893 0.20164 0.01912 -0.17484 -0.02198 82 9 C 1S -0.02562 -0.00957 -0.00971 -0.00082 -0.01112 83 2S -0.35292 0.21752 -0.22772 -0.05499 -0.43068 84 2PX -0.03960 -0.04220 0.06771 0.08523 0.15590 85 2PY 0.01679 0.00711 0.03189 0.04333 0.06701 86 2PZ -0.11212 0.13179 -0.11002 0.07889 -0.05171 87 3S 1.89869 -0.80524 0.30298 0.12045 1.17203 88 3PX 0.59197 -0.81541 0.07493 -0.22851 -0.18359 89 3PY 1.30741 0.56494 -0.00423 -0.15239 0.37627 90 3PZ 0.67987 -1.35601 0.26576 -0.22019 0.27998 91 4XX -0.12559 -0.07902 -0.15449 0.20371 0.06919 92 4YY 0.01034 0.00531 0.00759 0.02280 0.01300 93 4ZZ 0.09128 0.00621 0.08741 -0.24569 -0.08035 94 4XY 0.02491 0.01114 -0.24787 -0.05568 0.02225 95 4XZ -0.04604 -0.02118 -0.11900 -0.01120 -0.06157 96 4YZ -0.00478 -0.00068 0.02431 0.07457 -0.00707 97 10 H 1S 0.19124 -0.11299 0.10665 -0.01375 0.02719 98 2S 0.28870 -0.20158 0.01901 -0.17488 0.02188 99 11 H 1S -0.23815 -0.03867 0.16167 0.15233 0.25634 100 2S -0.29047 0.01312 0.04417 0.21515 0.48489 101 12 H 1S 0.23823 0.03853 0.16173 0.15261 -0.25625 102 2S 0.29067 -0.01327 0.04423 0.21567 -0.48494 103 13 C 1S 0.00228 -0.01044 -0.02367 0.01802 0.01166 104 2S 0.15656 -0.22386 -0.47504 0.19958 0.13382 105 2PX -0.01324 0.05941 -0.04661 0.11347 0.05494 106 2PY -0.01822 -0.01182 -0.04041 0.04611 0.00472 107 2PZ 0.13754 -0.03569 -0.06036 -0.09409 -0.16673 108 3S 0.07593 0.78842 0.98376 -0.80008 -1.66526 109 3PX 0.33968 -0.60487 0.12065 -0.40264 -1.03503 110 3PY 0.33711 0.56089 -0.15455 0.11278 -0.09448 111 3PZ -0.32148 0.25677 0.20559 0.07665 0.34466 112 4XX 0.05255 -0.05317 0.02878 -0.14507 -0.08983 113 4YY 0.01899 -0.00318 -0.02688 0.03312 0.00991 114 4ZZ -0.04479 0.04357 -0.05750 0.12910 0.07456 115 4XY -0.03371 -0.02313 -0.08177 0.06336 0.02817 116 4XZ -0.02049 0.01883 -0.06611 -0.05449 -0.08539 117 4YZ -0.01573 0.00527 -0.02220 -0.16983 -0.04784 118 14 H 1S -0.02923 0.07103 -0.08837 0.10196 0.19941 119 2S -0.03005 -0.04833 -0.03600 0.18949 0.32918 120 15 H 1S 0.08412 -0.14716 -0.10329 0.09536 -0.10435 121 2S 0.22155 -0.20785 -0.16669 -0.15174 -0.24701 122 16 C 1S -0.00226 0.01044 -0.02368 0.01802 -0.01164 123 2S -0.15613 0.22404 -0.47501 0.19959 -0.13353 124 2PX 0.01331 -0.05942 -0.04664 0.11349 -0.05482 125 2PY -0.01828 -0.01182 0.04039 -0.04613 0.00471 126 2PZ -0.13751 0.03573 -0.06037 -0.09421 0.16670 127 3S -0.07684 -0.78876 0.98355 -0.80115 1.66452 128 3PX -0.33987 0.60494 0.12084 -0.40326 1.03477 129 3PY 0.33709 0.56076 0.15486 -0.11246 -0.09470 130 3PZ 0.32125 -0.25690 0.20552 0.07687 -0.34449 131 4XX -0.05253 0.05320 0.02881 -0.14511 0.08972 132 4YY -0.01896 0.00319 -0.02688 0.03315 -0.00986 133 4ZZ 0.04480 -0.04359 -0.05754 0.12910 -0.07448 134 4XY -0.03372 -0.02313 0.08174 -0.06341 0.02820 135 4XZ 0.02050 -0.01879 -0.06612 -0.05458 0.08538 136 4YZ -0.01577 0.00522 0.02221 0.16987 -0.04775 137 17 H 1S 0.02928 -0.07101 -0.08842 0.10207 -0.19927 138 2S 0.03014 0.04834 -0.03599 0.18968 -0.32899 139 18 H 1S -0.08405 0.14721 -0.10327 0.09527 0.10447 140 2S -0.22147 0.20796 -0.16663 -0.15193 0.24693 141 19 O 1S -0.01586 -0.00317 0.02312 0.00412 -0.00570 142 2S -0.08199 -0.05087 0.16106 0.02984 -0.03196 143 2PX -0.29737 -0.40086 0.13390 0.09173 -0.05707 144 2PY 0.01109 0.20431 0.03473 0.00219 0.00035 145 2PZ 0.07460 -0.22291 -0.06900 -0.01148 -0.00980 146 3S 0.80792 -0.25167 -0.83299 -0.12456 0.28178 147 3PX 0.53965 1.41998 -0.30838 -0.27698 0.10521 148 3PY -0.26417 -0.57007 0.09555 0.04464 -0.07877 149 3PZ -0.05242 0.70404 0.10807 0.09015 0.02566 150 4XX -0.09913 -0.02088 0.20348 -0.15980 0.04809 151 4YY -0.03544 -0.10550 -0.14808 0.01981 -0.02457 152 4ZZ 0.03099 0.08109 0.14091 0.16710 -0.06193 153 4XY 0.07207 0.05410 -0.10629 -0.07788 0.06239 154 4XZ 0.09989 -0.01059 -0.03847 0.05980 0.01876 155 4YZ -0.03434 -0.00582 -0.09222 0.11415 -0.03433 156 20 O 1S 0.01586 0.00317 0.02312 0.00411 0.00570 157 2S 0.08190 0.05086 0.16116 0.02985 0.03200 158 2PX 0.29747 0.40078 0.13405 0.09172 0.05717 159 2PY 0.01103 0.20434 -0.03462 -0.00214 0.00033 160 2PZ -0.07454 0.22290 -0.06891 -0.01145 0.00972 161 3S -0.80783 0.25187 -0.83305 -0.12435 -0.28201 162 3PX -0.53993 -1.41978 -0.30899 -0.27709 -0.10543 163 3PY -0.26409 -0.57009 -0.09585 -0.04474 -0.07878 164 3PZ 0.05225 -0.70397 0.10777 0.09005 -0.02536 165 4XX 0.09913 0.02081 0.20350 -0.15976 -0.04828 166 4YY 0.03539 0.10558 -0.14800 0.01983 0.02456 167 4ZZ -0.03100 -0.08115 0.14090 0.16704 0.06218 168 4XY 0.07207 0.05405 0.10631 0.07783 0.06251 169 4XZ -0.09992 0.01061 -0.03844 0.05983 -0.01870 170 4YZ -0.03431 -0.00586 0.09224 -0.11412 -0.03446 171 21 C 1S -0.00001 0.00001 -0.02262 -0.01887 -0.00001 172 2S -0.00020 0.00020 -0.45089 -0.20947 -0.00005 173 2PX 0.00002 0.00001 -0.11652 -0.01168 -0.00002 174 2PY -0.06303 -0.20290 -0.00005 -0.00002 -0.01399 175 2PZ 0.00002 0.00000 0.00352 0.00146 0.00001 176 3S 0.00055 -0.00051 1.47768 0.84468 0.00024 177 3PX -0.00003 -0.00001 0.16320 -0.00637 0.00009 178 3PY -0.55316 -1.22046 -0.00029 -0.00002 -0.18478 179 3PZ -0.00008 0.00006 -0.36974 -0.17741 -0.00019 180 4XX -0.00001 0.00005 -0.23552 0.00778 -0.00002 181 4YY 0.00000 -0.00003 0.17131 -0.04018 -0.00002 182 4ZZ -0.00001 0.00000 0.03098 0.03387 0.00004 183 4XY 0.03106 0.13708 0.00004 0.00001 0.02983 184 4XZ -0.00001 0.00004 -0.13753 0.10839 0.00005 185 4YZ 0.13784 0.16003 0.00002 -0.00001 0.02511 186 22 H 1S -0.00004 0.00002 -0.00088 -0.07497 -0.00001 187 2S -0.00004 0.00007 -0.13071 -0.10661 0.00000 188 23 H 1S -0.00007 0.00006 -0.15795 -0.12180 -0.00007 189 2S -0.00009 0.00010 -0.42770 -0.09756 -0.00008 121 122 123 124 125 V V V V V Eigenvalues -- 1.44140 1.46298 1.48673 1.53314 1.56386 1 1 C 1S -0.00270 0.00162 0.00073 0.00375 0.00229 2 2S -0.00596 -0.17439 0.16646 -0.13244 -0.11646 3 2PX -0.07802 0.07063 0.03911 -0.04428 -0.05909 4 2PY -0.04397 0.08792 -0.00473 0.07033 0.02250 5 2PZ 0.03102 0.13651 -0.06153 0.19853 0.01872 6 3S 0.38559 -0.40530 -0.87323 -0.51776 -0.51417 7 3PX 0.17664 -0.07217 0.38923 -0.20598 0.36307 8 3PY 0.41624 -0.51481 0.28509 -0.59092 0.27603 9 3PZ 0.14952 -0.20438 0.87035 -0.27009 0.38633 10 4XX -0.14190 -0.03459 0.01587 -0.09007 0.08198 11 4YY 0.01133 0.00717 0.00374 -0.06490 0.00012 12 4ZZ 0.14456 0.02641 -0.04311 0.18477 -0.05808 13 4XY 0.04856 0.24118 -0.02033 -0.40931 -0.02188 14 4XZ -0.18501 -0.06336 0.10525 -0.04767 -0.03191 15 4YZ 0.05614 -0.00901 -0.02364 0.26787 0.01027 16 2 C 1S -0.01078 -0.04231 -0.00029 -0.01461 -0.02191 17 2S -0.09048 -0.48608 0.14066 -0.06226 -0.41639 18 2PX -0.03343 -0.06891 0.13451 -0.03967 -0.07313 19 2PY 0.08530 -0.04514 0.02391 -0.03544 0.06149 20 2PZ 0.06332 0.06743 -0.02453 0.01701 0.04954 21 3S 0.16283 1.73985 0.22136 0.14527 1.50989 22 3PX -0.13893 -0.09194 -0.04234 0.67307 -0.29108 23 3PY -0.35085 0.33615 -0.46226 0.53987 -0.83502 24 3PZ -0.42281 -0.09782 0.35559 0.51686 -0.25122 25 4XX 0.04854 -0.13950 -0.10989 -0.02559 0.00834 26 4YY 0.08146 0.01968 0.02672 -0.00022 0.01448 27 4ZZ -0.14008 0.07052 0.06685 0.01353 0.00631 28 4XY -0.13845 -0.18344 0.12805 -0.03944 -0.08383 29 4XZ 0.10006 0.10619 -0.06125 -0.05445 -0.08711 30 4YZ -0.01122 0.16330 -0.02033 -0.03367 0.07279 31 3 C 1S -0.01078 -0.04231 0.00030 -0.01460 0.02191 32 2S -0.09060 -0.48613 -0.14057 -0.06212 0.41640 33 2PX -0.03342 -0.06893 -0.13451 -0.03966 0.07314 34 2PY -0.08534 0.04511 0.02389 0.03544 0.06147 35 2PZ 0.06343 0.06740 0.02452 0.01698 -0.04955 36 3S 0.16413 1.73962 -0.22173 0.14453 -1.50988 37 3PX -0.13925 -0.09176 0.04240 0.67322 0.29088 38 3PY 0.35190 -0.33623 -0.46219 -0.54006 -0.83473 39 3PZ -0.42316 -0.09754 -0.35546 0.51686 0.25100 40 4XX 0.04857 -0.13951 0.10990 -0.02554 -0.00829 41 4YY 0.08152 0.01969 -0.02671 -0.00021 -0.01449 42 4ZZ -0.14015 0.07052 -0.06686 0.01346 -0.00635 43 4XY 0.13855 0.18343 0.12802 0.03943 -0.08382 44 4XZ 0.10008 0.10623 0.06121 -0.05439 0.08713 45 4YZ 0.01126 -0.16331 -0.02032 0.03371 0.07283 46 4 C 1S -0.00268 0.00162 -0.00073 0.00375 -0.00229 47 2S -0.00550 -0.17450 -0.16646 -0.13245 0.11654 48 2PX -0.07811 0.07066 -0.03912 -0.04426 0.05909 49 2PY 0.04395 -0.08792 -0.00473 -0.07032 0.02255 50 2PZ 0.03098 0.13654 0.06152 0.19855 -0.01878 51 3S 0.38285 -0.40493 0.87327 -0.51749 0.51435 52 3PX 0.17731 -0.07243 -0.38926 -0.20625 -0.36299 53 3PY -0.41780 0.51523 0.28500 0.59090 0.27570 54 3PZ 0.15079 -0.20471 -0.87036 -0.27048 -0.38620 55 4XX -0.14195 -0.03455 -0.01584 -0.09016 -0.08197 56 4YY 0.01131 0.00713 -0.00374 -0.06486 -0.00012 57 4ZZ 0.14464 0.02640 0.04309 0.18482 0.05806 58 4XY -0.04857 -0.24120 -0.02031 0.40928 -0.02198 59 4XZ -0.18509 -0.06335 -0.10522 -0.04768 0.03190 60 4YZ -0.05616 0.00899 -0.02365 -0.26788 0.01035 61 5 H 1S -0.17113 0.07827 -0.16842 0.07800 -0.04448 62 2S -0.16436 0.23266 -0.28853 0.28734 -0.17323 63 6 H 1S -0.17135 0.07837 0.16842 0.07806 0.04443 64 2S -0.16482 0.23283 0.28852 0.28745 0.17310 65 7 C 1S 0.00938 0.01922 0.00277 0.01315 0.01254 66 2S 0.16064 0.27587 0.12744 0.33371 -0.03134 67 2PX -0.10330 -0.06930 -0.01678 -0.10649 0.04724 68 2PY -0.01878 -0.00384 0.04224 0.03985 -0.00254 69 2PZ 0.07022 0.06909 0.05210 0.06974 0.04357 70 3S -0.41383 -0.81505 -1.20653 -0.77864 0.89619 71 3PX 0.04841 -0.02197 -0.33405 0.08000 1.05678 72 3PY -0.07449 -0.27829 0.99061 -0.31460 0.25579 73 3PZ -0.12774 -0.24075 -0.70347 -0.15211 0.30048 74 4XX -0.18108 0.01175 0.06919 0.01369 -0.00240 75 4YY 0.04355 0.05877 -0.01657 0.05111 -0.00539 76 4ZZ 0.12291 -0.08189 -0.08148 -0.09643 0.08974 77 4XY -0.25741 -0.01955 -0.04603 -0.00812 -0.00883 78 4XZ 0.09090 -0.02201 0.01316 0.01934 0.01460 79 4YZ 0.20779 -0.03222 0.03906 -0.04746 0.03630 80 8 H 1S 0.06372 0.13116 -0.18135 0.10250 -0.01974 81 2S -0.01707 0.03506 -0.29922 0.14002 -0.07221 82 9 C 1S 0.00938 0.01923 -0.00278 0.01315 -0.01255 83 2S 0.16048 0.27590 -0.12749 0.33373 0.03125 84 2PX -0.10322 -0.06930 0.01679 -0.10650 -0.04722 85 2PY 0.01881 0.00385 0.04225 -0.03984 -0.00253 86 2PZ 0.07022 0.06907 -0.05210 0.06973 -0.04359 87 3S -0.41345 -0.81522 1.20676 -0.77893 -0.89595 88 3PX 0.04828 -0.02194 0.33406 0.07977 -1.05681 89 3PY 0.07468 0.27826 0.99048 0.31451 0.25571 90 3PZ -0.12777 -0.24063 0.70348 -0.15220 -0.30042 91 4XX -0.18103 0.01175 -0.06918 0.01370 0.00237 92 4YY 0.04354 0.05877 0.01656 0.05111 0.00537 93 4ZZ 0.12287 -0.08188 0.08150 -0.09645 -0.08969 94 4XY 0.25743 0.01954 -0.04598 0.00812 -0.00885 95 4XZ 0.09087 -0.02201 -0.01314 0.01934 -0.01461 96 4YZ -0.20780 0.03223 0.03902 0.04746 0.03629 97 10 H 1S 0.06373 0.13120 0.18130 0.10250 0.01972 98 2S -0.01708 0.03510 0.29917 0.13999 0.07216 99 11 H 1S -0.02389 -0.24029 -0.04476 -0.18986 -0.06557 100 2S 0.15842 -0.32283 -0.17378 -0.22275 -0.12594 101 12 H 1S -0.02401 -0.24030 0.04480 -0.18986 0.06563 102 2S 0.15816 -0.32282 0.17386 -0.22273 0.12606 103 13 C 1S 0.00349 0.03314 0.01575 -0.01336 -0.03623 104 2S -0.11500 0.38841 0.20393 -0.17973 -0.45631 105 2PX -0.07354 -0.02907 -0.01026 0.04531 0.07831 106 2PY -0.04555 0.03212 -0.00597 -0.05142 0.04418 107 2PZ -0.07008 0.03213 0.05656 0.09617 -0.00792 108 3S -0.30088 -1.21823 -0.51940 0.88526 2.30542 109 3PX -0.07075 -0.05366 0.12699 0.23112 -0.02769 110 3PY 0.16015 0.32891 0.15335 -0.14682 0.25768 111 3PZ 0.04720 -0.26533 -0.23764 0.04799 0.35585 112 4XX -0.05404 0.20155 0.01898 -0.00390 -0.06816 113 4YY 0.00678 0.03589 0.01411 0.05405 0.00584 114 4ZZ 0.05488 -0.19893 -0.00878 -0.05598 0.03929 115 4XY 0.08469 -0.17020 -0.01875 -0.15780 -0.02860 116 4XZ -0.03516 0.03489 -0.02767 -0.13539 0.05161 117 4YZ -0.06343 0.19533 -0.03713 -0.05817 -0.03331 118 14 H 1S 0.02548 0.12217 0.02461 -0.05453 -0.07913 119 2S 0.06275 0.09195 -0.00527 -0.14050 -0.19853 120 15 H 1S -0.02737 0.16914 0.10070 -0.00141 -0.13361 121 2S 0.02013 0.16220 0.18067 -0.01091 -0.27951 122 16 C 1S 0.00348 0.03314 -0.01576 -0.01335 0.03624 123 2S -0.11507 0.38847 -0.20400 -0.17955 0.45640 124 2PX -0.07359 -0.02904 0.01026 0.04529 -0.07831 125 2PY 0.04554 -0.03212 -0.00598 0.05144 0.04416 126 2PZ -0.06997 0.03211 -0.05655 0.09617 0.00787 127 3S -0.29996 -1.21851 0.51969 0.88443 -2.30585 128 3PX -0.06999 -0.05395 -0.12695 0.23103 0.02760 129 3PY -0.16011 -0.32904 0.15349 0.14693 0.25757 130 3PZ 0.04692 -0.26523 0.23761 0.04796 -0.35590 131 4XX -0.05396 0.20154 -0.01900 -0.00384 0.06815 132 4YY 0.00678 0.03584 -0.01412 0.05405 -0.00585 133 4ZZ 0.05480 -0.19887 0.00881 -0.05604 -0.03926 134 4XY -0.08469 0.17021 -0.01876 0.15778 -0.02864 135 4XZ -0.03512 0.03492 0.02767 -0.13540 -0.05159 136 4YZ 0.06341 -0.19535 -0.03711 0.05813 -0.03332 137 17 H 1S 0.02536 0.12222 -0.02465 -0.05446 0.07915 138 2S 0.06252 0.09203 0.00521 -0.14043 0.19861 139 18 H 1S -0.02730 0.16911 -0.10072 -0.00138 0.13363 140 2S 0.02034 0.16211 -0.18067 -0.01085 0.27951 141 19 O 1S -0.00035 0.00208 -0.02342 0.00646 0.05017 142 2S 0.02713 0.05444 -0.35126 0.11980 0.92097 143 2PX -0.00341 0.07249 -0.02444 0.02792 -0.09155 144 2PY -0.02773 -0.06620 0.11360 -0.04317 -0.15014 145 2PZ 0.10072 0.06323 -0.09503 0.06281 -0.11094 146 3S -0.09060 -0.14549 1.13358 -0.31140 -2.50872 147 3PX -0.10148 -0.45849 0.01348 -0.28590 0.39504 148 3PY 0.13751 0.28364 -0.45117 0.26321 0.50074 149 3PZ -0.37356 -0.27393 0.29542 -0.23717 0.52219 150 4XX 0.16977 -0.02404 -0.02037 -0.02799 0.35100 151 4YY 0.02391 -0.00745 -0.17639 0.02928 0.34550 152 4ZZ -0.18461 0.07008 -0.08364 0.08706 -0.02106 153 4XY 0.06191 -0.05493 -0.10325 -0.04250 -0.03621 154 4XZ -0.04301 0.02503 -0.15569 0.04488 0.13259 155 4YZ -0.10343 0.01748 0.29794 0.03489 0.18428 156 20 O 1S -0.00034 0.00208 0.02342 0.00645 -0.05017 157 2S 0.02721 0.05444 0.35125 0.11960 -0.92102 158 2PX -0.00336 0.07247 0.02440 0.02791 0.09155 159 2PY 0.02775 0.06619 0.11358 0.04313 -0.15015 160 2PZ 0.10074 0.06324 0.09501 0.06283 0.11092 161 3S -0.09083 -0.14551 -1.13352 -0.31085 2.50886 162 3PX -0.10165 -0.45843 -0.01331 -0.28590 -0.39497 163 3PY -0.13763 -0.28363 -0.45106 -0.26304 0.50082 164 3PZ -0.37361 -0.27398 -0.29536 -0.23726 -0.52213 165 4XX 0.16975 -0.02406 0.02038 -0.02805 -0.35099 166 4YY 0.02396 -0.00746 0.17640 0.02919 -0.34552 167 4ZZ -0.18458 0.07010 0.08361 0.08707 0.02104 168 4XY -0.06187 0.05490 -0.10328 0.04249 -0.03622 169 4XZ -0.04302 0.02505 0.15569 0.04486 -0.13261 170 4YZ 0.10339 -0.01743 0.29793 -0.03486 0.18430 171 21 C 1S -0.01050 -0.02737 0.00001 -0.02244 0.00000 172 2S -0.19016 -0.35419 0.00006 -0.27258 0.00004 173 2PX 0.00546 -0.03563 0.00001 -0.01997 0.00001 174 2PY -0.00002 0.00000 -0.11156 0.00002 0.10501 175 2PZ -0.03036 -0.03289 -0.00001 -0.03930 0.00000 176 3S 0.72220 1.57206 -0.00025 1.25938 -0.00021 177 3PX -0.29693 -0.24150 0.00001 -0.27732 0.00005 178 3PY -0.00011 0.00002 -0.38357 0.00006 0.20249 179 3PZ 0.30796 0.08600 0.00002 0.16467 0.00001 180 4XX 0.03062 -0.01195 0.00001 0.00891 0.00000 181 4YY 0.05456 0.04022 -0.00001 0.01872 0.00000 182 4ZZ -0.08915 -0.02025 0.00000 -0.01474 0.00001 183 4XY 0.00001 0.00002 0.23556 0.00000 0.06825 184 4XZ -0.06495 0.01298 0.00000 0.01880 -0.00001 185 4YZ 0.00002 -0.00005 -0.45729 -0.00003 -0.21558 186 22 H 1S -0.08102 -0.15984 0.00003 -0.15854 0.00002 187 2S -0.17371 -0.25744 0.00003 -0.22678 0.00002 188 23 H 1S 0.02381 -0.11253 0.00003 -0.07448 0.00000 189 2S 0.02664 -0.10811 0.00004 -0.02863 0.00001 126 127 128 129 130 V V V V V Eigenvalues -- 1.58415 1.62900 1.64402 1.67986 1.73242 1 1 C 1S -0.00060 -0.02160 0.02047 0.00958 -0.00548 2 2S 0.04572 -0.48681 0.38907 0.08338 -0.06794 3 2PX 0.03390 0.00537 0.01780 0.04113 0.06332 4 2PY -0.00400 0.02633 -0.00995 -0.02508 -0.09795 5 2PZ -0.00587 0.11273 -0.08267 -0.04929 0.11179 6 3S -0.09975 2.72344 -2.46925 -0.21989 0.02550 7 3PX -0.00488 -0.85718 0.57654 -0.06397 0.08449 8 3PY 0.06230 -1.27736 0.53996 0.09851 0.34375 9 3PZ 0.21750 -1.93372 1.67337 0.14656 0.17735 10 4XX 0.01864 -0.01251 0.10258 0.12540 0.09064 11 4YY 0.03278 -0.00944 0.01716 0.06437 -0.12718 12 4ZZ -0.05552 0.05246 -0.12351 -0.19002 0.04828 13 4XY 0.03337 0.07335 -0.08487 0.01839 0.08621 14 4XZ 0.10098 -0.14831 0.17416 0.11089 0.20216 15 4YZ 0.02206 0.03327 -0.02883 -0.09135 -0.02988 16 2 C 1S -0.05602 -0.00146 -0.03658 0.02154 -0.01405 17 2S -0.71955 0.06018 -0.54508 0.14539 -0.12196 18 2PX -0.06385 -0.06370 -0.03483 0.07047 -0.00260 19 2PY -0.01490 -0.02050 -0.01488 0.02120 0.09572 20 2PZ 0.08755 -0.10291 0.06336 0.00062 -0.03767 21 3S 2.37021 -1.38713 3.02938 -0.58440 0.45407 22 3PX 0.06888 0.14267 0.02323 0.08805 -0.07138 23 3PY 0.03177 1.04095 -0.96474 -0.45658 -0.74281 24 3PZ -0.79589 -0.09228 -0.02296 0.20396 -0.02686 25 4XX 0.09341 0.13611 -0.09541 0.03002 0.01168 26 4YY -0.07405 -0.01156 -0.06447 -0.09220 0.01318 27 4ZZ -0.07267 -0.14084 0.16989 0.09677 -0.03440 28 4XY 0.16163 -0.11949 0.11186 0.02561 -0.08320 29 4XZ -0.06434 0.16399 -0.22863 -0.04361 -0.05364 30 4YZ -0.11107 0.04830 0.01798 0.06231 -0.16042 31 3 C 1S -0.05603 0.00147 0.03658 0.02154 -0.01407 32 2S -0.71956 -0.06005 0.54502 0.14545 -0.12233 33 2PX -0.06384 0.06368 0.03485 0.07050 -0.00255 34 2PY 0.01492 -0.02045 -0.01493 -0.02120 -0.09583 35 2PZ 0.08759 0.10289 -0.06336 0.00063 -0.03756 36 3S 2.37028 1.38678 -3.02914 -0.58440 0.45494 37 3PX 0.06892 -0.14274 -0.02335 0.08797 -0.07113 38 3PY -0.03192 1.04060 -0.96435 0.45674 0.74344 39 3PZ -0.79601 0.09233 0.02293 0.20394 -0.02635 40 4XX 0.09339 -0.13614 0.09542 0.03003 0.01165 41 4YY -0.07408 0.01157 0.06450 -0.09219 0.01317 42 4ZZ -0.07264 0.14085 -0.16993 0.09675 -0.03438 43 4XY -0.16163 -0.11943 0.11186 -0.02563 0.08323 44 4XZ -0.06437 -0.16394 0.22863 -0.04363 -0.05367 45 4YZ 0.11107 0.04829 0.01801 -0.06226 0.16048 46 4 C 1S -0.00059 0.02160 -0.02047 0.00959 -0.00547 47 2S 0.04575 0.48679 -0.38903 0.08353 -0.06786 48 2PX 0.03389 -0.00541 -0.01780 0.04113 0.06329 49 2PY 0.00402 0.02631 -0.00992 0.02508 0.09793 50 2PZ -0.00589 -0.11271 0.08266 -0.04931 0.11181 51 3S -0.09978 -2.72333 2.46923 -0.22052 0.02424 52 3PX -0.00480 0.85730 -0.57649 -0.06385 0.08483 53 3PY -0.06241 -1.27713 0.53966 -0.09891 -0.34381 54 3PZ 0.21766 1.93363 -1.67322 0.14686 0.17827 55 4XX 0.01865 0.01243 -0.10259 0.12538 0.09064 56 4YY 0.03278 0.00944 -0.01717 0.06437 -0.12720 57 4ZZ -0.05553 -0.05239 0.12353 -0.19001 0.04829 58 4XY -0.03336 0.07341 -0.08495 -0.01836 -0.08621 59 4XZ 0.10101 0.14823 -0.17416 0.11090 0.20217 60 4YZ -0.02205 0.03326 -0.02883 0.09134 0.02991 61 5 H 1S -0.06985 0.32725 -0.15577 0.06286 -0.20906 62 2S -0.06468 0.66269 -0.41816 -0.04236 -0.09343 63 6 H 1S -0.06989 -0.32722 0.15570 0.06279 -0.20914 64 2S -0.06476 -0.66265 0.41807 -0.04248 -0.09365 65 7 C 1S 0.04067 0.00842 0.02735 0.00907 0.01831 66 2S 0.52732 0.22181 0.21647 -0.04792 0.22427 67 2PX -0.01807 -0.09470 -0.05088 0.00753 -0.06141 68 2PY 0.07979 0.01177 0.09698 0.05756 -0.08127 69 2PZ 0.01404 0.10762 -0.02666 -0.00415 0.04735 70 3S -2.00462 -0.73801 -0.54088 -0.27133 -0.77347 71 3PX -0.05196 0.04197 0.48873 0.07969 -0.16886 72 3PY -0.95984 0.15241 -0.97576 -0.43172 -0.08418 73 3PZ -0.23856 -0.08470 0.66847 0.34504 -0.28526 74 4XX -0.07811 0.23517 0.16380 0.13940 0.05904 75 4YY 0.00161 0.01018 -0.00344 -0.02874 -0.03149 76 4ZZ 0.10222 -0.25188 -0.09968 -0.07166 0.01782 77 4XY 0.10245 -0.03035 -0.07175 -0.24331 -0.13854 78 4XZ -0.07965 -0.00446 -0.10577 -0.15830 -0.14890 79 4YZ -0.10900 -0.08450 -0.11826 0.13204 0.05642 80 8 H 1S 0.27279 0.11759 0.34731 0.22666 0.09196 81 2S 0.37645 -0.01311 0.64695 0.30362 0.03783 82 9 C 1S 0.04067 -0.00843 -0.02736 0.00906 0.01834 83 2S 0.52729 -0.22192 -0.21654 -0.04796 0.22469 84 2PX -0.01804 0.09470 0.05090 0.00755 -0.06151 85 2PY -0.07980 0.01177 0.09701 -0.05756 0.08123 86 2PZ 0.01403 -0.10763 0.02666 -0.00417 0.04730 87 3S -2.00435 0.73845 0.54114 -0.27130 -0.77488 88 3PX -0.05187 -0.04190 -0.48878 0.07956 -0.16795 89 3PY 0.96005 0.15221 -0.97594 0.43163 0.08382 90 3PZ -0.23851 0.08474 -0.66853 0.34492 -0.28465 91 4XX -0.07816 -0.23518 -0.16382 0.13932 0.05904 92 4YY 0.00161 -0.01018 0.00344 -0.02876 -0.03150 93 4ZZ 0.10228 0.25187 0.09970 -0.07157 0.01786 94 4XY -0.10245 -0.03040 -0.07179 0.24329 0.13852 95 4XZ -0.07964 0.00451 0.10582 -0.15830 -0.14888 96 4YZ 0.10898 -0.08450 -0.11826 -0.13207 -0.05632 97 10 H 1S 0.27278 -0.11766 -0.34736 0.22660 0.09215 98 2S 0.37650 0.01302 -0.64709 0.30355 0.03819 99 11 H 1S -0.29130 0.08848 0.05409 0.24692 0.06009 100 2S -0.27527 0.25813 -0.03600 0.25997 0.32698 101 12 H 1S -0.29127 -0.08852 -0.05404 0.24690 0.06001 102 2S -0.27522 -0.25824 0.03613 0.25991 0.32683 103 13 C 1S 0.02933 -0.01378 -0.03130 -0.01082 0.01260 104 2S 0.34055 -0.17091 -0.39407 -0.13440 0.14369 105 2PX -0.06272 0.00320 0.01373 0.00118 0.05936 106 2PY 0.00887 -0.01629 0.02866 0.06732 -0.04613 107 2PZ -0.01444 -0.08036 0.02475 0.02397 0.07935 108 3S -1.52515 -0.04351 2.13565 0.56067 -0.49383 109 3PX -0.34029 -0.52591 0.51519 0.03095 -0.18353 110 3PY 0.44524 -0.04222 0.31620 -0.34545 0.00112 111 3PZ -0.20566 0.32626 0.07640 0.02759 -0.27852 112 4XX -0.11335 -0.01154 -0.02945 -0.00068 -0.07466 113 4YY 0.00913 -0.01784 0.01855 -0.03728 0.19546 114 4ZZ 0.14076 0.01798 0.00714 0.02366 -0.10996 115 4XY 0.23737 0.01246 -0.01329 -0.14303 -0.13297 116 4XZ 0.04413 -0.03700 0.03746 -0.11663 -0.20804 117 4YZ -0.02301 0.05956 -0.10128 -0.19887 -0.05961 118 14 H 1S 0.14524 0.03898 -0.18407 -0.00291 0.05798 119 2S 0.06364 0.12587 -0.15307 -0.12011 -0.08456 120 15 H 1S 0.06025 -0.18494 -0.02867 -0.06298 0.06060 121 2S 0.16026 -0.21074 -0.03013 -0.07892 0.02390 122 16 C 1S 0.02934 0.01378 0.03130 -0.01082 0.01268 123 2S 0.34067 0.17084 0.39416 -0.13436 0.14474 124 2PX -0.06273 -0.00320 -0.01372 0.00117 0.05951 125 2PY -0.00887 -0.01623 0.02863 -0.06732 0.04617 126 2PZ -0.01443 0.08036 -0.02478 0.02397 0.07936 127 3S -1.52562 0.04373 -2.13604 0.56053 -0.49704 128 3PX -0.34012 0.52601 -0.51527 0.03093 -0.18404 129 3PY -0.44507 -0.04233 0.31619 0.34546 -0.00049 130 3PZ -0.20582 -0.32610 -0.07656 0.02759 -0.27838 131 4XX -0.11334 0.01155 0.02944 -0.00063 -0.07465 132 4YY 0.00914 0.01788 -0.01857 -0.03724 0.19545 133 4ZZ 0.14076 -0.01804 -0.00711 0.02357 -0.10992 134 4XY -0.23739 0.01247 -0.01327 0.14304 0.13288 135 4XZ 0.04412 0.03701 -0.03745 -0.11664 -0.20795 136 4YZ 0.02302 0.05951 -0.10130 0.19886 0.05955 137 17 H 1S 0.14526 -0.03899 0.18408 -0.00289 0.05831 138 2S 0.06360 -0.12582 0.15311 -0.12008 -0.08427 139 18 H 1S 0.06031 0.18493 0.02871 -0.06295 0.06085 140 2S 0.16032 0.21073 0.03013 -0.07890 0.02391 141 19 O 1S 0.00412 0.00368 0.00932 0.04054 -0.04802 142 2S 0.02538 0.00647 0.05013 0.59310 -0.58861 143 2PX 0.15429 -0.00060 0.04808 0.00243 -0.00415 144 2PY -0.13990 0.03828 0.00198 -0.14689 0.00915 145 2PZ 0.16758 0.06124 0.08887 0.04748 0.02384 146 3S -0.07979 -0.02815 -0.35061 -1.93812 2.11781 147 3PX -0.89326 -0.17025 -0.36373 -0.33584 -0.07060 148 3PY 0.64898 0.00998 0.26613 0.87775 -0.54107 149 3PZ -0.67200 -0.07607 -0.31476 -0.34437 -0.17297 150 4XX 0.02990 -0.25981 -0.26314 0.16582 -0.14371 151 4YY -0.05163 0.08038 0.18197 0.18372 -0.29663 152 4ZZ 0.04480 0.18953 0.14445 0.09036 0.02489 153 4XY -0.03608 -0.10596 -0.01067 -0.15155 -0.00933 154 4XZ -0.02908 0.04039 -0.00413 0.08157 -0.23003 155 4YZ -0.07751 0.23892 0.04733 0.04684 -0.02470 156 20 O 1S 0.00412 -0.00369 -0.00933 0.04053 -0.04801 157 2S 0.02547 -0.00653 -0.05023 0.59304 -0.58841 158 2PX 0.15427 0.00057 -0.04807 0.00245 -0.00415 159 2PY 0.13992 0.03824 0.00195 0.14689 -0.00916 160 2PZ 0.16758 -0.06128 -0.08888 0.04746 0.02382 161 3S -0.08006 0.02833 0.35089 -1.93794 2.11714 162 3PX -0.89321 0.17049 0.36380 -0.33586 -0.07054 163 3PY -0.64907 0.01020 0.26628 -0.87770 0.54103 164 3PZ -0.67201 0.07626 0.31485 -0.34436 -0.17286 165 4XX 0.02998 0.25980 0.26313 0.16589 -0.14368 166 4YY -0.05161 -0.08038 -0.18198 0.18366 -0.29653 167 4ZZ 0.04477 -0.18954 -0.14449 0.09029 0.02488 168 4XY 0.03605 -0.10599 -0.01070 0.15152 0.00930 169 4XZ -0.02907 -0.04040 0.00412 0.08153 -0.23001 170 4YZ 0.07756 0.23891 0.04735 -0.04678 0.02467 171 21 C 1S -0.04643 0.00001 0.00000 -0.03928 0.02830 172 2S -0.53516 0.00009 0.00002 -0.51802 0.45834 173 2PX -0.09171 0.00001 0.00001 -0.11897 0.03047 174 2PY -0.00001 0.04565 0.14170 0.00000 -0.00002 175 2PZ -0.04884 0.00001 0.00001 -0.08692 0.00224 176 3S 2.74933 -0.00046 -0.00023 2.87780 -1.93212 177 3PX -0.45494 0.00010 0.00006 -0.75713 0.55810 178 3PY 0.00000 0.21985 0.48696 0.00003 -0.00003 179 3PZ 0.07268 -0.00002 -0.00004 0.25034 0.35595 180 4XX -0.01591 0.00001 0.00001 -0.07970 -0.06673 181 4YY 0.11184 -0.00002 -0.00002 0.20626 -0.07574 182 4ZZ -0.05341 0.00001 0.00000 -0.10377 0.13788 183 4XY 0.00001 -0.02134 -0.16947 -0.00001 -0.00001 184 4XZ -0.07366 0.00001 0.00000 0.02834 -0.16619 185 4YZ -0.00002 -0.10871 0.09293 0.00001 0.00001 186 22 H 1S -0.25236 0.00005 0.00003 -0.26938 0.06814 187 2S -0.34879 0.00006 0.00004 -0.45994 0.09337 188 23 H 1S -0.23823 0.00003 0.00001 -0.08413 0.08233 189 2S -0.20623 0.00002 0.00000 -0.06608 0.19711 131 132 133 134 135 V V V V V Eigenvalues -- 1.74685 1.75980 1.79216 1.85799 1.87090 1 1 C 1S -0.01711 -0.00411 0.00506 0.01770 0.01322 2 2S -0.11573 -0.13933 0.03841 0.01738 0.13367 3 2PX 0.01685 -0.00717 0.06275 0.04296 -0.03973 4 2PY -0.02506 0.09387 -0.10514 0.10321 -0.00100 5 2PZ -0.05636 0.04239 0.09046 0.05777 -0.08588 6 3S 1.47969 0.04851 -0.30026 -1.31318 -0.41078 7 3PX -0.20219 0.11741 0.17581 0.30590 -0.02977 8 3PY 0.12600 -0.01389 0.40572 0.53385 -0.15329 9 3PZ -0.93738 0.13461 0.47315 0.65211 0.07536 10 4XX 0.06259 -0.10235 0.04178 0.07341 0.26307 11 4YY 0.01066 0.14245 -0.04187 -0.13174 -0.03440 12 4ZZ -0.05557 -0.03607 0.03460 0.02414 -0.16868 13 4XY -0.04597 0.02459 0.16099 -0.02947 -0.04684 14 4XZ 0.01721 0.00692 0.18057 0.11440 -0.19666 15 4YZ -0.00315 0.15731 0.05028 0.03163 -0.03458 16 2 C 1S 0.02760 -0.00161 -0.00856 -0.00400 0.00633 17 2S 0.50686 -0.31148 -0.28796 0.12704 0.07785 18 2PX -0.02863 0.12854 -0.01926 0.03717 -0.05608 19 2PY -0.13566 0.10985 0.10719 -0.05722 -0.05504 20 2PZ -0.13701 0.19058 0.03785 -0.05338 0.03731 21 3S -0.90761 0.57722 0.84764 0.51226 -0.12366 22 3PX -0.59705 -0.21059 -0.13611 -0.30375 0.29129 23 3PY 0.60200 -0.49998 -1.03607 -0.60055 -0.09781 24 3PZ -0.75395 -0.27233 0.06187 0.55118 0.11933 25 4XX 0.08686 -0.01752 0.03350 0.31113 0.15401 26 4YY 0.02221 0.01366 0.03359 -0.12843 -0.11023 27 4ZZ -0.06475 0.02215 -0.02835 -0.18708 0.02739 28 4XY 0.10265 0.19849 0.01980 0.11430 -0.17319 29 4XZ -0.03289 0.10315 -0.05329 -0.12170 -0.16796 30 4YZ 0.05015 0.17130 -0.10770 -0.39391 0.14882 31 3 C 1S -0.02758 -0.00160 -0.00857 0.00400 0.00633 32 2S -0.50690 -0.31123 -0.28809 -0.12727 0.07783 33 2PX 0.02875 0.12856 -0.01923 -0.03713 -0.05606 34 2PY -0.13566 -0.10976 -0.10720 -0.05727 0.05501 35 2PZ 0.13712 0.19051 0.03788 0.05341 0.03734 36 3S 0.90746 0.57727 0.84829 -0.51177 -0.12386 37 3PX 0.59688 -0.21115 -0.13620 0.30365 0.29134 38 3PY 0.60192 0.49992 1.03646 -0.60022 0.09779 39 3PZ 0.75381 -0.27274 0.06216 -0.55130 0.11927 40 4XX -0.08690 -0.01739 0.03357 -0.31118 0.15393 41 4YY -0.02220 0.01364 0.03355 0.12842 -0.11019 42 4ZZ 0.06479 0.02207 -0.02839 0.18714 0.02743 43 4XY 0.10246 -0.19861 -0.01988 0.11421 0.17321 44 4XZ 0.03303 0.10311 -0.05334 0.12184 -0.16789 45 4YZ 0.04994 -0.17122 0.10781 -0.39386 -0.14890 46 4 C 1S 0.01711 -0.00411 0.00507 -0.01770 0.01322 47 2S 0.11572 -0.13931 0.03853 -0.01750 0.13368 48 2PX -0.01692 -0.00716 0.06275 -0.04296 -0.03976 49 2PY -0.02518 -0.09388 0.10513 0.10322 0.00102 50 2PZ 0.05628 0.04234 0.09046 -0.05769 -0.08589 51 3S -1.47963 0.04870 -0.30129 1.31329 -0.41062 52 3PX 0.20225 0.11755 0.17605 -0.30588 -0.02977 53 3PY 0.12623 0.01351 -0.40591 0.53365 0.15332 54 3PZ 0.93738 0.13455 0.47375 -0.65204 0.07534 55 4XX -0.06277 -0.10230 0.04182 -0.07353 0.26304 56 4YY -0.01046 0.14242 -0.04192 0.13179 -0.03437 57 4ZZ 0.05552 -0.03609 0.03460 -0.02408 -0.16868 58 4XY -0.04590 -0.02458 -0.16097 -0.02951 0.04682 59 4XZ -0.01735 0.00698 0.18063 -0.11426 -0.19669 60 4YZ -0.00324 -0.15732 -0.05026 0.03159 0.03457 61 5 H 1S 0.04277 -0.12965 -0.27902 -0.15685 0.20253 62 2S 0.15353 -0.03023 -0.18359 -0.22010 0.02943 63 6 H 1S -0.04269 -0.12972 -0.27909 0.15671 0.20254 64 2S -0.15355 -0.03031 -0.18375 0.22004 0.02942 65 7 C 1S -0.03854 0.00796 0.00716 -0.00381 0.01153 66 2S -0.55611 0.11261 0.08813 0.02305 0.31148 67 2PX 0.15491 -0.00025 0.10882 -0.03033 0.05035 68 2PY -0.04912 -0.05801 -0.01462 0.00053 0.03017 69 2PZ 0.05749 0.03553 -0.01146 -0.02130 0.14153 70 3S 1.88145 -0.21876 0.24304 0.10260 -0.43610 71 3PX -1.14386 -0.09492 0.03540 0.33229 -0.02885 72 3PY -0.39730 0.13722 0.37012 0.07275 -0.07383 73 3PZ -0.78107 -0.28052 -0.07524 0.45494 -0.11370 74 4XX -0.01415 -0.04517 -0.14396 0.00170 -0.14892 75 4YY 0.00743 0.00738 0.06342 -0.00628 0.10863 76 4ZZ -0.01672 0.04904 0.06599 -0.00311 -0.00799 77 4XY -0.03404 0.02110 0.21681 0.02321 0.11792 78 4XZ -0.01694 0.00121 0.15221 0.01282 -0.13624 79 4YZ 0.13591 -0.00442 0.00222 -0.03482 0.18351 80 8 H 1S -0.25701 -0.02465 -0.12291 0.04781 0.19736 81 2S -0.50243 -0.15861 -0.11348 0.14894 -0.00221 82 9 C 1S 0.03853 0.00794 0.00717 0.00382 0.01153 83 2S 0.55591 0.11225 0.08816 -0.02303 0.31147 84 2PX -0.15483 -0.00015 0.10880 0.03036 0.05038 85 2PY -0.04911 0.05801 0.01459 0.00054 -0.03019 86 2PZ -0.05750 0.03555 -0.01149 0.02131 0.14153 87 3S -1.88088 -0.21746 0.24307 -0.10262 -0.43619 88 3PX 1.14379 -0.09551 0.03582 -0.33225 -0.02885 89 3PY -0.39750 -0.13683 -0.37003 0.07267 0.07367 90 3PZ 0.78107 -0.28086 -0.07483 -0.45496 -0.11378 91 4XX 0.01415 -0.04518 -0.14394 -0.00172 -0.14893 92 4YY -0.00744 0.00738 0.06341 0.00631 0.10863 93 4ZZ 0.01672 0.04904 0.06599 0.00309 -0.00797 94 4XY -0.03411 -0.02106 -0.21680 0.02317 -0.11787 95 4XZ 0.01700 0.00120 0.15221 -0.01279 -0.13625 96 4YZ 0.13594 0.00434 -0.00218 -0.03486 -0.18351 97 10 H 1S 0.25694 -0.02479 -0.12284 -0.04780 0.19731 98 2S 0.50220 -0.15883 -0.11328 -0.14894 -0.00227 99 11 H 1S 0.07132 0.01542 0.13125 -0.16107 0.12826 100 2S 0.11391 0.14247 0.29897 -0.17096 0.05977 101 12 H 1S -0.07131 0.01547 0.13120 0.16111 0.12827 102 2S -0.11399 0.14246 0.29889 0.17102 0.05975 103 13 C 1S -0.11687 0.00452 0.00950 0.01411 -0.01522 104 2S -1.49979 0.23661 0.15289 -0.09639 -0.08476 105 2PX -0.18788 -0.05685 0.02576 0.01529 -0.03131 106 2PY 0.04738 0.24754 0.02931 -0.01915 0.01985 107 2PZ -0.03914 -0.05327 0.02556 -0.13113 0.00294 108 3S 4.81161 -0.54765 -0.55319 0.18642 0.43895 109 3PX 0.56797 -0.09783 -0.19394 -0.70979 -0.01556 110 3PY 0.93635 -0.26734 -0.12936 0.18646 -0.18126 111 3PZ 0.05082 -0.07259 -0.26707 1.21685 0.09509 112 4XX 0.06488 0.10226 -0.01116 0.15452 0.13313 113 4YY 0.02941 -0.29920 0.10365 -0.04353 -0.12685 114 4ZZ -0.14951 0.17284 -0.09484 -0.09059 0.02247 115 4XY -0.12611 -0.23911 -0.20374 -0.07307 0.09513 116 4XZ -0.12828 0.01824 -0.20964 0.25917 -0.14066 117 4YZ -0.01830 -0.27382 -0.09731 0.24763 -0.00525 118 14 H 1S -0.40397 0.03251 0.01256 0.32235 -0.07173 119 2S -0.36239 0.01726 -0.01080 0.39736 -0.00901 120 15 H 1S -0.40034 0.02267 0.03413 -0.16970 -0.21897 121 2S -0.15296 0.02439 0.01217 -0.34449 -0.01583 122 16 C 1S 0.11687 0.00445 0.00952 -0.01410 -0.01521 123 2S 1.49980 0.23566 0.15312 0.09652 -0.08458 124 2PX 0.18781 -0.05694 0.02583 -0.01529 -0.03130 125 2PY 0.04719 -0.24758 -0.02929 -0.01918 -0.01984 126 2PZ 0.03904 -0.05330 0.02554 0.13114 0.00299 127 3S -4.81150 -0.54441 -0.55377 -0.18685 0.43842 128 3PX -0.56788 -0.09763 -0.19431 0.70974 -0.01554 129 3PY 0.93654 0.26674 0.12939 0.18634 0.18140 130 3PZ -0.05081 -0.07224 -0.26667 -1.21692 0.09478 131 4XX -0.06481 0.10237 -0.01108 -0.15451 0.13313 132 4YY -0.02976 -0.29912 0.10366 0.04362 -0.12685 133 4ZZ 0.14977 0.17263 -0.09492 0.09048 0.02247 134 4XY -0.12605 0.23924 0.20374 -0.07297 -0.09516 135 4XZ 0.12845 0.01816 -0.20958 -0.25926 -0.14070 136 4YZ -0.01818 0.27385 0.09722 0.24782 0.00528 137 17 H 1S 0.40392 0.03233 0.01271 -0.32227 -0.07177 138 2S 0.36245 0.01714 -0.01058 -0.39735 -0.00907 139 18 H 1S 0.40030 0.02237 0.03412 0.16975 -0.21892 140 2S 0.15293 0.02418 0.01203 0.34448 -0.01575 141 19 O 1S -0.01115 -0.02495 0.02558 0.00807 -0.00433 142 2S -0.20869 -0.36549 0.30785 0.10251 -0.00555 143 2PX 0.00673 0.02729 0.04499 0.00523 0.02905 144 2PY -0.02173 0.02703 0.05006 0.00545 -0.03787 145 2PZ 0.01761 -0.01431 -0.04656 -0.00650 -0.04518 146 3S 0.73798 1.22289 -1.16948 -0.46641 0.14085 147 3PX -0.06990 -0.01702 0.01337 0.09012 -0.00338 148 3PY -0.01178 -0.38235 0.16723 0.03768 -0.01388 149 3PZ -0.10647 0.05588 0.26231 0.08070 0.13621 150 4XX -0.02139 -0.07615 0.07606 0.00470 -0.12403 151 4YY -0.09758 -0.13759 0.23713 0.04823 -0.00360 152 4ZZ -0.01856 -0.03022 -0.11709 0.01201 0.13911 153 4XY -0.04181 0.04065 0.16065 -0.00212 0.08485 154 4XZ -0.01871 -0.11768 0.15187 0.01499 -0.07320 155 4YZ -0.04697 -0.02178 -0.05537 0.01832 -0.08312 156 20 O 1S 0.01116 -0.02495 0.02559 -0.00807 -0.00433 157 2S 0.20882 -0.36560 0.30799 -0.10250 -0.00553 158 2PX -0.00672 0.02731 0.04499 -0.00522 0.02902 159 2PY -0.02174 -0.02702 -0.05007 0.00543 0.03783 160 2PZ -0.01762 -0.01430 -0.04657 0.00650 -0.04520 161 3S -0.73853 1.22321 -1.17003 0.46634 0.14079 162 3PX 0.06998 -0.01709 0.01341 -0.09007 -0.00334 163 3PY -0.01186 0.38232 -0.16731 0.03771 0.01393 164 3PZ 0.10656 0.05583 0.26236 -0.08064 0.13626 165 4XX 0.02142 -0.07617 0.07606 -0.00468 -0.12404 166 4YY 0.09768 -0.13761 0.23722 -0.04821 -0.00352 167 4ZZ 0.01853 -0.03024 -0.11709 -0.01205 0.13907 168 4XY -0.04182 -0.04063 -0.16067 -0.00215 -0.08488 169 4XZ 0.01878 -0.11771 0.15187 -0.01497 -0.07322 170 4YZ -0.04699 0.02183 0.05535 0.01833 0.08312 171 21 C 1S 0.00000 0.01563 -0.03390 0.00000 -0.01131 172 2S -0.00005 0.25381 -0.49511 -0.00002 -0.05523 173 2PX 0.00000 0.02391 0.06423 0.00001 0.05197 174 2PY -0.04438 0.00001 -0.00002 0.01417 0.00001 175 2PZ 0.00001 0.03629 0.02640 0.00000 -0.00651 176 3S 0.00020 -1.19882 1.45516 0.00000 0.12111 177 3PX -0.00007 0.39456 -0.40021 -0.00001 0.05696 178 3PY -0.05365 -0.00001 -0.00004 0.01806 -0.00001 179 3PZ -0.00009 -0.03134 -0.66725 -0.00005 -0.36300 180 4XX 0.00001 0.01837 0.27104 0.00003 0.31723 181 4YY 0.00000 -0.10150 -0.13626 -0.00002 -0.36026 182 4ZZ -0.00002 0.06965 -0.12644 -0.00001 0.06405 183 4XY -0.02588 0.00002 0.00001 0.00477 0.00002 184 4XZ 0.00005 -0.03442 0.14771 0.00002 -0.01325 185 4YZ 0.01357 0.00000 0.00000 -0.03401 0.00000 186 22 H 1S 0.00000 0.08491 0.03391 0.00002 0.02095 187 2S 0.00001 0.15238 0.08413 0.00002 0.12537 188 23 H 1S 0.00000 0.03157 -0.22485 -0.00001 -0.27372 189 2S -0.00004 0.02040 -0.23165 -0.00001 -0.05995 136 137 138 139 140 V V V V V Eigenvalues -- 1.89381 1.89864 1.94417 1.96129 1.96313 1 1 C 1S -0.00165 -0.00993 0.00565 -0.00069 -0.00325 2 2S 0.05089 -0.28345 -0.13733 -0.03650 -0.01378 3 2PX -0.01320 -0.01652 -0.02077 -0.00798 0.03714 4 2PY 0.06271 0.08973 0.09758 0.19494 0.05798 5 2PZ -0.03494 0.03363 -0.00280 -0.02769 0.00987 6 3S -0.19928 0.52794 0.04015 0.05962 0.21602 7 3PX 0.09112 -0.09349 0.01442 0.20094 -0.02448 8 3PY -0.13249 -0.10911 -0.09055 -0.47225 -0.01696 9 3PZ 0.14807 -0.28809 0.10552 0.43194 -0.00069 10 4XX -0.04511 -0.21394 0.06220 -0.09618 -0.03128 11 4YY 0.00513 0.18714 0.21741 -0.04621 0.08743 12 4ZZ 0.05695 -0.05043 -0.26793 0.16838 -0.06741 13 4XY 0.04525 -0.09929 -0.00861 0.04587 0.10088 14 4XZ -0.04303 0.11132 -0.00054 0.01515 0.01828 15 4YZ 0.05739 -0.08706 0.07438 0.17579 0.18037 16 2 C 1S -0.00689 0.00068 -0.00366 -0.03407 0.00093 17 2S -0.12264 -0.05065 -0.03572 -0.51777 0.26501 18 2PX 0.02199 0.00843 -0.01680 -0.02760 -0.01688 19 2PY 0.07395 -0.02278 -0.07923 0.13174 -0.09197 20 2PZ -0.01191 -0.03460 0.09698 0.04053 0.05927 21 3S 0.37297 -0.19403 0.29498 1.65365 -0.42238 22 3PX -0.07927 -0.02842 0.11702 0.03644 0.05240 23 3PY -0.10689 0.38710 -0.24235 0.20709 0.16750 24 3PZ 0.15747 -0.23006 -0.29330 -0.07677 -0.09684 25 4XX 0.01887 -0.15283 0.04386 -0.08340 -0.01384 26 4YY 0.14063 -0.01446 -0.08337 0.40738 0.04877 27 4ZZ -0.14447 0.12012 0.10785 -0.26808 -0.00791 28 4XY 0.05832 0.00328 -0.18593 0.09336 -0.06536 29 4XZ 0.02683 0.17928 -0.06287 -0.07082 -0.10282 30 4YZ 0.01865 0.02816 0.23079 -0.09982 0.08668 31 3 C 1S 0.00688 0.00069 -0.00368 0.03407 0.00103 32 2S 0.12267 -0.05054 -0.03604 0.51699 0.26649 33 2PX -0.02199 0.00839 -0.01679 0.02766 -0.01680 34 2PY 0.07391 0.02288 0.07915 0.13151 0.09234 35 2PZ 0.01198 -0.03461 0.09703 -0.04064 0.05917 36 3S -0.37267 -0.19421 0.29587 -1.65238 -0.42718 37 3PX 0.07930 -0.02833 0.11699 -0.03666 0.05231 38 3PY -0.10630 -0.38727 0.24224 0.20773 -0.16693 39 3PZ -0.15722 -0.23016 -0.29336 0.07685 -0.09664 40 4XX -0.01865 -0.15274 0.04381 0.08350 -0.01362 41 4YY -0.14062 -0.01462 -0.08319 -0.40758 0.04760 42 4ZZ 0.14431 0.12018 0.10773 0.26815 -0.00713 43 4XY 0.05834 -0.00323 0.18583 0.09325 0.06559 44 4XZ -0.02704 0.17920 -0.06284 0.07116 -0.10258 45 4YZ 0.01869 -0.02803 -0.23076 -0.09965 -0.08700 46 4 C 1S 0.00166 -0.00992 0.00565 0.00070 -0.00325 47 2S -0.05054 -0.28354 -0.13729 0.03643 -0.01362 48 2PX 0.01321 -0.01648 -0.02077 0.00784 0.03716 49 2PY 0.06283 -0.08971 -0.09766 0.19503 -0.05740 50 2PZ 0.03490 0.03368 -0.00283 0.02765 0.00994 51 3S 0.19862 0.52817 0.04005 -0.06012 0.21576 52 3PX -0.09098 -0.09362 0.01453 -0.20081 -0.02508 53 3PY -0.13267 0.10903 0.09077 -0.47230 0.01556 54 3PZ -0.14766 -0.28828 0.10582 -0.43187 -0.00192 55 4XX 0.04540 -0.21388 0.06215 0.09625 -0.03100 56 4YY -0.00535 0.18712 0.21740 0.04615 0.08755 57 4ZZ -0.05692 -0.05049 -0.26786 -0.16836 -0.06788 58 4XY 0.04513 0.09931 0.00854 0.04619 -0.10077 59 4XZ 0.04289 0.11136 -0.00054 -0.01522 0.01824 60 4YZ 0.05727 0.08710 -0.07445 0.17626 -0.17986 61 5 H 1S -0.04354 0.07891 0.02862 -0.20773 -0.13322 62 2S 0.01303 0.02463 -0.03723 -0.00013 0.01459 63 6 H 1S 0.04343 0.07895 0.02853 0.20813 -0.13261 64 2S -0.01308 0.02465 -0.03725 0.00005 0.01459 65 7 C 1S -0.00195 0.00905 -0.00042 0.01891 -0.00034 66 2S -0.06785 -0.02315 0.08866 0.27965 0.05769 67 2PX 0.02190 0.09244 -0.06293 -0.10896 -0.04415 68 2PY 0.21514 -0.01375 0.01760 0.00071 -0.14001 69 2PZ -0.00036 0.11522 -0.06969 0.02108 0.00738 70 3S -0.34041 0.08623 -0.25447 -0.78348 0.00214 71 3PX 0.11921 -0.01324 -0.01133 0.28536 0.02476 72 3PY 0.57923 0.03090 0.00649 -0.25654 0.18601 73 3PZ -0.38890 0.08120 -0.28921 -0.08729 0.06522 74 4XX -0.01530 0.02770 -0.10354 -0.01012 0.03498 75 4YY -0.05896 0.03357 0.07671 -0.02757 -0.23777 76 4ZZ 0.08205 -0.03753 -0.01134 -0.00571 0.24217 77 4XY -0.24187 0.14012 -0.06240 0.11326 0.13590 78 4XZ 0.11530 -0.08096 0.17372 0.03553 0.04657 79 4YZ -0.10734 0.32051 -0.29397 -0.03489 0.11936 80 8 H 1S -0.30652 0.28853 -0.29198 0.17509 0.05317 81 2S -0.18561 -0.11179 0.03172 0.08590 -0.04335 82 9 C 1S 0.00194 0.00905 -0.00041 -0.01891 -0.00039 83 2S 0.06798 -0.02292 0.08882 -0.27979 0.05690 84 2PX -0.02200 0.09238 -0.06300 0.10907 -0.04382 85 2PY 0.21513 0.01401 -0.01759 0.00030 0.14003 86 2PZ 0.00025 0.11523 -0.06970 -0.02113 0.00732 87 3S 0.34017 0.08617 -0.25481 0.78346 0.00443 88 3PX -0.11918 -0.01335 -0.01097 -0.28541 0.02395 89 3PY 0.57926 -0.03028 -0.00625 -0.25606 -0.18672 90 3PZ 0.38877 0.08158 -0.28900 0.08701 0.06557 91 4XX 0.01526 0.02769 -0.10353 0.00995 0.03499 92 4YY 0.05893 0.03365 0.07671 0.02830 -0.23767 93 4ZZ -0.08200 -0.03762 -0.01135 0.00502 0.24220 94 4XY -0.24171 -0.14045 0.06232 0.11370 -0.13558 95 4XZ -0.11524 -0.08108 0.17371 -0.03560 0.04643 96 4YZ -0.10702 -0.32063 0.29399 -0.03442 -0.11948 97 10 H 1S 0.30623 0.28892 -0.29181 -0.17539 0.05270 98 2S 0.18574 -0.11155 0.03187 -0.08577 -0.04356 99 11 H 1S 0.13165 -0.03200 0.14765 0.55434 -0.00115 100 2S -0.04572 -0.15013 0.05672 0.11568 -0.02080 101 12 H 1S -0.13158 -0.03211 0.14792 -0.55421 -0.00274 102 2S 0.04595 -0.15004 0.05679 -0.11557 -0.02112 103 13 C 1S -0.00283 0.02387 0.02059 0.00052 -0.00896 104 2S 0.04909 -0.16061 -0.09714 -0.02449 -0.04220 105 2PX 0.04459 -0.03746 -0.00147 0.02433 -0.00014 106 2PY 0.02909 -0.10550 -0.08808 0.11238 -0.03841 107 2PZ 0.01588 0.00923 0.00751 -0.02556 0.02965 108 3S 0.04135 -0.15534 -0.25106 0.14415 0.21426 109 3PX -0.31800 0.04825 -0.27330 -0.24392 -0.00547 110 3PY -0.04649 0.28942 0.12889 -0.58853 0.00526 111 3PZ 0.16318 0.12662 0.10524 0.25039 0.03865 112 4XX 0.01827 -0.18395 -0.13973 0.01124 0.01530 113 4YY 0.02093 0.29138 0.29809 0.02055 0.00662 114 4ZZ -0.04921 -0.09709 -0.13182 -0.05054 -0.02368 115 4XY -0.13283 0.06359 0.10156 -0.23543 0.08927 116 4XZ -0.07616 0.17943 -0.04126 -0.11230 -0.11864 117 4YZ -0.00137 -0.14292 -0.21568 -0.17696 0.00919 118 14 H 1S 0.06483 0.23212 0.24535 0.08370 -0.03518 119 2S 0.02733 0.02892 0.01322 -0.05767 -0.00060 120 15 H 1S -0.07079 0.14635 -0.02365 -0.07525 -0.11049 121 2S -0.11785 0.00950 -0.08298 -0.23747 0.00233 122 16 C 1S 0.00280 0.02387 0.02060 -0.00048 -0.00896 123 2S -0.04888 -0.16076 -0.09696 0.02450 -0.04207 124 2PX -0.04455 -0.03751 -0.00140 -0.02435 -0.00020 125 2PY 0.02893 0.10552 0.08804 0.11233 0.03875 126 2PZ -0.01590 0.00914 0.00750 0.02545 0.02974 127 3S -0.04120 -0.15520 -0.25142 -0.14497 0.21371 128 3PX 0.31796 0.04842 -0.27369 0.24391 -0.00480 129 3PY -0.04610 -0.28949 -0.12845 -0.58867 -0.00693 130 3PZ -0.16336 0.12684 0.10538 -0.25041 0.03786 131 4XX -0.01803 -0.18397 -0.13972 -0.01142 0.01528 132 4YY -0.02133 0.29138 0.29815 -0.02037 0.00656 133 4ZZ 0.04936 -0.09706 -0.13190 0.05058 -0.02356 134 4XY -0.13271 -0.06368 -0.10144 -0.23511 -0.08996 135 4XZ 0.07590 0.17957 -0.04134 0.11270 -0.11834 136 4YZ -0.00152 0.14285 0.21567 -0.17683 -0.00971 137 17 H 1S -0.06514 0.23214 0.24543 -0.08346 -0.03544 138 2S -0.02737 0.02901 0.01324 0.05766 -0.00042 139 18 H 1S 0.07059 0.14637 -0.02369 0.07565 -0.11027 140 2S 0.11786 0.00952 -0.08316 0.23745 0.00302 141 19 O 1S 0.01318 0.00778 -0.01628 -0.01395 0.01127 142 2S -0.01157 0.00661 -0.19185 0.01396 -0.00650 143 2PX 0.03044 0.01869 0.01147 0.07711 0.05626 144 2PY 0.18863 0.00400 0.01992 -0.12015 0.02864 145 2PZ -0.06695 0.03444 -0.05049 0.06719 0.19161 146 3S -0.17806 -0.12078 0.70910 0.23295 -0.20552 147 3PX -0.12964 0.18146 -0.17118 -0.19983 0.04754 148 3PY -0.25001 -0.00817 -0.20211 0.15532 0.02144 149 3PZ 0.13386 0.05668 0.06274 -0.13130 -0.42206 150 4XX -0.14412 -0.04588 -0.00568 0.04849 0.08460 151 4YY 0.43053 0.00363 -0.05021 -0.20196 -0.01679 152 4ZZ -0.21882 0.07862 -0.07606 0.09322 -0.04044 153 4XY 0.32679 0.04805 0.00953 -0.02953 -0.05401 154 4XZ -0.18697 -0.00890 -0.01112 0.04248 -0.07495 155 4YZ 0.00788 0.00916 -0.06378 0.00044 0.37979 156 20 O 1S -0.01319 0.00776 -0.01629 0.01391 0.01131 157 2S 0.01156 0.00655 -0.19179 -0.01398 -0.00656 158 2PX -0.03045 0.01866 0.01151 -0.07727 0.05599 159 2PY 0.18865 -0.00378 -0.01983 -0.12006 -0.02902 160 2PZ 0.06690 0.03452 -0.05045 -0.06778 0.19139 161 3S 0.17822 -0.12036 0.70901 -0.23216 -0.20620 162 3PX 0.12940 0.18156 -0.17126 0.19963 0.04821 163 3PY -0.25002 0.00790 0.20197 0.15545 -0.02097 164 3PZ -0.13390 0.05651 0.06270 0.13257 -0.42167 165 4XX 0.14417 -0.04571 -0.00562 -0.04872 0.08446 166 4YY -0.43052 0.00307 -0.05034 0.20199 -0.01619 167 4ZZ 0.21873 0.07889 -0.07599 -0.09314 -0.04072 168 4XY 0.32682 -0.04763 -0.00949 -0.02969 0.05398 169 4XZ 0.18697 -0.00867 -0.01108 -0.04230 -0.07505 170 4YZ 0.00791 -0.00914 0.06379 0.00156 -0.37978 171 21 C 1S 0.00000 -0.00268 0.01001 0.00002 -0.01279 172 2S -0.00004 0.03846 0.06317 0.00008 -0.03930 173 2PX -0.00001 0.02463 0.01167 0.00009 -0.06461 174 2PY 0.09359 0.00007 -0.00002 0.08854 0.00016 175 2PZ -0.00001 0.01392 0.01094 -0.00012 0.09069 176 3S 0.00015 -0.16651 -0.44831 -0.00060 0.36491 177 3PX 0.00004 -0.06101 0.28249 0.00061 -0.38001 178 3PY 0.20596 0.00013 0.00002 -0.06793 -0.00010 179 3PZ 0.00002 -0.11067 -0.10876 -0.00132 0.89920 180 4XX -0.00012 0.25386 -0.15192 0.00022 -0.17983 181 4YY 0.00013 -0.26760 0.14211 0.00014 -0.08445 182 4ZZ -0.00001 0.01552 -0.00110 -0.00040 0.29425 183 4XY -0.06664 -0.00004 -0.00005 0.18833 0.00033 184 4XZ -0.00007 0.10402 -0.10421 -0.00045 0.29797 185 4YZ -0.03557 -0.00001 -0.00002 0.06416 0.00011 186 22 H 1S 0.00001 -0.00876 0.10217 0.00079 -0.54672 187 2S -0.00005 0.08901 0.07118 0.00038 -0.25229 188 23 H 1S 0.00001 -0.06170 0.01093 -0.00055 0.37915 189 2S -0.00004 0.03691 -0.07692 -0.00031 0.20252 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01316 2.01546 2.02324 2.05925 1 1 C 1S -0.00521 -0.00911 -0.01021 0.01048 0.00451 2 2S -0.16802 -0.05528 -0.45324 0.05756 0.13637 3 2PX 0.02963 -0.00736 0.03146 -0.05743 -0.02363 4 2PY -0.01967 0.04933 0.08759 -0.13763 -0.01500 5 2PZ 0.06787 0.00301 0.12948 -0.01376 -0.02529 6 3S 0.57492 0.50924 1.61116 -0.50052 0.02103 7 3PX -0.16710 0.06278 -0.23820 0.05968 0.04214 8 3PY -0.11719 0.02443 -0.72162 0.12801 0.02151 9 3PZ -0.43398 -0.10539 -0.72392 0.11170 0.06462 10 4XX 0.01750 -0.04511 -0.01136 0.14845 0.13737 11 4YY -0.03052 0.03419 -0.09959 -0.15869 -0.07020 12 4ZZ -0.00097 0.00262 0.12517 0.04452 -0.03681 13 4XY -0.07740 0.07140 -0.07089 -0.17774 0.00423 14 4XZ 0.00843 0.01092 0.02998 -0.10596 0.00942 15 4YZ -0.00851 0.22053 0.09752 -0.31574 0.15627 16 2 C 1S 0.00060 0.01474 -0.00632 0.00006 0.00460 17 2S 0.18433 0.45815 0.19377 -0.51485 0.22291 18 2PX -0.04821 0.06393 -0.13138 -0.00115 0.08241 19 2PY -0.06251 -0.08342 -0.04453 0.17159 -0.04164 20 2PZ -0.07034 0.05248 -0.12463 -0.05511 0.09129 21 3S -0.44595 -1.01877 -0.65619 0.77538 -0.39492 22 3PX 0.18184 -0.21403 0.51763 -0.00040 -0.05748 23 3PY 0.10505 0.38792 0.61819 -0.63657 0.20555 24 3PZ -0.04629 0.00670 0.13095 0.17959 -0.02599 25 4XX -0.04966 0.01207 -0.16388 0.04149 -0.02367 26 4YY -0.07473 0.08608 0.13791 -0.07813 0.10060 27 4ZZ 0.09548 -0.10927 0.00836 0.04608 -0.08266 28 4XY -0.17708 0.05925 -0.26641 -0.04091 -0.03978 29 4XZ -0.08092 0.05940 -0.16265 0.13511 0.05218 30 4YZ -0.01990 0.03181 -0.12954 -0.06070 0.09203 31 3 C 1S -0.00060 0.01472 0.00637 0.00005 0.00459 32 2S -0.18436 0.45869 -0.19258 -0.51474 0.22280 33 2PX 0.04824 0.06349 0.13162 -0.00124 0.08237 34 2PY -0.06256 0.08356 -0.04437 -0.17155 0.04167 35 2PZ 0.07030 0.05209 0.12478 -0.05519 0.09130 36 3S 0.44578 -1.02071 0.65320 0.77500 -0.39448 37 3PX -0.18192 -0.21230 -0.51839 -0.00006 -0.05734 38 3PY 0.10506 -0.38993 0.61715 0.63615 -0.20540 39 3PZ 0.04643 0.00710 -0.13080 0.17963 -0.02612 40 4XX 0.04965 0.01156 0.16399 0.04139 -0.02361 41 4YY 0.07473 0.08654 -0.13769 -0.07805 0.10055 42 4ZZ -0.09550 -0.10926 -0.00874 0.04609 -0.08264 43 4XY -0.17710 -0.05839 -0.26659 0.04113 0.03985 44 4XZ 0.08099 0.05886 0.16295 0.13497 0.05210 45 4YZ -0.01985 -0.03143 -0.12956 0.06079 -0.09212 46 4 C 1S 0.00521 -0.00915 0.01019 0.01047 0.00451 47 2S 0.16805 -0.05672 0.45322 0.05725 0.13643 48 2PX -0.02965 -0.00726 -0.03153 -0.05742 -0.02364 49 2PY -0.01963 -0.04962 0.08754 0.13757 0.01501 50 2PZ -0.06788 0.00341 -0.12952 -0.01367 -0.02532 51 3S -0.57494 0.51445 -1.60988 -0.49939 0.02081 52 3PX 0.16714 0.06199 0.23849 0.05949 0.04216 53 3PY -0.11721 -0.02204 -0.72174 -0.12749 -0.02156 54 3PZ 0.43394 -0.10773 0.72366 0.11115 0.06469 55 4XX -0.01748 -0.04514 0.01137 0.14842 0.13741 56 4YY 0.03042 0.03386 0.09952 -0.15870 -0.07018 57 4ZZ 0.00105 0.00304 -0.12510 0.04458 -0.03684 58 4XY -0.07735 -0.07117 -0.07100 0.17783 -0.00419 59 4XZ -0.00845 0.01102 -0.03005 -0.10599 0.00936 60 4YZ -0.00841 -0.22087 0.09700 0.31568 -0.15628 61 5 H 1S 0.04982 -0.17185 -0.03588 0.27129 -0.08792 62 2S 0.11062 -0.01436 0.22747 -0.09434 0.00324 63 6 H 1S -0.04975 -0.17196 0.03551 0.27129 -0.08787 64 2S -0.11064 -0.01360 -0.22756 -0.09417 0.00323 65 7 C 1S 0.00012 -0.00262 -0.00344 0.00581 0.00037 66 2S -0.11763 0.10920 0.20833 0.31582 0.13551 67 2PX -0.05785 0.21835 0.00487 0.01580 -0.01605 68 2PY 0.07312 0.00674 -0.01024 -0.11369 -0.21800 69 2PZ -0.01383 0.05404 0.08248 0.00505 -0.01435 70 3S -0.26969 0.48073 -0.85914 -0.16300 0.05299 71 3PX -0.32170 -0.42412 -0.55379 -0.05297 0.10783 72 3PY 0.12662 0.40009 0.40005 0.35826 0.23029 73 3PZ -0.56330 -0.14077 -0.93332 -0.26800 0.14253 74 4XX 0.09355 -0.12253 -0.06530 -0.10425 0.35833 75 4YY -0.08767 0.03044 0.03724 -0.12150 -0.43305 76 4ZZ -0.06309 0.13813 -0.03925 0.21584 0.13674 77 4XY -0.06786 -0.09585 -0.02851 -0.01430 0.02734 78 4XZ 0.14713 -0.36619 0.15761 0.07711 0.04071 79 4YZ -0.03978 -0.18836 0.08379 -0.15004 0.06896 80 8 H 1S -0.15503 -0.25969 -0.15247 -0.24605 0.08958 81 2S -0.16011 -0.21175 -0.30073 -0.08112 -0.01839 82 9 C 1S -0.00013 -0.00263 0.00343 0.00580 0.00037 83 2S 0.11764 0.10993 -0.20789 0.31592 0.13571 84 2PX 0.05792 0.21834 -0.00418 0.01577 -0.01609 85 2PY 0.07314 -0.00672 -0.01019 0.11368 0.21798 86 2PZ 0.01382 0.05432 -0.08230 0.00508 -0.01432 87 3S 0.26995 0.47770 0.86060 -0.16359 0.05203 88 3PX 0.32159 -0.42591 0.55241 -0.05328 0.10776 89 3PY 0.12644 -0.40143 0.39864 -0.35849 -0.23057 90 3PZ 0.56326 -0.14392 0.93281 -0.26867 0.14205 91 4XX -0.09354 -0.12275 0.06491 -0.10425 0.35830 92 4YY 0.08762 0.03054 -0.03725 -0.12151 -0.43307 93 4ZZ 0.06314 0.13801 0.03982 0.21579 0.13673 94 4XY -0.06779 0.09592 -0.02823 0.01433 -0.02736 95 4XZ -0.14716 -0.36566 -0.15877 0.07728 0.04082 96 4YZ -0.03968 0.18813 0.08438 0.15001 -0.06893 97 10 H 1S 0.15488 -0.26019 0.15161 -0.24616 0.08953 98 2S 0.16004 -0.21276 0.30001 -0.08132 -0.01848 99 11 H 1S -0.10074 -0.03048 0.15740 0.11893 -0.04983 100 2S 0.03326 -0.01671 0.14288 0.11891 -0.03541 101 12 H 1S 0.10074 -0.02993 -0.15748 0.11902 -0.04987 102 2S -0.03323 -0.01623 -0.14289 0.11903 -0.03538 103 13 C 1S -0.00109 0.00137 0.01905 0.01317 -0.00752 104 2S -0.28240 -0.11321 -0.29361 -0.03628 -0.18236 105 2PX -0.10852 0.05614 -0.18729 -0.06093 -0.01913 106 2PY -0.01491 -0.06367 0.02660 0.03850 -0.05954 107 2PZ -0.04211 -0.01750 -0.10364 -0.02961 -0.00697 108 3S 0.41135 0.30595 -0.32973 -0.27584 0.28719 109 3PX 0.47165 0.10029 0.56377 -0.00305 0.15045 110 3PY 0.23146 0.07740 -0.01822 -0.06376 0.08665 111 3PZ -0.19391 0.08610 -0.35613 -0.03656 0.13940 112 4XX 0.00109 -0.11593 -0.02651 0.07248 0.02106 113 4YY -0.04598 0.12631 -0.08915 0.02604 0.04519 114 4ZZ 0.07363 -0.01315 0.14657 -0.06939 -0.07486 115 4XY 0.10744 -0.05002 0.12021 -0.09317 -0.00901 116 4XZ 0.13508 0.10780 0.22223 0.12180 0.09115 117 4YZ -0.04299 0.10065 -0.22034 -0.13405 -0.02456 118 14 H 1S -0.07764 -0.02721 -0.01517 0.12869 0.04163 119 2S -0.10549 -0.02528 -0.16150 -0.00527 0.01923 120 15 H 1S 0.07553 0.12351 0.18242 0.04264 0.00656 121 2S 0.14404 -0.06807 0.17549 0.03246 0.00142 122 16 C 1S 0.00109 0.00143 -0.01904 0.01318 -0.00752 123 2S 0.28237 -0.11418 0.29313 -0.03652 -0.18244 124 2PX 0.10853 0.05554 0.18741 -0.06106 -0.01914 125 2PY -0.01491 0.06358 0.02682 -0.03852 0.05954 126 2PZ 0.04211 -0.01783 0.10357 -0.02969 -0.00696 127 3S -0.41126 0.30504 0.33068 -0.27596 0.28759 128 3PX -0.47161 0.10213 -0.56340 -0.00266 0.15068 129 3PY 0.23150 -0.07731 -0.01843 0.06376 -0.08672 130 3PZ 0.19390 0.08493 0.35647 -0.03676 0.13934 131 4XX -0.00106 -0.11604 0.02628 0.07246 0.02104 132 4YY 0.04597 0.12601 0.08952 0.02600 0.04520 133 4ZZ -0.07366 -0.01264 -0.14670 -0.06931 -0.07485 134 4XY 0.10745 0.04967 0.12040 0.09310 0.00903 135 4XZ -0.13497 0.10848 -0.22169 0.12198 0.09119 136 4YZ -0.04300 -0.09996 -0.22061 0.13419 0.02456 137 17 H 1S 0.07767 -0.02729 0.01522 0.12869 0.04158 138 2S 0.10549 -0.02586 0.16144 -0.00538 0.01917 139 18 H 1S -0.07548 0.12409 -0.18200 0.04275 0.00660 140 2S -0.14406 -0.06751 -0.17569 0.03258 0.00146 141 19 O 1S -0.02357 -0.00460 -0.00010 -0.00234 0.02093 142 2S 0.04092 0.49084 -0.33102 0.22936 0.15463 143 2PX 0.22158 -0.13690 -0.07843 0.06087 0.18403 144 2PY -0.16825 -0.09266 0.17414 -0.04740 -0.01817 145 2PZ 0.10050 -0.13857 0.00921 0.03968 0.00369 146 3S 0.44183 -0.92369 0.89951 -0.41901 -0.64858 147 3PX -0.39428 0.09955 -0.04957 -0.16846 -0.32931 148 3PY 0.06764 0.19239 -0.29961 0.08275 0.22360 149 3PZ -0.17560 0.18689 -0.09249 -0.13902 0.14588 150 4XX -0.02037 0.00898 -0.06577 0.02145 -0.03533 151 4YY -0.08977 0.17740 0.00865 0.08591 0.05415 152 4ZZ 0.07287 -0.00075 -0.09460 -0.03888 0.08675 153 4XY 0.25576 0.04661 -0.05288 0.07983 0.16892 154 4XZ -0.08362 -0.17499 0.03963 -0.09856 0.10853 155 4YZ 0.06872 0.01655 -0.04328 0.16715 -0.14118 156 20 O 1S 0.02357 -0.00460 0.00009 -0.00235 0.02093 157 2S -0.04066 0.48980 0.33262 0.22921 0.15450 158 2PX -0.22159 -0.13709 0.07803 0.06090 0.18409 159 2PY -0.16821 0.09216 0.17444 0.04737 0.01816 160 2PZ -0.10054 -0.13852 -0.00960 0.03973 0.00370 161 3S -0.44238 -0.92069 -0.90260 -0.41843 -0.64813 162 3PX 0.39422 0.09927 0.04982 -0.16861 -0.32955 163 3PY 0.06750 -0.19148 -0.30025 -0.08263 -0.22352 164 3PZ 0.17567 0.18657 0.09295 -0.13913 0.14584 165 4XX 0.02036 0.00878 0.06581 0.02143 -0.03534 166 4YY 0.08985 0.17737 -0.00806 0.08588 0.05411 167 4ZZ -0.07285 -0.00102 0.09458 -0.03891 0.08675 168 4XY 0.25569 -0.04649 -0.05302 -0.07987 -0.16897 169 4XZ 0.08360 -0.17489 -0.04022 -0.09855 0.10851 170 4YZ 0.06875 -0.01641 -0.04344 -0.16716 0.14121 171 21 C 1S -0.00001 -0.03845 -0.00007 -0.03336 -0.02133 172 2S -0.00003 -0.27276 -0.00050 -0.17214 0.06538 173 2PX -0.00003 -0.05854 -0.00009 -0.05631 -0.11812 174 2PY 0.28701 0.00025 -0.18103 0.00000 -0.00001 175 2PZ -0.00002 0.04163 0.00007 0.00954 -0.13652 176 3S 0.00037 1.26559 0.00225 1.06575 0.80280 177 3PX 0.00000 -0.21512 -0.00044 -0.16372 0.28783 178 3PY -0.17170 -0.00011 0.08600 0.00001 -0.00002 179 3PZ -0.00011 -0.43146 -0.00058 0.27457 -0.56975 180 4XX -0.00001 0.11753 0.00016 -0.10950 0.06191 181 4YY -0.00004 -0.22045 -0.00037 -0.20033 0.03684 182 4ZZ 0.00004 0.10201 0.00023 0.36445 -0.07726 183 4XY 0.59534 0.00043 -0.32207 -0.00001 -0.00003 184 4XZ -0.00008 0.01916 0.00005 -0.07403 -0.43828 185 4YZ 0.23795 0.00021 -0.14658 0.00000 0.00003 186 22 H 1S -0.00003 -0.14084 -0.00032 -0.42750 0.21723 187 2S 0.00000 0.04189 0.00002 -0.14291 0.01803 188 23 H 1S -0.00012 -0.22453 -0.00035 -0.12333 -0.51857 189 2S -0.00005 -0.19378 -0.00028 0.00305 -0.20156 146 147 148 149 150 V V V V V Eigenvalues -- 2.07782 2.09881 2.11356 2.18124 2.18373 1 1 C 1S 0.02663 0.00195 0.00623 -0.01260 -0.00525 2 2S 0.33981 0.27199 0.33496 -0.21394 -0.22737 3 2PX -0.00513 -0.02687 -0.01679 0.00063 -0.01295 4 2PY -0.08343 -0.04638 -0.14023 0.00326 0.03800 5 2PZ -0.04528 -0.14356 -0.03916 0.06361 0.04019 6 3S -0.87034 -0.87583 -0.15119 0.61115 -0.04115 7 3PX 0.17076 0.03712 -0.03071 -0.03768 -0.03193 8 3PY 0.02497 0.07553 0.18905 -0.36620 -0.16389 9 3PZ 0.54238 0.35423 0.12247 -0.18072 -0.16611 10 4XX 0.23704 0.08397 0.23594 -0.01533 -0.00666 11 4YY -0.02871 0.10296 -0.29337 -0.02166 0.03572 12 4ZZ -0.17626 -0.13767 0.10150 0.02599 -0.01704 13 4XY -0.00481 -0.06099 -0.03387 0.08892 -0.07651 14 4XZ -0.20506 -0.23152 0.11731 0.01928 -0.08770 15 4YZ 0.11657 0.04094 0.09909 -0.01400 -0.15294 16 2 C 1S -0.01122 -0.02603 0.00401 -0.00982 -0.00959 17 2S -0.18357 -0.37198 -0.02298 -0.02645 -0.20635 18 2PX 0.08799 -0.08544 0.05792 -0.05884 -0.05235 19 2PY -0.02342 -0.05578 0.03380 -0.01840 0.04107 20 2PZ 0.17747 0.06322 0.09846 -0.07598 -0.08097 21 3S 0.92268 1.45731 -0.02951 0.20710 0.36833 22 3PX -0.21534 0.33222 0.21369 0.09881 0.12287 23 3PY -0.52884 -0.37072 0.22151 0.00030 -0.18682 24 3PZ 0.11617 -0.31026 -0.10738 0.15508 0.08824 25 4XX 0.35924 0.22506 -0.07076 -0.01194 -0.09761 26 4YY -0.18782 -0.14114 0.13506 0.02310 0.01670 27 4ZZ -0.09858 -0.00954 -0.08625 -0.01825 0.09489 28 4XY 0.17906 -0.11071 -0.08072 -0.05709 -0.13046 29 4XZ 0.04873 -0.24321 0.06866 0.04758 -0.00449 30 4YZ -0.06556 0.28374 0.07456 -0.05181 0.06140 31 3 C 1S -0.01120 0.02605 0.00401 0.00985 -0.00955 32 2S -0.18328 0.37225 -0.02290 0.02707 -0.20602 33 2PX 0.08807 0.08537 0.05796 0.05898 -0.05219 34 2PY 0.02337 -0.05577 -0.03386 -0.01829 -0.04108 35 2PZ 0.17743 -0.06341 0.09841 0.07618 -0.08080 36 3S 0.92136 -1.45848 -0.03005 -0.20828 0.36688 37 3PX -0.21550 -0.33224 0.21357 -0.09918 0.12266 38 3PY 0.52821 -0.37109 -0.22145 -0.00024 0.18629 39 3PZ 0.11631 0.31024 -0.10704 -0.15530 0.08773 40 4XX 0.35898 -0.22526 -0.07088 0.01218 -0.09765 41 4YY -0.18757 0.14124 0.13508 -0.02313 0.01669 42 4ZZ -0.09862 0.00960 -0.08620 0.01799 0.09495 43 4XY -0.17907 -0.11060 0.08066 -0.05744 0.13033 44 4XZ 0.04888 0.24320 0.06881 -0.04757 -0.00460 45 4YZ 0.06576 0.28372 -0.07431 -0.05166 -0.06159 46 4 C 1S 0.02663 -0.00198 0.00623 0.01261 -0.00522 47 2S 0.33953 -0.27247 0.33475 0.21454 -0.22684 48 2PX -0.00510 0.02687 -0.01678 -0.00061 -0.01294 49 2PY 0.08335 -0.04654 0.14019 0.00335 -0.03798 50 2PZ -0.04518 0.14362 -0.03902 -0.06372 0.04000 51 3S -0.86912 0.87680 -0.15099 -0.61095 -0.04197 52 3PX 0.17065 -0.03724 -0.03067 0.03781 -0.03205 53 3PY -0.02463 0.07560 -0.18902 -0.36664 0.16311 54 3PZ 0.54195 -0.35478 0.12234 0.18115 -0.16604 55 4XX 0.23699 -0.08428 0.23584 0.01531 -0.00660 56 4YY -0.02880 -0.10275 -0.29347 0.02159 0.03582 57 4ZZ -0.17612 0.13772 0.10164 -0.02594 -0.01715 58 4XY 0.00480 -0.06097 0.03389 0.08871 0.07675 59 4XZ -0.20481 0.23168 0.11743 -0.01906 -0.08775 60 4YZ -0.11663 0.04109 -0.09903 -0.01441 0.15290 61 5 H 1S 0.05699 0.15348 -0.10689 -0.02147 0.17804 62 2S -0.12349 -0.05400 -0.00382 0.06340 0.03097 63 6 H 1S 0.05682 -0.15350 -0.10698 0.02099 0.17813 64 2S -0.12338 0.05409 -0.00380 -0.06349 0.03090 65 7 C 1S 0.00578 0.02893 0.00778 0.02869 0.02949 66 2S 0.00939 0.76549 -0.02304 0.46030 0.64133 67 2PX -0.09155 -0.11842 0.03406 0.15826 0.04739 68 2PY 0.00974 0.02283 0.03318 0.03149 -0.21268 69 2PZ -0.02814 0.09462 -0.00274 0.19462 0.08626 70 3S -0.25045 -2.89429 -0.16511 -1.89567 -0.67118 71 3PX 0.25279 -0.01975 -0.13974 -0.99584 -0.25831 72 3PY -0.14595 0.70089 -0.10217 1.06070 0.44852 73 3PZ 0.13753 -1.03930 -0.05188 -1.16608 -0.54654 74 4XX 0.00948 -0.16347 0.00828 -0.06239 0.16221 75 4YY 0.01766 -0.00210 0.04619 0.00364 -0.24322 76 4ZZ -0.03175 0.03694 -0.02879 0.09705 0.08480 77 4XY 0.06301 0.14631 0.05354 0.18440 0.08430 78 4XZ 0.01779 0.17510 -0.13928 -0.41963 -0.14934 79 4YZ 0.10721 -0.08402 -0.01976 -0.15723 -0.10915 80 8 H 1S 0.16206 -0.01996 0.03470 -0.15626 -0.06323 81 2S 0.11906 -0.14085 0.01708 -0.49053 -0.22472 82 9 C 1S 0.00575 -0.02894 0.00777 -0.02877 0.02941 83 2S 0.00882 -0.76550 -0.02345 -0.46207 0.63996 84 2PX -0.09147 0.11849 0.03412 -0.15838 0.04699 85 2PY -0.00972 0.02294 -0.03315 0.03091 0.21277 86 2PZ -0.02821 -0.09459 -0.00279 -0.19485 0.08572 87 3S -0.24814 2.89481 -0.16368 1.89753 -0.66543 88 3PX 0.25286 0.01962 -0.13979 0.99650 -0.25559 89 3PY 0.14658 0.70055 0.10244 1.06190 -0.44545 90 3PZ 0.13833 1.03929 -0.05147 1.16755 -0.54315 91 4XX 0.00959 0.16357 0.00837 0.06195 0.16239 92 4YY 0.01766 0.00191 0.04621 -0.00298 -0.24321 93 4ZZ -0.03178 -0.03684 -0.02885 -0.09726 0.08453 94 4XY -0.06292 0.14642 -0.05346 0.18465 -0.08378 95 4XZ 0.01768 -0.17506 -0.13927 0.42000 -0.14827 96 4YZ -0.10728 -0.08399 0.01969 -0.15754 0.10871 97 10 H 1S 0.16209 0.01982 0.03467 0.15643 -0.06279 98 2S 0.11917 0.14069 0.01711 0.49110 -0.22335 99 11 H 1S 0.11446 -0.05359 -0.14764 0.02684 0.01514 100 2S 0.15983 0.08827 -0.08740 0.03792 0.01530 101 12 H 1S 0.11466 0.05363 -0.14767 -0.02688 0.01512 102 2S 0.15983 -0.08833 -0.08751 -0.03794 0.01531 103 13 C 1S 0.02148 -0.01304 -0.00924 -0.01409 0.00378 104 2S -0.34269 -0.04280 -0.06429 -0.29366 0.12564 105 2PX -0.08345 0.04465 0.00268 -0.05943 0.01196 106 2PY -0.08857 0.04311 -0.01189 -0.01027 0.03247 107 2PZ -0.11461 0.02511 0.03432 -0.01128 0.00197 108 3S -0.23068 0.72770 0.22068 0.72387 -0.16152 109 3PX 0.28099 0.20099 -0.15590 0.30225 -0.01881 110 3PY 0.19533 0.09826 0.03557 0.25809 -0.08976 111 3PZ -0.14599 0.12897 0.42384 0.00502 -0.19037 112 4XX -0.08168 0.03361 0.28325 0.01396 -0.23832 113 4YY 0.25283 0.07659 -0.02920 -0.03491 -0.02211 114 4ZZ -0.09760 -0.12691 -0.28121 0.05371 0.25428 115 4XY -0.27469 -0.19855 0.16372 0.08705 -0.06593 116 4XZ 0.16660 0.11192 0.19490 0.05879 -0.09783 117 4YZ 0.15370 0.08853 -0.29403 -0.08351 0.05529 118 14 H 1S -0.03989 0.01019 0.38513 -0.04789 -0.18769 119 2S -0.01013 -0.01249 0.04941 -0.05445 -0.01498 120 15 H 1S 0.31301 0.06338 -0.25205 -0.03114 0.12821 121 2S 0.07914 -0.07996 -0.08668 0.07608 0.01752 122 16 C 1S 0.02151 0.01303 -0.00923 0.01408 0.00383 123 2S -0.34257 0.04303 -0.06430 0.29332 0.12647 124 2PX -0.08350 -0.04459 0.00266 0.05941 0.01209 125 2PY 0.08857 0.04305 0.01194 -0.01018 -0.03251 126 2PZ -0.11466 -0.02506 0.03432 0.01128 0.00198 127 3S -0.23181 -0.72753 0.22043 -0.72338 -0.16403 128 3PX 0.28095 -0.20103 -0.15606 -0.30218 -0.01967 129 3PY -0.19501 0.09838 -0.03557 0.25787 0.09055 130 3PZ -0.14620 -0.12907 0.42363 -0.00457 -0.19042 131 4XX -0.08172 -0.03371 0.28317 -0.01334 -0.23829 132 4YY 0.25273 -0.07671 -0.02921 0.03495 -0.02203 133 4ZZ -0.09745 0.12707 -0.28109 -0.05436 0.25408 134 4XY 0.27458 -0.19868 -0.16393 0.08687 0.06623 135 4XZ 0.16647 -0.11209 0.19493 -0.05855 -0.09803 136 4YZ -0.15363 0.08851 0.29411 -0.08340 -0.05551 137 17 H 1S -0.03989 -0.01035 0.38510 0.04835 -0.18752 138 2S -0.01017 0.01247 0.04935 0.05448 -0.01480 139 18 H 1S 0.31301 -0.06344 -0.25209 0.03081 0.12833 140 2S 0.07925 0.07994 -0.08661 -0.07613 0.01732 141 19 O 1S 0.00550 -0.00816 0.00314 -0.02039 0.01567 142 2S -0.23117 -0.33213 -0.12525 0.13950 -0.13012 143 2PX 0.02422 0.08189 -0.09781 -0.11829 -0.04710 144 2PY 0.04983 0.03854 0.07312 -0.09857 0.11764 145 2PZ 0.01670 -0.01075 -0.01538 -0.13586 -0.04576 146 3S 0.32611 1.10222 0.16932 0.60022 0.03722 147 3PX 0.00385 -0.45936 0.07985 -0.11436 -0.23742 148 3PY -0.07795 -0.17813 -0.05961 -0.03150 -0.03150 149 3PZ -0.03377 -0.04645 -0.07425 0.14761 0.00008 150 4XX 0.09912 -0.04741 0.09346 -0.18088 0.18937 151 4YY -0.07665 -0.12078 -0.02467 0.04095 -0.01804 152 4ZZ -0.07081 0.02976 -0.08811 0.13104 -0.15076 153 4XY -0.06342 0.01720 -0.07982 0.13622 0.01757 154 4XZ -0.01974 -0.05389 -0.03823 -0.16275 -0.15461 155 4YZ 0.03498 -0.11031 0.03171 -0.27257 0.04284 156 20 O 1S 0.00551 0.00816 0.00314 0.02035 0.01572 157 2S -0.23094 0.33248 -0.12518 -0.13913 -0.13043 158 2PX 0.02413 -0.08181 -0.09786 0.11841 -0.04681 159 2PY -0.04984 0.03863 -0.07317 -0.09825 -0.11791 160 2PZ 0.01672 0.01074 -0.01536 0.13597 -0.04541 161 3S 0.32526 -1.10286 0.16891 -0.60037 0.03534 162 3PX 0.00424 0.45925 0.08010 0.11501 -0.23701 163 3PY 0.07783 -0.17830 0.05962 -0.03160 0.03138 164 3PZ -0.03374 0.04659 -0.07423 -0.14761 -0.00029 165 4XX 0.09914 0.04724 0.09348 0.18034 0.18984 166 4YY -0.07655 0.12088 -0.02460 -0.04089 -0.01812 167 4ZZ -0.07084 -0.02960 -0.08817 -0.13060 -0.15111 168 4XY 0.06345 0.01705 0.07983 0.13626 -0.01720 169 4XZ -0.01966 0.05395 -0.03817 0.16319 -0.15416 170 4YZ -0.03506 -0.11023 -0.03175 -0.27243 -0.04358 171 21 C 1S 0.01865 -0.00001 0.00407 0.00004 -0.03080 172 2S 0.03154 0.00007 -0.22077 0.00057 -0.43031 173 2PX 0.05179 -0.00007 0.08211 -0.00001 -0.00015 174 2PY 0.00000 -0.03415 0.00002 0.05470 0.00007 175 2PZ 0.01727 -0.00003 0.03870 -0.00001 0.00803 176 3S -0.51401 0.00033 0.03362 -0.00141 1.07739 177 3PX -0.07717 0.00021 -0.42123 0.00088 -0.65768 178 3PY 0.00002 0.09435 0.00001 0.02361 0.00003 179 3PZ 0.25683 -0.00024 0.06383 0.00055 -0.43046 180 4XX -0.00241 -0.00004 0.11629 -0.00051 0.36754 181 4YY 0.11649 -0.00011 0.18312 -0.00037 0.27664 182 4ZZ -0.11493 0.00014 -0.30144 0.00088 -0.64636 183 4XY 0.00005 0.02023 0.00006 0.21560 0.00031 184 4XZ 0.14200 -0.00019 0.25576 -0.00026 0.20967 185 4YZ -0.00007 -0.23789 -0.00003 -0.44911 -0.00061 186 22 H 1S 0.04581 -0.00003 0.11318 -0.00043 0.31253 187 2S -0.04621 0.00004 -0.02947 0.00004 -0.02112 188 23 H 1S 0.22758 -0.00024 0.24601 -0.00006 0.05394 189 2S 0.11555 -0.00012 0.09601 0.00007 -0.06354 151 152 153 154 155 V V V V V Eigenvalues -- 2.23784 2.26189 2.27822 2.27962 2.31628 1 1 C 1S 0.00647 -0.00848 -0.00421 0.02783 -0.00787 2 2S 0.14717 -0.39003 0.05016 0.38704 -0.16137 3 2PX 0.02354 0.01838 -0.03631 -0.07383 0.01273 4 2PY -0.03852 0.09389 -0.00219 0.07258 -0.00533 5 2PZ 0.03570 0.09666 -0.04401 -0.05675 -0.06059 6 3S -1.50073 0.42996 0.05795 -2.98701 1.41757 7 3PX 0.45509 0.09567 -0.01985 0.60656 0.09602 8 3PY 0.53521 -0.04491 0.07148 1.03351 -0.66594 9 3PZ 0.43696 -0.26816 0.05011 1.62219 -0.77886 10 4XX -0.25721 -0.27237 0.05661 0.14999 -0.08161 11 4YY -0.02044 0.19187 -0.01926 -0.07060 0.03711 12 4ZZ 0.20402 0.09433 -0.04989 -0.11142 0.12906 13 4XY -0.19434 0.04907 -0.06120 0.39454 -0.33649 14 4XZ -0.20468 -0.14868 0.11383 -0.06662 -0.35754 15 4YZ 0.02503 -0.02060 -0.03423 -0.03780 0.18224 16 2 C 1S -0.00553 0.00535 0.00965 -0.03399 0.00912 17 2S -0.41099 0.13889 -0.07473 -0.39081 0.43274 18 2PX 0.01151 -0.03073 0.00415 -0.00370 0.00153 19 2PY 0.10837 0.00053 0.03922 0.01198 -0.07789 20 2PZ 0.01851 -0.06478 -0.00220 0.10893 -0.08127 21 3S 1.17943 -0.46760 -0.08629 2.70766 -1.25957 22 3PX -0.48233 -0.32900 0.09292 -0.41700 -0.13405 23 3PY -0.98335 -0.22479 -0.01348 -1.54158 0.74983 24 3PZ 0.20233 0.05045 -0.01250 0.05324 0.20872 25 4XX 0.17400 0.21912 0.03551 0.36105 -0.08169 26 4YY -0.23215 -0.31153 0.10549 -0.07234 0.01475 27 4ZZ 0.10871 0.07244 -0.10164 -0.20767 -0.01165 28 4XY 0.24422 0.18404 -0.12546 0.10246 0.24206 29 4XZ -0.04085 -0.04985 0.06676 0.00023 -0.11216 30 4YZ -0.18048 -0.17598 0.04767 -0.05658 0.06928 31 3 C 1S 0.00554 0.00536 0.00960 0.03401 -0.00911 32 2S 0.41103 0.13899 -0.07527 0.39073 -0.43276 33 2PX -0.01149 -0.03071 0.00414 0.00371 -0.00152 34 2PY 0.10835 -0.00054 -0.03921 0.01190 -0.07787 35 2PZ -0.01848 -0.06478 -0.00205 -0.10892 0.08121 36 3S -1.17968 -0.46841 -0.08210 -2.70803 1.25925 37 3PX 0.48245 -0.32883 0.09216 0.41736 0.13429 38 3PY -0.98347 0.22437 0.01590 -1.54175 0.74949 39 3PZ -0.20236 0.05046 -0.01231 -0.05328 -0.20890 40 4XX -0.17411 0.21909 0.03614 -0.36118 0.08212 41 4YY 0.23224 -0.31153 0.10534 0.07265 -0.01464 42 4ZZ -0.10870 0.07246 -0.10198 0.20756 0.01112 43 4XY 0.24419 -0.18389 0.12520 0.10263 0.24253 44 4XZ 0.04079 -0.04988 0.06668 -0.00020 0.11253 45 4YZ -0.18054 0.17602 -0.04759 -0.05677 0.06940 46 4 C 1S -0.00647 -0.00848 -0.00417 -0.02784 0.00785 47 2S -0.14701 -0.39013 0.05080 -0.38678 0.16115 48 2PX -0.02354 0.01841 -0.03643 0.07376 -0.01283 49 2PY -0.03847 -0.09390 0.00207 0.07265 -0.00552 50 2PZ -0.03575 0.09669 -0.04414 0.05661 0.06059 51 3S 1.50078 0.43059 0.05325 2.98712 -1.41708 52 3PX -0.45513 0.09548 -0.01872 -0.60670 -0.09620 53 3PY 0.53503 0.04506 -0.07306 1.03320 -0.66580 54 3PZ -0.43695 -0.26851 0.05265 -1.62213 0.77869 55 4XX 0.25728 -0.27235 0.05678 -0.14992 0.08166 56 4YY 0.02029 0.19183 -0.01935 0.07048 -0.03686 57 4ZZ -0.20393 0.09435 -0.05002 0.11144 -0.12943 58 4XY -0.19435 -0.04906 0.06068 0.39459 -0.33619 59 4XZ 0.20469 -0.14859 0.11356 0.06679 0.35804 60 4YZ 0.02501 0.02058 0.03425 -0.03775 0.18232 61 5 H 1S 0.02372 -0.00355 -0.00502 -0.13778 0.13555 62 2S -0.16834 0.03385 -0.04970 -0.46584 0.18536 63 6 H 1S -0.02379 -0.00354 -0.00520 0.13774 -0.13554 64 2S 0.16833 0.03394 -0.05046 0.46575 -0.18532 65 7 C 1S -0.01494 0.00358 0.01775 0.01601 -0.00403 66 2S -0.27156 0.32015 0.13286 0.31323 0.15411 67 2PX -0.02218 0.03452 -0.07146 0.03332 0.05161 68 2PY -0.03733 -0.14709 -0.10692 0.01069 -0.00858 69 2PZ -0.05502 0.06932 -0.01754 0.03509 0.07480 70 3S 0.87068 -0.06885 -0.33562 -1.37905 -0.27121 71 3PX 0.17272 -0.29416 -0.21184 -0.07841 -0.39894 72 3PY -0.18019 0.40688 0.11471 0.43367 0.34130 73 3PZ 0.28391 -0.23849 -0.05151 -0.47121 -0.22012 74 4XX 0.07184 0.00505 -0.28112 -0.07891 -0.09103 75 4YY 0.03119 -0.19701 -0.10289 -0.01282 0.01277 76 4ZZ -0.09166 0.16782 0.42922 0.05221 0.04912 77 4XY 0.17026 -0.08325 -0.13914 -0.15390 -0.14711 78 4XZ 0.19338 -0.05491 -0.02395 0.02638 -0.22285 79 4YZ -0.09584 -0.03707 0.00829 0.13043 0.07107 80 8 H 1S -0.04525 -0.13406 -0.09950 0.01105 -0.03295 81 2S 0.06058 -0.12921 0.02339 -0.07252 -0.17651 82 9 C 1S 0.01494 0.00357 0.01778 -0.01599 0.00404 83 2S 0.27145 0.32008 0.13346 -0.31318 -0.15405 84 2PX 0.02217 0.03450 -0.07138 -0.03344 -0.05166 85 2PY -0.03735 0.14709 0.10690 0.01081 -0.00858 86 2PZ 0.05500 0.06931 -0.01744 -0.03513 -0.07483 87 3S -0.87064 -0.06848 -0.33819 1.37865 0.27098 88 3PX -0.17275 -0.29407 -0.21219 0.07811 0.39900 89 3PY -0.18010 -0.40676 -0.11571 0.43364 0.34134 90 3PZ -0.28381 -0.23833 -0.05249 0.47126 0.22006 91 4XX -0.07190 0.00506 -0.28129 0.07842 0.09097 92 4YY -0.03118 -0.19701 -0.10291 0.01271 -0.01273 93 4ZZ 0.09173 0.16781 0.42933 -0.05152 -0.04912 94 4XY 0.17028 0.08320 0.13939 -0.15367 -0.14713 95 4XZ -0.19339 -0.05487 -0.02396 -0.02641 0.22285 96 4YZ -0.09585 0.03711 -0.00849 0.13038 0.07109 97 10 H 1S 0.04526 -0.13407 -0.09953 -0.01117 0.03295 98 2S -0.06054 -0.12917 0.02315 0.07259 0.17652 99 11 H 1S -0.20469 0.25653 -0.03145 -0.10136 0.07094 100 2S -0.22798 0.13063 0.00959 -0.32826 0.13284 101 12 H 1S 0.20463 0.25653 -0.03164 0.10120 -0.07096 102 2S 0.22796 0.13072 0.00908 0.32822 -0.13300 103 13 C 1S -0.02873 0.01044 -0.00121 -0.03967 -0.00488 104 2S -0.20232 0.03191 -0.03585 -0.26149 0.17705 105 2PX 0.04026 -0.03760 0.00640 0.06892 -0.02006 106 2PY -0.01782 0.02677 -0.00386 0.02152 0.08024 107 2PZ 0.05583 0.02810 -0.00785 0.06289 -0.00307 108 3S 1.56414 -0.13192 0.09348 2.23748 -0.71305 109 3PX -0.03486 -0.09356 0.07270 0.37542 -0.17340 110 3PY 0.42479 -0.03961 -0.02331 0.42907 0.10852 111 3PZ 0.23625 -0.12545 0.01114 0.53006 0.13381 112 4XX -0.11329 0.39881 -0.11419 -0.26722 -0.01952 113 4YY 0.04732 0.01880 -0.00761 0.08581 0.17125 114 4ZZ 0.08159 -0.38802 0.13390 0.18332 -0.23216 115 4XY 0.19811 0.12550 -0.07651 0.24113 0.15640 116 4XZ -0.18554 -0.08544 0.06180 0.08957 0.19384 117 4YZ -0.20772 -0.03079 0.02839 -0.28757 -0.10449 118 14 H 1S -0.06410 0.21026 -0.07515 -0.05450 0.27854 119 2S -0.03953 -0.12933 -0.01694 -0.00634 0.07745 120 15 H 1S -0.21140 -0.23743 0.09595 -0.07630 0.00344 121 2S -0.02523 0.05153 0.00408 -0.05059 0.07177 122 16 C 1S 0.02872 0.01046 -0.00127 0.03966 0.00487 123 2S 0.20227 0.03197 -0.03628 0.26137 -0.17688 124 2PX -0.04024 -0.03762 0.00649 -0.06888 0.02008 125 2PY -0.01779 -0.02674 0.00381 0.02157 0.08016 126 2PZ -0.05580 0.02807 -0.00774 -0.06289 0.00307 127 3S -1.56394 -0.13267 0.09710 -2.23709 0.71314 128 3PX 0.03490 -0.09378 0.07328 -0.37522 0.17359 129 3PY 0.42476 0.03981 0.02254 0.42903 0.10855 130 3PZ -0.23615 -0.12576 0.01202 -0.52999 -0.13386 131 4XX 0.11329 0.39887 -0.11463 0.26694 0.01966 132 4YY -0.04734 0.01874 -0.00745 -0.08583 -0.17154 133 4ZZ -0.08157 -0.38800 0.13418 -0.18300 0.23224 134 4XY 0.19812 -0.12538 0.07603 0.24126 0.15644 135 4XZ 0.18563 -0.08544 0.06192 -0.08938 -0.19386 136 4YZ -0.20759 0.03062 -0.02776 -0.28753 -0.10463 137 17 H 1S 0.06420 0.21020 -0.07515 0.05439 -0.27872 138 2S 0.03951 -0.12937 -0.01698 0.00633 -0.07745 139 18 H 1S 0.21135 -0.23740 0.09578 0.07648 -0.00340 140 2S 0.02521 0.05148 0.00404 0.05056 -0.07166 141 19 O 1S 0.01239 0.00445 -0.00623 -0.00404 -0.01623 142 2S -0.03741 -0.00548 -0.18314 -0.11881 0.13113 143 2PX 0.06424 -0.03376 -0.06764 0.03170 -0.09281 144 2PY 0.05316 0.03864 0.05776 -0.02382 -0.06827 145 2PZ 0.02212 -0.04169 -0.02265 -0.01171 -0.02140 146 3S -0.28082 -0.04585 0.43681 0.47498 0.11596 147 3PX 0.01127 -0.09513 -0.00091 -0.18750 0.12811 148 3PY -0.01964 -0.01289 -0.15671 -0.03107 0.01871 149 3PZ 0.11913 0.05779 -0.08983 -0.06449 -0.08304 150 4XX -0.02306 -0.11842 -0.39494 0.04667 -0.02095 151 4YY 0.06196 -0.00247 -0.03023 -0.08232 -0.00982 152 4ZZ -0.02276 0.12621 0.36590 0.01405 0.00329 153 4XY 0.08470 0.00359 -0.07807 -0.07091 -0.08447 154 4XZ 0.15858 0.00919 0.30366 -0.16300 -0.12814 155 4YZ -0.12169 -0.04278 -0.14720 0.05256 0.12226 156 20 O 1S -0.01239 0.00446 -0.00624 0.00403 0.01622 157 2S 0.03739 -0.00546 -0.18332 0.11853 -0.13118 158 2PX -0.06426 -0.03376 -0.06763 -0.03181 0.09279 159 2PY 0.05316 -0.03866 -0.05771 -0.02389 -0.06829 160 2PZ -0.02211 -0.04169 -0.02269 0.01169 0.02141 161 3S 0.28088 -0.04603 0.43769 -0.47427 -0.11579 162 3PX -0.01122 -0.09510 -0.00120 0.18757 -0.12811 163 3PY -0.01962 0.01288 0.15679 -0.03083 0.01878 164 3PZ -0.11916 0.05782 -0.08994 0.06433 0.08296 165 4XX 0.02296 -0.11844 -0.39488 -0.04736 0.02096 166 4YY -0.06195 -0.00246 -0.03037 0.08227 0.00979 167 4ZZ 0.02283 0.12623 0.36593 -0.01341 -0.00332 168 4XY 0.08473 -0.00361 0.07819 -0.07077 -0.08447 169 4XZ -0.15849 0.00923 0.30337 0.16354 0.12819 170 4YZ -0.12164 0.04279 0.14711 0.05282 0.12220 171 21 C 1S 0.00000 -0.02076 0.00189 0.00001 0.00000 172 2S -0.00001 -0.16607 -0.25814 -0.00016 -0.00003 173 2PX 0.00001 -0.04628 0.09846 0.00008 0.00002 174 2PY -0.01199 -0.00001 0.00000 -0.00287 0.00335 175 2PZ 0.00000 0.00936 0.03888 0.00003 0.00000 176 3S -0.00008 0.59082 0.04516 -0.00009 -0.00003 177 3PX 0.00002 -0.13824 -0.11284 -0.00002 -0.00006 178 3PY 0.02060 -0.00001 -0.00002 0.01962 -0.07511 179 3PZ 0.00001 -0.51440 -0.29756 -0.00020 0.00007 180 4XX -0.00004 0.09857 -0.16285 -0.00017 0.00002 181 4YY 0.00001 0.13468 0.16131 0.00009 0.00000 182 4ZZ 0.00003 -0.25355 0.02395 0.00009 0.00000 183 4XY 0.06889 0.00001 0.00003 -0.02985 -0.01257 184 4XZ 0.00004 0.12411 0.41526 0.00033 0.00000 185 4YZ -0.30613 0.00004 -0.00014 0.18063 0.26786 186 22 H 1S -0.00001 0.17705 -0.00079 -0.00004 -0.00001 187 2S 0.00001 0.09364 0.15833 0.00014 -0.00002 188 23 H 1S 0.00003 -0.03506 0.21433 0.00018 0.00002 189 2S 0.00000 -0.19393 -0.14007 -0.00011 0.00005 156 157 158 159 160 V V V V V Eigenvalues -- 2.31861 2.37240 2.41459 2.44860 2.45989 1 1 C 1S -0.01387 0.00046 -0.02120 0.02173 0.01322 2 2S -0.19083 0.19495 -0.13235 0.14294 0.00296 3 2PX -0.07010 -0.00138 0.01412 -0.00983 0.00461 4 2PY 0.14393 0.04808 -0.14072 0.00513 0.02414 5 2PZ 0.01741 -0.09989 0.10349 -0.01288 0.03383 6 3S 0.37969 -0.42331 0.31408 -0.75880 -0.57072 7 3PX -0.16629 -0.00426 -0.11288 0.10190 0.02943 8 3PY -0.07826 -0.10506 -0.32835 -0.11465 -0.19342 9 3PZ -0.14720 0.45759 -0.21093 0.39475 0.18520 10 4XX -0.03199 0.06883 -0.25881 0.15986 0.10657 11 4YY 0.23284 0.08412 0.17458 0.11142 0.09013 12 4ZZ -0.25355 -0.11746 0.06504 -0.27123 -0.18642 13 4XY -0.19032 -0.00257 0.39759 -0.04981 -0.07074 14 4XZ 0.35940 0.21534 -0.13246 -0.15077 -0.12163 15 4YZ -0.02032 0.24322 -0.27186 -0.06913 -0.05066 16 2 C 1S 0.00689 -0.00115 -0.04136 -0.04632 -0.04082 17 2S 0.03970 -0.08534 -0.23432 -0.11331 -0.13592 18 2PX 0.00231 0.03656 -0.17539 -0.06177 -0.05386 19 2PY -0.02360 -0.01556 0.00075 -0.06380 -0.04922 20 2PZ -0.04310 0.06769 -0.20423 -0.03157 -0.03701 21 3S -0.34469 0.97678 1.35272 1.44872 1.20350 22 3PX 0.18392 -0.13992 -0.40487 -0.23105 -0.07857 23 3PY 0.20162 -0.25265 -0.54518 -0.40141 -0.31097 24 3PZ -0.08024 -0.16984 -0.13635 0.04449 0.04095 25 4XX 0.38352 -0.01980 -0.22997 -0.20329 -0.10573 26 4YY -0.00970 0.27804 -0.03624 0.38118 0.18555 27 4ZZ -0.37494 -0.17810 0.21992 -0.20004 -0.10045 28 4XY -0.31101 0.12086 0.19704 0.27599 0.14392 29 4XZ 0.27655 0.12369 0.06748 0.25994 0.20476 30 4YZ -0.11999 0.24566 0.02865 -0.03959 -0.02796 31 3 C 1S 0.00692 0.00116 0.04137 -0.04633 -0.04080 32 2S 0.04049 0.08534 0.23428 -0.11383 -0.13579 33 2PX 0.00236 -0.03654 0.17541 -0.06176 -0.05380 34 2PY 0.02373 -0.01557 0.00073 0.06368 0.04926 35 2PZ -0.04316 -0.06767 0.20423 -0.03153 -0.03702 36 3S -0.34727 -0.97686 -1.35288 1.44973 1.20312 37 3PX 0.18401 0.14000 0.40495 -0.23097 -0.07851 38 3PY -0.20324 -0.25263 -0.54520 0.40206 0.31070 39 3PZ -0.08002 0.16984 0.13628 0.04463 0.04148 40 4XX 0.38333 0.01993 0.22987 -0.20323 -0.10564 41 4YY -0.00949 -0.27808 0.03621 0.38115 0.18553 42 4ZZ -0.37506 0.17802 -0.21978 -0.19997 -0.10048 43 4XY 0.31082 0.12099 0.19708 -0.27593 -0.14372 44 4XZ 0.27634 -0.12368 -0.06764 0.25995 0.20473 45 4YZ 0.11977 0.24569 0.02854 0.03964 0.02795 46 4 C 1S -0.01388 -0.00046 0.02120 0.02172 0.01322 47 2S -0.19103 -0.19492 0.13242 0.14273 0.00313 48 2PX -0.07006 0.00136 -0.01410 -0.00982 0.00459 49 2PY -0.14396 0.04809 -0.14067 -0.00512 -0.02414 50 2PZ 0.01727 0.09988 -0.10351 -0.01279 0.03377 51 3S 0.38231 0.42332 -0.31398 -0.75903 -0.57094 52 3PX -0.16636 0.00426 0.11293 0.10207 0.02944 53 3PY 0.07941 -0.10511 -0.32845 0.11476 0.19367 54 3PZ -0.14848 -0.45755 0.21092 0.39494 0.18555 55 4XX -0.03202 -0.06883 0.25872 0.15982 0.10664 56 4YY 0.23294 -0.08410 -0.17465 0.11142 0.09015 57 4ZZ -0.25346 0.11742 -0.06487 -0.27119 -0.18657 58 4XY 0.19090 -0.00254 0.39759 0.04991 0.07069 59 4XZ 0.35903 -0.21527 0.13244 -0.15074 -0.12157 60 4YZ 0.01996 0.24318 -0.27185 0.06906 0.05072 61 5 H 1S -0.00754 -0.15588 0.08266 0.16562 0.16412 62 2S 0.03350 0.02837 0.13019 -0.09790 -0.01901 63 6 H 1S -0.00738 0.15585 -0.08271 0.16558 0.16415 64 2S 0.03385 -0.02839 -0.13021 -0.09795 -0.01908 65 7 C 1S 0.00092 -0.00843 0.00473 0.00022 0.01216 66 2S 0.03932 -0.36730 -0.19119 -0.20352 0.12932 67 2PX -0.01671 -0.01829 -0.02789 0.02973 0.03591 68 2PY 0.00410 -0.02380 -0.00946 0.04383 -0.06322 69 2PZ -0.00471 -0.07999 -0.06929 -0.02475 0.00168 70 3S -0.05911 1.19231 0.22169 0.17325 -0.29090 71 3PX 0.05276 0.19470 0.02671 -0.07234 -0.08975 72 3PY -0.00557 -0.59576 -0.14952 -0.01974 0.03937 73 3PZ -0.04699 0.35982 0.08304 0.10421 -0.26560 74 4XX 0.03406 0.12229 0.08448 -0.14941 0.21451 75 4YY 0.02141 0.01838 -0.00076 0.06693 -0.04082 76 4ZZ -0.07684 -0.06577 -0.03479 0.15159 -0.17612 77 4XY 0.03661 0.06415 0.01416 -0.02645 0.02727 78 4XZ -0.00102 0.09712 0.02491 0.08342 -0.13313 79 4YZ -0.02121 0.01506 0.01860 0.00583 -0.03192 80 8 H 1S 0.00804 0.04335 0.02867 -0.08300 0.05807 81 2S -0.01560 0.13928 0.05031 0.05010 -0.09729 82 9 C 1S 0.00091 0.00843 -0.00473 0.00024 0.01217 83 2S 0.03945 0.36729 0.19119 -0.20304 0.12920 84 2PX -0.01666 0.01829 0.02789 0.02978 0.03585 85 2PY -0.00408 -0.02382 -0.00947 -0.04387 0.06311 86 2PZ -0.00462 0.07999 0.06929 -0.02465 0.00166 87 3S -0.05909 -1.19232 -0.22171 0.17150 -0.29142 88 3PX 0.05230 -0.19465 -0.02668 -0.07249 -0.08996 89 3PY 0.00527 -0.59571 -0.14947 0.01906 -0.03996 90 3PZ -0.04714 -0.35981 -0.08304 0.10350 -0.26554 91 4XX 0.03394 -0.12225 -0.08446 -0.14949 0.21455 92 4YY 0.02144 -0.01837 0.00076 0.06690 -0.04097 93 4ZZ -0.07677 0.06570 0.03476 0.15162 -0.17598 94 4XY -0.03645 0.06412 0.01414 0.02651 -0.02762 95 4XZ -0.00132 -0.09712 -0.02490 0.08345 -0.13320 96 4YZ 0.02115 0.01507 0.01861 -0.00584 0.03233 97 10 H 1S 0.00800 -0.04332 -0.02865 -0.08304 0.05792 98 2S -0.01582 -0.13928 -0.05030 0.04990 -0.09741 99 11 H 1S 0.03960 0.18858 0.01148 -0.30295 -0.18044 100 2S -0.08661 -0.06079 -0.08228 0.13071 0.07489 101 12 H 1S 0.03980 -0.18852 -0.01144 -0.30299 -0.18049 102 2S -0.08630 0.06078 0.08225 0.13057 0.07499 103 13 C 1S -0.00990 -0.04396 -0.06537 0.02765 0.01964 104 2S 0.11049 -0.18041 -0.40584 0.12458 0.14301 105 2PX 0.00163 0.00912 0.05075 -0.04282 -0.03775 106 2PY 0.06531 0.06959 0.10562 0.02623 0.04192 107 2PZ 0.01191 0.04647 0.02775 -0.07774 -0.05030 108 3S 0.08966 1.42330 2.42155 -0.74741 -0.58952 109 3PX 0.12473 0.47702 0.45748 -0.37570 -0.28581 110 3PY -0.04171 0.52454 0.55138 0.08875 0.04102 111 3PZ -0.02810 0.39703 0.84782 -0.25901 -0.22578 112 4XX 0.18742 -0.02663 0.01775 0.04463 0.05049 113 4YY -0.19298 0.18650 0.25465 0.11341 0.04799 114 4ZZ -0.03961 -0.19250 -0.30050 -0.14114 -0.10767 115 4XY 0.00172 0.41659 -0.17622 0.07130 0.07420 116 4XZ 0.02175 0.23404 0.40879 -0.33646 -0.26520 117 4YZ 0.13185 0.15107 -0.11116 0.03604 0.03408 118 14 H 1S -0.06003 0.05060 0.15293 0.04292 0.02667 119 2S -0.02002 0.04194 0.03882 0.00950 0.00227 120 15 H 1S -0.03995 -0.10056 -0.04587 -0.08643 -0.07752 121 2S 0.09412 0.14570 -0.05678 -0.04098 -0.01092 122 16 C 1S -0.00988 0.04396 0.06536 0.02765 0.01968 123 2S 0.11087 0.18038 0.40582 0.12452 0.14314 124 2PX 0.00158 -0.00911 -0.05074 -0.04278 -0.03778 125 2PY -0.06540 0.06959 0.10563 -0.02619 -0.04185 126 2PZ 0.01189 -0.04648 -0.02775 -0.07773 -0.05031 127 3S 0.08763 -1.42322 -2.42146 -0.74696 -0.59077 128 3PX 0.12432 -0.47690 -0.45738 -0.37578 -0.28661 129 3PY 0.04180 0.52449 0.55129 -0.08887 -0.04073 130 3PZ -0.02814 -0.39711 -0.84786 -0.25897 -0.22564 131 4XX 0.18753 0.02667 -0.01777 0.04484 0.05126 132 4YY -0.19285 -0.18650 -0.25468 0.11330 0.04778 133 4ZZ -0.03996 0.19246 0.30054 -0.14120 -0.10817 134 4XY -0.00189 0.41661 -0.17624 -0.07141 -0.07453 135 4XZ 0.02199 -0.23404 -0.40874 -0.33657 -0.26535 136 4YZ -0.13189 0.15108 -0.11104 -0.03616 -0.03369 137 17 H 1S -0.05965 -0.05065 -0.15293 0.04287 0.02722 138 2S -0.01990 -0.04193 -0.03882 0.00951 0.00220 139 18 H 1S -0.03994 0.10062 0.04591 -0.08658 -0.07806 140 2S 0.09424 -0.14569 0.05677 -0.04105 -0.01094 141 19 O 1S -0.00186 0.00997 0.00039 -0.00028 -0.00140 142 2S 0.00621 -0.05964 -0.09273 -0.04570 -0.07373 143 2PX -0.00126 0.06187 0.03363 -0.03637 0.04353 144 2PY 0.00538 0.02891 0.01155 0.01816 -0.00052 145 2PZ 0.00469 0.01781 0.01646 0.01280 -0.04427 146 3S 0.01028 -0.20610 0.11754 0.07789 0.24088 147 3PX -0.01090 -0.02378 -0.06054 0.19567 -0.30190 148 3PY -0.00913 0.02845 -0.04084 -0.07134 -0.04061 149 3PZ -0.01458 0.07310 -0.01737 -0.08154 0.13226 150 4XX 0.08092 -0.01584 0.01840 -0.08864 0.09026 151 4YY -0.00842 0.03687 0.02050 -0.00538 0.05415 152 4ZZ -0.08890 0.00532 -0.04706 0.09336 -0.14419 153 4XY 0.02159 0.07593 0.02413 -0.19273 0.25654 154 4XZ -0.04363 0.15700 0.10817 0.00697 0.00238 155 4YZ 0.06595 -0.12431 -0.02265 0.22340 -0.34956 156 20 O 1S -0.00188 -0.00997 -0.00039 -0.00029 -0.00139 157 2S 0.00641 0.05963 0.09275 -0.04568 -0.07381 158 2PX -0.00139 -0.06186 -0.03363 -0.03640 0.04352 159 2PY -0.00530 0.02892 0.01156 -0.01814 0.00046 160 2PZ 0.00466 -0.01780 -0.01645 0.01279 -0.04427 161 3S 0.01032 0.20612 -0.11757 0.07822 0.24097 162 3PX -0.01068 0.02376 0.06052 0.19556 -0.30190 163 3PY 0.00911 0.02843 -0.04086 0.07134 0.04077 164 3PZ -0.01467 -0.07310 0.01737 -0.08160 0.13221 165 4XX 0.08086 0.01589 -0.01838 -0.08860 0.09042 166 4YY -0.00841 -0.03687 -0.02051 -0.00545 0.05416 167 4ZZ -0.08889 -0.00539 0.04704 0.09337 -0.14437 168 4XY -0.02150 0.07591 0.02411 0.19278 -0.25655 169 4XZ -0.04376 -0.15703 -0.10818 0.00681 0.00228 170 4YZ -0.06610 -0.12431 -0.02261 -0.22345 0.34933 171 21 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00766 172 2S 0.01189 0.00002 0.00002 -0.07478 -0.05412 173 2PX -0.00221 0.00000 -0.00001 0.07596 -0.00541 174 2PY 0.00000 -0.00348 -0.03748 -0.00001 0.00001 175 2PZ -0.00923 0.00000 0.00000 0.01256 0.00980 176 3S -0.01684 -0.00004 0.00000 -0.27366 0.26624 177 3PX -0.04747 0.00001 0.00001 -0.04692 0.01674 178 3PY 0.00006 0.00974 -0.00781 -0.00003 -0.00002 179 3PZ 0.09360 0.00004 0.00001 0.08559 -0.16228 180 4XX 0.06689 -0.00001 -0.00002 0.29388 -0.46652 181 4YY -0.00052 0.00000 0.00000 -0.02651 0.07563 182 4ZZ -0.05750 0.00001 0.00002 -0.24244 0.40592 183 4XY 0.00000 0.08094 0.05165 0.00006 0.00009 184 4XZ -0.08189 -0.00001 0.00002 -0.31874 0.50162 185 4YZ -0.00015 -0.23656 -0.05636 -0.00006 -0.00013 186 22 H 1S 0.02417 -0.00001 -0.00002 0.21044 -0.31985 187 2S -0.04651 -0.00001 0.00000 -0.07612 0.17226 188 23 H 1S -0.02863 0.00000 0.00001 -0.16035 0.26489 189 2S 0.06638 0.00001 -0.00001 0.15929 -0.19505 161 162 163 164 165 V V V V V Eigenvalues -- 2.46407 2.48233 2.51089 2.55041 2.59078 1 1 C 1S -0.00593 0.01129 -0.03356 0.00078 0.00613 2 2S -0.26032 0.07277 -0.50540 -0.00707 -0.26921 3 2PX 0.02310 0.02236 0.01189 0.00401 -0.01090 4 2PY -0.00802 0.03012 -0.09938 0.01655 -0.04629 5 2PZ 0.08626 -0.00359 0.19662 -0.02250 0.13513 6 3S 0.18479 -0.25032 -0.15604 0.34801 -0.00045 7 3PX 0.04570 -0.14540 0.34449 -0.04145 0.09642 8 3PY 0.07724 -0.15894 -0.42996 0.09072 -0.02894 9 3PZ -0.23428 0.03390 0.35123 -0.25915 0.00325 10 4XX -0.09203 0.09106 -0.25606 0.02143 0.06744 11 4YY -0.00085 -0.04009 0.15249 -0.02365 0.00976 12 4ZZ 0.15108 -0.04503 0.15467 0.01757 0.00471 13 4XY -0.06415 -0.00810 -0.02021 0.01089 0.00517 14 4XZ -0.02370 -0.05550 0.14269 -0.05770 -0.03975 15 4YZ 0.08449 0.01275 0.04080 0.05352 0.09444 16 2 C 1S -0.02517 -0.01463 -0.05080 0.00062 -0.01786 17 2S -0.37460 -0.05229 -1.36002 0.30842 -0.07732 18 2PX -0.05365 0.00874 -0.04882 -0.04027 -0.01667 19 2PY 0.08969 -0.03670 0.26532 -0.08168 -0.01845 20 2PZ 0.00640 0.03268 -0.05694 -0.01844 0.04302 21 3S 0.92529 0.28811 3.36133 -0.33267 0.42548 22 3PX -0.05894 0.22972 -0.14458 -0.10541 -0.00028 23 3PY -0.57311 0.21209 -1.97280 0.27961 -0.26048 24 3PZ -0.38465 0.01469 0.07920 -0.27467 -0.01274 25 4XX -0.05117 0.00698 0.02781 -0.05668 -0.01806 26 4YY 0.01527 -0.01974 0.02888 0.02553 -0.16651 27 4ZZ 0.06301 0.00054 0.22475 -0.06592 0.19183 28 4XY 0.15014 -0.02477 -0.04526 0.11435 -0.04494 29 4XZ 0.03753 -0.03456 0.07099 0.01856 0.11940 30 4YZ -0.02556 -0.00008 0.02003 0.01538 -0.05946 31 3 C 1S 0.02523 0.01463 0.05077 -0.00061 -0.01787 32 2S 0.37486 0.05224 1.35995 -0.30837 -0.07755 33 2PX 0.05371 -0.00875 0.04875 0.04028 -0.01668 34 2PY 0.08963 -0.03670 0.26537 -0.08170 0.01840 35 2PZ -0.00636 -0.03268 0.05692 0.01841 0.04300 36 3S -0.92705 -0.28799 -3.36040 0.33233 0.42606 37 3PX 0.05911 -0.22971 0.14447 0.10544 -0.00034 38 3PY -0.57348 0.21209 -1.97247 0.27961 0.26085 39 3PZ 0.38472 -0.01470 -0.07920 0.27471 -0.01276 40 4XX 0.05126 -0.00699 -0.02793 0.05669 -0.01805 41 4YY -0.01550 0.01976 -0.02867 -0.02549 -0.16649 42 4ZZ -0.06286 -0.00053 -0.22485 0.06587 0.19184 43 4XY 0.15032 -0.02476 -0.04543 0.11436 0.04496 44 4XZ -0.03786 0.03457 -0.07080 -0.01865 0.11944 45 4YZ -0.02559 -0.00009 0.02002 0.01536 0.05949 46 4 C 1S 0.00591 -0.01129 0.03357 -0.00079 0.00613 47 2S 0.26030 -0.07278 0.50550 0.00704 -0.26932 48 2PX -0.02310 -0.02236 -0.01191 -0.00402 -0.01091 49 2PY -0.00799 0.03012 -0.09937 0.01651 0.04629 50 2PZ -0.08630 0.00360 -0.19663 0.02246 0.13517 51 3S -0.18407 0.25028 0.15563 -0.34789 -0.00051 52 3PX -0.04573 0.14540 -0.34432 0.04143 0.09650 53 3PY 0.07701 -0.15892 -0.42999 0.09073 0.02895 54 3PZ 0.23404 -0.03389 -0.35095 0.25907 0.00329 55 4XX 0.09188 -0.09105 0.25615 -0.02148 0.06743 56 4YY 0.00073 0.04009 -0.15244 0.02367 0.00974 57 4ZZ -0.15083 0.04502 -0.15481 -0.01754 0.00475 58 4XY -0.06425 -0.00811 -0.02015 0.01089 -0.00512 59 4XZ 0.02382 0.05550 -0.14280 0.05769 -0.03971 60 4YZ 0.08441 0.01276 0.04081 0.05357 -0.09444 61 5 H 1S -0.04760 0.08442 -0.14942 -0.00690 -0.03568 62 2S 0.05831 0.05781 -0.00386 0.04981 -0.00684 63 6 H 1S 0.04738 -0.08441 0.14950 0.00691 -0.03570 64 2S -0.05829 -0.05780 0.00377 -0.04980 -0.00685 65 7 C 1S 0.00209 -0.01727 0.04820 0.00496 0.03523 66 2S 0.31565 0.27731 0.86484 -0.23718 0.02484 67 2PX 0.08221 0.05400 0.10801 0.02433 -0.21287 68 2PY -0.04989 -0.15672 0.11595 0.15366 -0.14404 69 2PZ 0.07617 0.03804 0.18668 0.02768 -0.07889 70 3S -0.49773 0.67501 -3.60470 -0.15556 -0.72498 71 3PX 0.00192 0.79761 -0.36867 -0.77043 -0.38393 72 3PY -0.06832 -0.67823 1.45866 0.33674 0.20840 73 3PZ -0.48470 0.09293 -1.56808 -0.42304 -0.54786 74 4XX -0.04130 0.38383 -0.05010 0.24759 -0.08912 75 4YY 0.08110 0.23534 -0.13744 -0.23372 0.08974 76 4ZZ -0.10167 -0.66157 0.03955 0.00346 0.04286 77 4XY -0.24099 -0.17477 -0.00370 0.43039 0.05001 78 4XZ 0.05386 -0.05158 0.13011 -0.07102 -0.38288 79 4YZ 0.27263 -0.03682 -0.05434 -0.38539 0.02212 80 8 H 1S 0.06760 0.22025 -0.12504 -0.21404 0.04134 81 2S -0.04537 0.13815 -0.45795 -0.20332 -0.21077 82 9 C 1S -0.00211 0.01728 -0.04820 -0.00496 0.03523 83 2S -0.31590 -0.27727 -0.86502 0.23716 0.02499 84 2PX -0.08224 -0.05399 -0.10801 -0.02432 -0.21283 85 2PY -0.04998 -0.15671 0.11593 0.15366 0.14401 86 2PZ -0.07617 -0.03803 -0.18671 -0.02768 -0.07884 87 3S 0.49822 -0.67502 3.60472 0.15555 -0.72552 88 3PX -0.00189 -0.79760 0.36855 0.77035 -0.38403 89 3PY -0.06828 -0.67825 1.45871 0.33671 -0.20867 90 3PZ 0.48503 -0.09294 1.56803 0.42294 -0.54814 91 4XX 0.04103 -0.38382 0.05009 -0.24755 -0.08913 92 4YY -0.08102 -0.23535 0.13750 0.23372 0.08971 93 4ZZ 0.10188 0.66156 -0.03953 -0.00350 0.04286 94 4XY -0.24096 -0.17478 -0.00371 0.43038 -0.05004 95 4XZ -0.05371 0.05160 -0.13019 0.07097 -0.38284 96 4YZ 0.27260 -0.03680 -0.05436 -0.38541 -0.02210 97 10 H 1S -0.06770 -0.22026 0.12505 0.21406 0.04130 98 2S 0.04546 -0.13815 0.45792 0.20324 -0.21087 99 11 H 1S 0.03276 0.07608 -0.08008 0.04843 0.08554 100 2S -0.14738 0.08487 -0.41566 0.09953 0.05678 101 12 H 1S -0.03250 -0.07610 0.07991 -0.04842 0.08553 102 2S 0.14730 -0.08489 0.41578 -0.09948 0.05669 103 13 C 1S -0.03943 0.01911 -0.05936 -0.02279 0.01116 104 2S -0.22547 0.12086 -0.62857 -0.30958 0.06249 105 2PX 0.03937 0.02026 0.08237 -0.08455 -0.02799 106 2PY 0.04871 -0.02435 -0.01857 0.03702 0.04631 107 2PZ 0.01627 -0.00565 0.04554 0.00688 -0.02315 108 3S 1.61777 -0.65042 3.58709 0.85260 -0.27527 109 3PX 0.67903 -0.25603 0.36121 0.79622 -0.14059 110 3PY 0.41728 -0.33082 0.95369 0.26343 -0.01713 111 3PZ 0.00564 -0.00477 0.90861 -0.27122 -0.08403 112 4XX -0.49434 0.11718 0.24229 -0.31464 -0.01620 113 4YY 0.14913 -0.08608 0.00045 0.11117 -0.01321 114 4ZZ 0.33140 -0.01939 -0.14428 0.26069 0.04194 115 4XY -0.18551 -0.02841 0.21209 -0.05970 0.06268 116 4XZ 0.11268 -0.01639 -0.02140 0.13504 -0.05710 117 4YZ 0.37733 -0.05288 0.18147 0.13084 0.01920 118 14 H 1S -0.45616 0.09763 -0.08258 -0.31376 0.00655 119 2S 0.06293 -0.04387 0.06267 -0.05509 -0.01005 120 15 H 1S 0.33638 -0.05021 -0.39310 0.27346 -0.02143 121 2S -0.01504 -0.07697 -0.07885 0.18945 -0.00030 122 16 C 1S 0.03940 -0.01910 0.05938 0.02279 0.01115 123 2S 0.22531 -0.12084 0.62870 0.30956 0.06233 124 2PX -0.03930 -0.02026 -0.08241 0.08457 -0.02797 125 2PY 0.04876 -0.02435 -0.01861 0.03704 -0.04633 126 2PZ -0.01620 0.00565 -0.04559 -0.00686 -0.02314 127 3S -1.61687 0.65035 -3.58770 -0.85241 -0.27438 128 3PX -0.67865 0.25599 -0.36142 -0.79617 -0.14048 129 3PY 0.41741 -0.33083 0.95352 0.26353 0.01684 130 3PZ -0.00543 0.00484 -0.90896 0.27115 -0.08389 131 4XX 0.49432 -0.11719 -0.24223 0.31467 -0.01620 132 4YY -0.14913 0.08607 -0.00036 -0.11113 -0.01314 133 4ZZ -0.33138 0.01941 0.14413 -0.26075 0.04190 134 4XY -0.18547 -0.02841 0.21201 -0.05971 -0.06270 135 4XZ -0.11220 0.01636 0.02110 -0.13492 -0.05709 136 4YZ 0.37735 -0.05289 0.18150 0.13082 -0.01925 137 17 H 1S 0.45614 -0.09762 0.08265 0.31375 0.00652 138 2S -0.06297 0.04390 -0.06269 0.05506 -0.01006 139 18 H 1S -0.33631 0.05021 0.39302 -0.27346 -0.02148 140 2S 0.01504 0.07696 0.07885 -0.18945 -0.00032 141 19 O 1S -0.00431 0.00645 -0.00307 0.00865 -0.05992 142 2S 0.05257 0.12609 -0.01323 -0.09592 -0.88797 143 2PX -0.00549 0.01810 -0.02180 0.00403 -0.02162 144 2PY -0.04878 -0.04543 -0.02109 0.04002 0.08840 145 2PZ -0.00585 -0.07363 -0.00272 0.02447 -0.01892 146 3S 0.14226 -0.46350 0.69206 0.28329 2.91873 147 3PX -0.07731 -0.06010 -0.31773 -0.14796 -0.12655 148 3PY 0.11268 0.20596 0.01302 -0.04848 -1.22959 149 3PZ 0.02308 0.34440 -0.10250 -0.12661 -0.15617 150 4XX -0.08691 0.43084 0.12629 0.24995 -0.20939 151 4YY -0.04338 -0.03485 -0.15328 -0.01667 0.38890 152 4ZZ 0.11153 -0.32999 -0.01633 -0.21013 -0.45722 153 4XY -0.01634 -0.01557 -0.06778 0.04715 -0.07631 154 4XZ -0.03099 -0.14803 -0.32947 -0.17598 0.29703 155 4YZ -0.16163 -0.30280 0.06300 0.16868 0.11684 156 20 O 1S 0.00431 -0.00645 0.00306 -0.00866 -0.05992 157 2S -0.05250 -0.12608 0.01306 0.09586 -0.88795 158 2PX 0.00543 -0.01810 0.02180 -0.00402 -0.02162 159 2PY -0.04878 -0.04543 -0.02110 0.04002 -0.08840 160 2PZ 0.00590 0.07362 0.00272 -0.02447 -0.01892 161 3S -0.14246 0.46351 -0.69151 -0.28305 2.91876 162 3PX 0.07772 0.06009 0.31774 0.14792 -0.12660 163 3PY 0.11268 0.20596 0.01325 -0.04837 1.22957 164 3PZ -0.02325 -0.34438 0.10248 0.12662 -0.15617 165 4XX 0.08680 -0.43082 -0.12635 -0.24999 -0.20936 166 4YY 0.04333 0.03485 0.15338 0.01675 0.38888 167 4ZZ -0.11139 0.32997 0.01624 0.21006 -0.45723 168 4XY -0.01600 -0.01559 -0.06775 0.04712 0.07630 169 4XZ 0.03099 0.14802 0.32953 0.17600 0.29694 170 4YZ -0.16209 -0.30278 0.06300 0.16872 -0.11685 171 21 C 1S 0.00001 0.00000 0.00001 0.00000 0.06994 172 2S 0.00003 0.00001 -0.00007 -0.00004 -0.52141 173 2PX 0.00001 0.00000 0.00007 0.00003 0.55427 174 2PY 0.03669 -0.03960 0.07816 0.03368 -0.00001 175 2PZ 0.00000 0.00000 0.00003 0.00001 0.23189 176 3S -0.00023 -0.00002 -0.00020 -0.00004 -2.02852 177 3PX 0.00000 0.00001 0.00007 0.00004 0.79006 178 3PY 0.01464 -0.01461 0.18200 0.15528 -0.00005 179 3PZ 0.00011 0.00000 0.00001 -0.00002 0.12671 180 4XX 0.00031 0.00000 -0.00005 -0.00006 -0.23328 181 4YY -0.00006 0.00000 0.00000 0.00002 0.04857 182 4ZZ -0.00026 0.00000 0.00007 0.00004 0.36108 183 4XY 0.08026 0.03111 -0.23875 -0.26936 0.00006 184 4XZ -0.00034 0.00000 -0.00004 0.00000 -0.43935 185 4YZ -0.14741 -0.03213 0.17257 0.22913 -0.00001 186 22 H 1S 0.00021 0.00000 -0.00001 -0.00002 0.09863 187 2S -0.00011 0.00000 0.00003 0.00002 0.16894 188 23 H 1S -0.00018 0.00000 0.00000 0.00001 -0.05126 189 2S 0.00014 0.00000 0.00001 -0.00002 0.09246 166 167 168 169 170 V V V V V Eigenvalues -- 2.63366 2.64875 2.67413 2.69191 2.70151 1 1 C 1S 0.03414 -0.09824 -0.01673 -0.02484 0.03179 2 2S 0.01175 -0.30061 -0.03265 0.09099 -0.02873 3 2PX 0.05895 -0.02227 -0.02892 -0.07516 0.00743 4 2PY -0.28023 -0.22314 0.07156 0.04760 0.26004 5 2PZ 0.31079 -0.14283 -0.04406 -0.24031 -0.02425 6 3S -0.97689 5.02786 0.68577 1.02047 -0.62003 7 3PX 0.11731 -0.58148 -0.31123 -0.10560 -0.14319 8 3PY -0.03700 -1.51047 0.19787 0.40675 0.46481 9 3PZ 0.54172 -1.79932 -0.53081 -0.46961 -0.13013 10 4XX 0.27185 -0.60344 -0.01107 -0.11511 0.16668 11 4YY -0.12336 0.52891 -0.12871 -0.21168 -0.48018 12 4ZZ -0.17619 0.09114 0.07283 0.44485 0.32369 13 4XY 0.06326 0.11783 -0.26700 -0.07465 0.30684 14 4XZ 0.01300 0.27537 0.31299 0.26509 -0.09538 15 4YZ 0.38479 0.21207 -0.24044 -0.16963 0.00800 16 2 C 1S -0.05412 0.05195 0.02387 0.00078 0.03842 17 2S 0.04568 0.62911 0.08547 -0.04813 0.13403 18 2PX 0.00930 -0.04060 -0.03462 -0.13809 0.04853 19 2PY -0.15267 -0.03794 0.05987 0.07917 0.04819 20 2PZ 0.18912 -0.17893 -0.15338 -0.29817 0.10057 21 3S 1.38298 -3.38493 -1.14319 -0.30686 -0.96934 22 3PX -0.05252 0.08679 0.27431 -0.47252 0.25839 23 3PY -0.60142 1.77714 0.46326 0.09664 0.30509 24 3PZ 0.30093 -0.49050 -0.16056 -0.94186 0.14659 25 4XX -0.18383 0.23224 0.17977 0.30626 -0.17236 26 4YY -0.40606 -0.20135 -0.06964 -0.24823 0.04797 27 4ZZ 0.51744 -0.11920 -0.19351 -0.12383 0.13611 28 4XY -0.06496 -0.01229 -0.20361 0.24696 -0.02778 29 4XZ 0.49743 -0.14840 0.13593 0.23642 -0.36041 30 4YZ -0.21668 0.23654 0.02128 0.64359 -0.00372 31 3 C 1S -0.05413 -0.05193 -0.02389 0.00079 -0.03842 32 2S 0.04554 -0.62907 -0.08548 -0.04809 -0.13403 33 2PX 0.00929 0.04060 0.03454 -0.13813 -0.04852 34 2PY 0.15265 -0.03796 0.05987 -0.07922 0.04818 35 2PZ 0.18910 0.17889 0.15324 -0.29828 -0.10056 36 3S 1.38339 3.38450 1.14342 -0.30747 0.96934 37 3PX -0.05250 -0.08687 -0.27468 -0.47242 -0.25842 38 3PY 0.60167 1.77694 0.46336 -0.09695 0.30511 39 3PZ 0.30097 0.49040 0.16009 -0.94198 -0.14646 40 4XX -0.18377 -0.23218 -0.17964 0.30645 0.17239 41 4YY -0.40604 0.20139 0.06929 -0.24833 -0.04792 42 4ZZ 0.51736 0.11910 0.19364 -0.12396 -0.13617 43 4XY 0.06508 -0.01231 -0.20378 -0.24681 -0.02776 44 4XZ 0.49757 0.14829 -0.13560 0.23658 0.36037 45 4YZ 0.21678 0.23651 0.02094 -0.64360 -0.00364 46 4 C 1S 0.03415 0.09823 0.01673 -0.02485 -0.03179 47 2S 0.01183 0.30060 0.03265 0.09100 0.02874 48 2PX 0.05893 0.02229 0.02890 -0.07518 -0.00745 49 2PY 0.28021 -0.22319 0.07162 -0.04764 0.26003 50 2PZ 0.31079 0.14278 0.04403 -0.24034 0.02423 51 3S -0.97771 -5.02761 -0.68542 1.02094 0.61992 52 3PX 0.11733 0.58157 0.31118 -0.10577 0.14317 53 3PY 0.03670 -1.51035 0.19769 -0.40688 0.46486 54 3PZ 0.54197 1.79922 0.53063 -0.46991 0.13016 55 4XX 0.27197 0.60337 0.01111 -0.11515 -0.16673 56 4YY -0.12349 -0.52887 0.12848 -0.21169 0.48026 57 4ZZ -0.17622 -0.09110 -0.07256 0.44485 -0.32373 58 4XY -0.06307 0.11794 -0.26700 0.07484 0.30677 59 4XZ 0.01312 -0.27538 -0.31280 0.26529 0.09533 60 4YZ -0.38468 0.21213 -0.24049 0.16985 0.00799 61 5 H 1S -0.10220 -0.23668 0.04222 -0.12054 -0.05006 62 2S -0.06374 0.54341 0.05481 0.11277 0.04453 63 6 H 1S -0.10214 0.23669 -0.04232 -0.12051 0.05008 64 2S -0.06384 -0.54338 -0.05474 0.11280 -0.04455 65 7 C 1S -0.00057 -0.02801 -0.03238 -0.00365 -0.03664 66 2S -0.09769 -0.06953 0.02611 0.00388 -0.13761 67 2PX 0.07306 -0.06514 0.05221 0.04970 -0.04107 68 2PY 0.01540 -0.16757 -0.13825 0.02818 -0.24576 69 2PZ -0.02380 -0.00983 0.04917 0.04008 -0.03655 70 3S 0.17669 0.88785 1.13244 0.11479 1.35648 71 3PX 0.05857 -0.31581 0.02485 0.06619 -0.21492 72 3PY -0.01170 -0.39849 -0.47806 0.00572 -0.74074 73 3PZ 0.14028 -0.01795 0.06073 0.04138 0.13385 74 4XX 0.00113 -0.15802 -0.14296 0.01822 -0.28345 75 4YY 0.00512 0.30340 0.26166 -0.00735 0.47782 76 4ZZ 0.04351 -0.14349 -0.14218 0.01146 -0.14486 77 4XY -0.04981 -0.00764 0.01441 0.04382 0.04212 78 4XZ 0.12475 -0.13193 0.07358 0.05756 -0.03475 79 4YZ -0.03505 -0.07096 -0.13437 0.03430 -0.16966 80 8 H 1S -0.07155 -0.06440 -0.11104 0.00692 -0.13247 81 2S 0.09423 -0.03089 0.02661 -0.02256 0.14490 82 9 C 1S -0.00057 0.02800 0.03238 -0.00367 0.03664 83 2S -0.09767 0.06955 -0.02614 0.00388 0.13758 84 2PX 0.07306 0.06513 -0.05219 0.04976 0.04108 85 2PY -0.01535 -0.16757 -0.13826 -0.02809 -0.24577 86 2PZ -0.02381 0.00983 -0.04917 0.04012 0.03656 87 3S 0.17685 -0.88784 -1.13237 0.11579 -1.35640 88 3PX 0.05872 0.31582 -0.02483 0.06627 0.21489 89 3PY 0.01181 -0.39850 -0.47808 -0.00530 -0.74077 90 3PZ 0.14037 0.01797 -0.06070 0.04150 -0.13385 91 4XX 0.00107 0.15802 0.14296 0.01813 0.28346 92 4YY 0.00521 -0.30342 -0.26166 -0.00718 -0.47782 93 4ZZ 0.04349 0.14349 0.14220 0.01137 0.14486 94 4XY 0.04987 -0.00764 0.01439 -0.04384 0.04210 95 4XZ 0.12477 0.13193 -0.07355 0.05765 0.03475 96 4YZ 0.03504 -0.07096 -0.13437 -0.03419 -0.16966 97 10 H 1S -0.07154 0.06440 0.11103 0.00684 0.13246 98 2S 0.09428 0.03090 -0.02661 -0.02251 -0.14492 99 11 H 1S 0.21214 -0.07819 -0.05445 0.12659 0.00994 100 2S 0.01094 0.32948 0.18025 -0.07059 0.05784 101 12 H 1S 0.21212 0.07817 0.05461 0.12656 -0.00996 102 2S 0.01092 -0.32953 -0.18031 -0.07049 -0.05781 103 13 C 1S 0.02390 0.03326 -0.04115 0.03998 0.00895 104 2S -0.03250 0.11054 0.09422 -0.08824 -0.10493 105 2PX -0.09885 -0.07555 -0.02232 -0.13931 -0.11310 106 2PY 0.10495 -0.03636 0.20044 0.05911 0.08076 107 2PZ -0.10331 -0.06902 -0.00124 -0.13512 -0.07844 108 3S -0.42217 -1.90140 0.33772 -0.74447 -0.19144 109 3PX -0.21706 -0.22253 -0.09230 -0.26657 -0.00237 110 3PY -0.01078 -0.55290 0.58817 0.23374 0.51682 111 3PZ -0.14163 -0.36543 -0.32605 -0.26546 -0.41875 112 4XX -0.03602 -0.00316 -0.40777 -0.05001 -0.02416 113 4YY -0.03379 -0.12029 0.64057 0.13731 0.21810 114 4ZZ 0.14052 0.16691 -0.38155 -0.00624 -0.12908 115 4XY 0.17693 -0.07107 -0.09525 0.16368 0.20606 116 4XZ -0.16104 0.00154 -0.01990 -0.31310 -0.22963 117 4YZ 0.12558 -0.05691 -0.16661 0.19248 0.27277 118 14 H 1S -0.06016 0.00900 0.10627 -0.05587 -0.09909 119 2S 0.05516 0.06568 -0.07644 -0.01117 0.02802 120 15 H 1S -0.04856 0.11854 0.13747 -0.01480 -0.01272 121 2S -0.02618 0.00985 -0.01618 0.00723 0.16677 122 16 C 1S 0.02389 -0.03326 0.04118 0.03995 -0.00895 123 2S -0.03241 -0.11055 -0.09431 -0.08821 0.10492 124 2PX -0.09881 0.07557 0.02219 -0.13930 0.11310 125 2PY -0.10501 -0.03632 0.20037 -0.05924 0.08077 126 2PZ -0.10329 0.06905 0.00110 -0.13513 0.07845 127 3S -0.42194 1.90158 -0.33833 -0.74408 0.19152 128 3PX -0.21715 0.22257 0.09207 -0.26656 0.00237 129 3PY 0.01062 -0.55286 0.58805 -0.23415 0.51689 130 3PZ -0.14158 0.36559 0.32577 -0.26559 0.41871 131 4XX -0.03602 0.00314 0.40772 -0.05017 0.02414 132 4YY -0.03365 0.12027 -0.64052 0.13767 -0.21805 133 4ZZ 0.14031 -0.16689 0.38163 -0.00653 0.12905 134 4XY -0.17687 -0.07103 -0.09541 -0.16363 0.20607 135 4XZ -0.16104 -0.00148 0.01967 -0.31306 0.22962 136 4YZ -0.12552 -0.05694 -0.16665 -0.19238 0.27283 137 17 H 1S -0.06006 -0.00901 -0.10633 -0.05578 0.09909 138 2S 0.05515 -0.06567 0.07645 -0.01120 -0.02803 139 18 H 1S -0.04858 -0.11853 -0.13750 -0.01473 0.01272 140 2S -0.02624 -0.00985 0.01619 0.00721 -0.16677 141 19 O 1S 0.01344 -0.02873 -0.00077 0.00858 -0.01841 142 2S 0.22254 -0.12048 0.13253 0.02264 -0.17868 143 2PX 0.00284 -0.04677 -0.03850 0.01591 -0.03129 144 2PY -0.02112 -0.02674 -0.01906 -0.00300 -0.01287 145 2PZ -0.00241 0.00459 -0.01576 0.00281 -0.01093 146 3S -0.73507 0.60921 -0.29405 -0.16269 0.56029 147 3PX 0.03778 0.14283 0.14033 0.05250 0.18029 148 3PY 0.31320 -0.21041 0.11298 0.03573 -0.24510 149 3PZ 0.03277 -0.08068 0.06901 0.06904 -0.02526 150 4XX 0.07716 -0.03771 -0.00156 -0.03443 -0.04861 151 4YY -0.15849 0.09912 -0.00942 0.07959 0.15068 152 4ZZ 0.14244 -0.17449 0.00743 -0.00107 -0.11926 153 4XY 0.00327 -0.10307 -0.03279 -0.04739 -0.12659 154 4XZ -0.02795 0.10525 -0.07226 -0.08314 0.09631 155 4YZ -0.02020 0.05597 0.00448 -0.02040 0.04127 156 20 O 1S 0.01344 0.02873 0.00078 0.00859 0.01842 157 2S 0.22256 0.12052 -0.13251 0.02278 0.17868 158 2PX 0.00283 0.04676 0.03851 0.01589 0.03128 159 2PY 0.02112 -0.02674 -0.01905 0.00302 -0.01288 160 2PZ -0.00242 -0.00459 0.01575 0.00280 0.01092 161 3S -0.73513 -0.60932 0.29395 -0.16308 -0.56031 162 3PX 0.03783 -0.14281 -0.14032 0.05260 -0.18027 163 3PY -0.31320 -0.21044 0.11294 -0.03588 -0.24509 164 3PZ 0.03280 0.08067 -0.06896 0.06911 0.02529 165 4XX 0.07713 0.03772 0.00158 -0.03442 0.04859 166 4YY -0.15848 -0.09914 0.00943 0.07957 -0.15066 167 4ZZ 0.14247 0.17449 -0.00742 -0.00104 0.11926 168 4XY -0.00325 -0.10307 -0.03276 0.04741 -0.12659 169 4XZ -0.02793 -0.10524 0.07223 -0.08322 -0.09633 170 4YZ 0.02022 0.05597 0.00450 0.02039 0.04127 171 21 C 1S -0.01815 0.00000 0.00000 0.00097 0.00000 172 2S 0.09366 0.00000 0.00000 0.00620 0.00001 173 2PX -0.13577 -0.00001 0.00000 0.00718 0.00000 174 2PY 0.00001 -0.20438 0.03166 -0.00003 -0.25246 175 2PZ -0.06348 -0.00001 0.00000 0.00814 0.00000 176 3S 0.55711 0.00004 0.00002 0.01185 -0.00002 177 3PX -0.27129 -0.00004 0.00001 0.04998 0.00001 178 3PY 0.00002 -0.27739 -0.03402 -0.00001 -0.31163 179 3PZ -0.05907 0.00001 -0.00001 -0.00060 -0.00001 180 4XX 0.13477 0.00001 0.00000 -0.04555 -0.00001 181 4YY -0.07094 -0.00001 -0.00001 0.02722 0.00000 182 4ZZ -0.08713 0.00001 0.00000 -0.00995 0.00001 183 4XY -0.00003 0.24093 -0.02567 0.00003 0.30107 184 4XZ 0.13242 0.00002 0.00000 -0.02869 0.00000 185 4YZ 0.00001 0.18620 0.04127 -0.00001 0.17883 186 22 H 1S -0.02428 -0.00002 0.00000 0.00772 0.00000 187 2S -0.03194 0.00000 0.00000 -0.01807 0.00001 188 23 H 1S -0.00397 0.00000 0.00000 0.00060 0.00000 189 2S 0.00094 0.00001 -0.00001 -0.03054 0.00000 171 172 173 174 175 V V V V V Eigenvalues -- 2.75476 2.76760 2.80346 2.88868 2.89674 1 1 C 1S 0.04009 -0.00682 -0.00407 0.00282 -0.00578 2 2S 0.23159 -0.07701 -0.23610 -0.02883 0.00807 3 2PX 0.01061 -0.01544 -0.00219 0.01024 0.00754 4 2PY -0.10306 0.04747 0.00633 -0.06861 0.00460 5 2PZ 0.13180 -0.04097 0.08864 0.06095 -0.01935 6 3S -2.98617 0.29122 -0.54934 -0.35839 0.15317 7 3PX 0.51839 -0.01626 0.20613 0.09566 -0.01430 8 3PY 0.56407 0.02856 -0.05729 -0.11434 0.07308 9 3PZ 1.49704 -0.16225 0.28942 0.30979 -0.06323 10 4XX 0.19137 -0.03657 0.04934 0.01633 -0.01638 11 4YY 0.14189 0.00678 -0.04348 0.10195 -0.02379 12 4ZZ -0.31693 0.07773 0.04160 -0.10143 0.03013 13 4XY -0.17775 -0.01887 -0.14245 -0.00254 -0.00838 14 4XZ -0.08875 0.00777 0.02214 -0.02962 -0.00267 15 4YZ -0.04735 -0.05937 -0.03038 0.04497 -0.02830 16 2 C 1S -0.06144 -0.00200 -0.03632 -0.00856 -0.00696 17 2S -0.71502 -0.02019 -0.69345 -0.23845 -0.03846 18 2PX -0.09116 -0.01406 -0.01622 0.00756 -0.00014 19 2PY -0.00834 0.02063 0.09559 0.01193 0.01433 20 2PZ 0.07776 -0.05717 -0.03390 0.06630 -0.02096 21 3S 3.71283 -0.05153 1.82167 0.73248 0.16714 22 3PX -0.30037 -0.05143 0.25785 0.09321 -0.08919 23 3PY -1.68710 0.05996 -0.93194 -0.35432 -0.08087 24 3PZ 0.04737 -0.21163 0.13372 0.13927 -0.23533 25 4XX -0.04673 0.05619 0.13146 0.00857 0.02636 26 4YY 0.18334 -0.01411 0.00448 0.03833 -0.02700 27 4ZZ 0.07065 -0.06619 0.01640 0.06541 -0.01405 28 4XY 0.15332 0.04118 -0.13479 -0.04451 0.03974 29 4XZ 0.37448 -0.02758 0.04922 0.01287 0.01006 30 4YZ -0.12636 0.08844 -0.02991 -0.09294 0.06214 31 3 C 1S 0.06144 -0.00200 0.03632 0.00856 -0.00697 32 2S 0.71505 -0.02015 0.69348 0.23839 -0.03865 33 2PX 0.09117 -0.01405 0.01621 -0.00756 -0.00011 34 2PY -0.00832 -0.02065 0.09560 0.01191 -0.01433 35 2PZ -0.07775 -0.05720 0.03392 -0.06633 -0.02084 36 3S -3.71271 -0.05194 -1.82168 -0.73223 0.16783 37 3PX 0.30049 -0.05137 -0.25782 -0.09331 -0.08906 38 3PY -1.68696 -0.06015 -0.93193 -0.35422 0.08119 39 3PZ -0.04728 -0.21164 -0.13362 -0.13956 -0.23507 40 4XX 0.04666 0.05624 -0.13149 -0.00854 0.02636 41 4YY -0.18335 -0.01415 -0.00449 -0.03836 -0.02697 42 4ZZ -0.07057 -0.06621 -0.01636 -0.06542 -0.01396 43 4XY 0.15334 -0.04114 -0.13479 -0.04456 -0.03967 44 4XZ -0.37440 -0.02760 -0.04919 -0.01284 0.01007 45 4YZ -0.12638 -0.08845 -0.02987 -0.09301 -0.06196 46 4 C 1S -0.04009 -0.00683 0.00407 -0.00283 -0.00578 47 2S -0.23154 -0.07708 0.23607 0.02884 0.00806 48 2PX -0.01061 -0.01544 0.00218 -0.01022 0.00756 49 2PY -0.10302 -0.04746 0.00634 -0.06861 -0.00447 50 2PZ -0.13178 -0.04098 -0.08861 -0.06096 -0.01927 51 3S 2.98602 0.29180 0.54929 0.35856 0.15284 52 3PX -0.51842 -0.01631 -0.20610 -0.09566 -0.01420 53 3PY 0.56394 -0.02841 -0.05730 -0.11445 -0.07282 54 3PZ -1.49695 -0.16249 -0.28938 -0.30986 -0.06283 55 4XX -0.19132 -0.03662 -0.04931 -0.01635 -0.01637 56 4YY -0.14195 0.00681 0.04347 -0.10198 -0.02359 57 4ZZ 0.31690 0.07776 -0.04162 0.10146 0.02993 58 4XY -0.17776 0.01888 -0.14246 -0.00252 0.00836 59 4XZ 0.08878 0.00779 -0.02215 0.02961 -0.00273 60 4YZ -0.04737 0.05937 -0.03041 0.04502 0.02821 61 5 H 1S 0.10430 0.00500 0.00492 0.00118 -0.00085 62 2S -0.36894 0.02755 -0.07091 -0.05302 0.00968 63 6 H 1S -0.10432 0.00499 -0.00492 -0.00118 -0.00084 64 2S 0.36891 0.02760 0.07089 0.05303 0.00962 65 7 C 1S -0.01735 0.02570 0.10054 0.00376 0.02890 66 2S 0.00445 -0.06337 0.63348 0.20412 -0.20222 67 2PX 0.02893 -0.22952 -0.24531 -0.13298 -0.32584 68 2PY -0.27660 -0.17644 0.24857 -0.23402 -0.09456 69 2PZ -0.02599 -0.18637 -0.01822 -0.07578 -0.23181 70 3S 0.62538 -0.64760 -5.69007 -0.65343 -0.96138 71 3PX -0.14726 -0.23317 -0.84043 -0.12331 -0.41092 72 3PY -0.65936 -0.15171 2.19815 0.18064 -0.30226 73 3PZ -0.16925 -0.24486 -1.97491 -0.39375 -0.33826 74 4XX -0.38250 0.02188 0.14749 -0.16424 -0.23933 75 4YY 0.60738 -0.04201 -0.44191 0.44594 0.21174 76 4ZZ -0.10278 0.01674 0.14847 -0.30437 -0.04850 77 4XY 0.04846 -0.21669 0.03094 0.44353 -0.14591 78 4XZ 0.09806 -0.22494 -0.35906 -0.19062 -0.38397 79 4YZ -0.21455 -0.23320 0.20346 0.54159 -0.09579 80 8 H 1S -0.19030 -0.04267 0.15237 0.32097 0.04684 81 2S 0.17936 0.04747 -0.67144 -0.26509 0.01383 82 9 C 1S 0.01735 0.02572 -0.10055 -0.00372 0.02889 83 2S -0.00451 -0.06327 -0.63354 -0.20439 -0.20201 84 2PX -0.02889 -0.22955 0.24533 0.13255 -0.32600 85 2PY -0.27664 0.17639 0.24858 -0.23389 0.09489 86 2PZ 0.02601 -0.18635 0.01821 0.07548 -0.23190 87 3S -0.62522 -0.64824 5.69021 0.65220 -0.96173 88 3PX 0.14726 -0.23321 0.84049 0.12277 -0.41104 89 3PY -0.65936 0.15140 2.19816 0.18102 0.30223 90 3PZ 0.16931 -0.24503 1.97494 0.39330 -0.33860 91 4XX 0.38251 0.02192 -0.14743 0.16394 -0.23957 92 4YY -0.60736 -0.04211 0.44189 -0.44567 0.21237 93 4ZZ 0.10278 0.01677 -0.14848 0.30429 -0.04888 94 4XY 0.04842 0.21670 0.03098 0.44371 0.14536 95 4XZ -0.09801 -0.22500 0.35908 0.19011 -0.38419 96 4YZ -0.21457 0.23310 0.20346 0.54172 0.09513 97 10 H 1S 0.19030 -0.04261 -0.15238 -0.32090 0.04724 98 2S -0.17936 0.04736 0.67144 0.26509 0.01354 99 11 H 1S 0.12092 -0.01522 -0.00922 0.01746 0.00368 100 2S -0.40318 -0.00157 -0.13130 -0.08971 0.03050 101 12 H 1S -0.12090 -0.01524 0.00922 -0.01746 0.00370 102 2S 0.40320 -0.00153 0.13131 0.08976 0.03041 103 13 C 1S -0.04108 0.00380 -0.02652 -0.00786 0.00899 104 2S -0.30571 0.06477 -0.18180 -0.03286 0.08222 105 2PX 0.09187 0.00981 0.04025 0.02266 0.00197 106 2PY -0.10025 0.00971 0.03299 0.01454 0.02568 107 2PZ 0.12910 -0.00321 0.02935 0.00377 -0.01685 108 3S 2.31000 -0.15607 1.41851 0.41458 -0.29727 109 3PX 0.86225 -0.11190 0.16073 -0.05303 -0.17920 110 3PY 0.06833 0.03089 0.48413 0.12859 0.02539 111 3PZ 0.59054 -0.04370 0.19845 0.06221 -0.06539 112 4XX 0.10764 -0.00543 -0.06037 -0.00160 -0.02325 113 4YY -0.28582 0.01126 0.13276 0.03259 0.01674 114 4ZZ 0.18438 -0.03000 -0.05839 -0.04679 -0.00438 115 4XY -0.05986 0.02088 -0.00152 0.00808 0.02345 116 4XZ 0.23446 -0.03201 -0.01068 -0.03183 -0.03960 117 4YZ -0.06912 0.00252 0.01761 0.01266 0.00449 118 14 H 1S -0.15923 0.03399 -0.04611 0.00626 0.03492 119 2S -0.02308 -0.04113 -0.01941 -0.03655 -0.02675 120 15 H 1S -0.04775 -0.00820 -0.04934 -0.04263 -0.00119 121 2S 0.04720 -0.02367 -0.06046 -0.05317 -0.03991 122 16 C 1S 0.04108 0.00380 0.02652 0.00787 0.00898 123 2S 0.30567 0.06480 0.18182 0.03298 0.08221 124 2PX -0.09188 0.00981 -0.04024 -0.02266 0.00199 125 2PY -0.10027 -0.00973 0.03298 0.01451 -0.02571 126 2PZ -0.12911 -0.00322 -0.02935 -0.00379 -0.01685 127 3S -2.31001 -0.15625 -1.41850 -0.41499 -0.29697 128 3PX -0.86220 -0.11205 -0.16070 0.05280 -0.17939 129 3PY 0.06829 -0.03091 0.48412 0.12855 -0.02554 130 3PZ -0.59066 -0.04378 -0.19853 -0.06232 -0.06539 131 4XX -0.10759 -0.00545 0.06037 0.00156 -0.02326 132 4YY 0.28582 0.01133 -0.13277 -0.03257 0.01681 133 4ZZ -0.18441 -0.03004 0.05837 0.04678 -0.00446 134 4XY -0.05990 -0.02088 -0.00153 0.00805 -0.02347 135 4XZ -0.23447 -0.03203 0.01068 0.03176 -0.03966 136 4YZ -0.06921 -0.00251 0.01765 0.01267 -0.00451 137 17 H 1S 0.15922 0.03403 0.04612 -0.00621 0.03495 138 2S 0.02305 -0.04116 0.01940 0.03652 -0.02682 139 18 H 1S 0.04774 -0.00820 0.04933 0.04263 -0.00124 140 2S -0.04719 -0.02371 0.06047 0.05311 -0.04000 141 19 O 1S -0.01466 -0.04985 -0.04007 0.02617 0.00108 142 2S -0.26061 -0.36218 -0.94373 -0.06564 -0.02145 143 2PX -0.01767 0.00625 0.05331 0.03051 0.04151 144 2PY -0.02370 -0.07158 0.04092 0.03657 -0.04498 145 2PZ -0.01769 -0.00743 0.00702 0.02101 0.02910 146 3S 0.82340 1.47212 3.20315 -0.03557 0.05351 147 3PX 0.14446 -0.21235 -0.49525 -0.33439 -1.16807 148 3PY -0.28275 -0.22308 -1.09309 -0.06594 0.40318 149 3PZ 0.00202 -0.21683 -0.27001 -0.14440 -0.74047 150 4XX -0.04778 0.43929 0.08282 0.00750 0.12995 151 4YY 0.17863 -0.49112 0.28932 0.16254 -0.29262 152 4ZZ -0.09560 -0.15907 -0.39870 0.01220 0.23142 153 4XY -0.21363 -0.17148 -0.17578 0.45761 0.72844 154 4XZ 0.04516 0.50868 0.22184 -0.15585 0.27770 155 4YZ 0.02071 -0.04617 -0.02972 0.26840 0.42490 156 20 O 1S 0.01466 -0.04985 0.04006 -0.02617 0.00111 157 2S 0.26068 -0.36225 0.94372 0.06559 -0.02143 158 2PX 0.01767 0.00627 -0.05332 -0.03046 0.04154 159 2PY -0.02371 0.07158 0.04092 0.03663 0.04493 160 2PZ 0.01769 -0.00742 -0.00702 -0.02097 0.02913 161 3S -0.82365 1.47239 -3.20307 0.03572 0.05309 162 3PX -0.14441 -0.21236 0.49537 0.33287 -1.16854 163 3PY -0.28282 0.22319 -1.09306 -0.06644 -0.40325 164 3PZ -0.00198 -0.21682 0.27006 0.14344 -0.74066 165 4XX 0.04774 0.43931 -0.08278 -0.00732 0.12997 166 4YY -0.17859 -0.49110 -0.28937 -0.16291 -0.29248 167 4ZZ 0.09563 -0.15912 0.39867 -0.01192 0.23148 168 4XY -0.21364 0.17150 -0.17568 0.45667 -0.72908 169 4XZ -0.04523 0.50870 -0.22181 0.15623 0.27748 170 4YZ 0.02070 0.04619 -0.02967 0.26784 -0.42526 171 21 C 1S 0.00000 0.02963 0.00001 -0.00005 -0.07565 172 2S 0.00003 -0.04876 0.00003 0.00014 0.24779 173 2PX -0.00002 0.10813 0.00000 -0.00026 -0.41025 174 2PY -0.32328 0.00005 -0.68810 0.28789 -0.00026 175 2PZ -0.00001 0.03157 0.00000 -0.00008 -0.13364 176 3S 0.00005 -0.80432 -0.00015 0.00134 2.09087 177 3PX 0.00000 0.01690 0.00003 -0.00030 -0.48076 178 3PY -0.36165 0.00003 -0.41786 0.31166 -0.00025 179 3PZ -0.00001 -0.00429 -0.00002 -0.00009 -0.13876 180 4XX -0.00002 0.49021 0.00005 -0.00010 -0.14637 181 4YY 0.00003 -0.73190 -0.00010 0.00036 0.57311 182 4ZZ -0.00001 0.30945 0.00006 -0.00029 -0.45023 183 4XY 0.37868 -0.00003 0.64653 -0.27626 0.00023 184 4XZ 0.00000 0.07894 0.00001 0.00002 0.03934 185 4YZ 0.21387 -0.00001 0.24209 0.02137 0.00001 186 22 H 1S 0.00000 -0.06419 -0.00001 0.00000 0.01021 187 2S 0.00000 0.18123 0.00004 -0.00011 -0.17269 188 23 H 1S 0.00000 -0.09588 -0.00001 -0.00004 -0.05685 189 2S -0.00001 0.19041 0.00001 -0.00009 -0.12893 176 177 178 179 180 V V V V V Eigenvalues -- 2.94339 3.13276 3.13758 4.01189 4.12432 1 1 C 1S -0.00195 0.03548 -0.04247 0.01061 0.02391 2 2S 0.01621 -0.24353 -0.02655 -0.10553 -0.29554 3 2PX -0.06401 0.00055 -0.00423 0.01506 -0.03566 4 2PY 0.40656 0.03708 -0.05010 0.00439 -0.02156 5 2PZ -0.24605 0.10817 -0.05044 0.02214 -0.05309 6 3S 0.21730 -1.38625 1.17537 -0.05923 0.98262 7 3PX -0.16137 0.34380 -0.13364 0.01879 -0.10271 8 3PY 1.38270 0.31149 -0.32647 -0.00329 -0.27382 9 3PZ -0.97343 0.63043 -0.45328 0.03589 -0.48297 10 4XX 0.00478 0.24477 -0.22823 0.06163 0.06664 11 4YY -0.64548 -0.23503 0.28327 0.04535 0.22339 12 4ZZ 0.62294 0.15397 -0.09389 0.01967 0.18982 13 4XY -0.13851 0.05709 -0.14541 -0.01290 -0.00193 14 4XZ 0.18798 0.05261 -0.07164 -0.02767 0.03248 15 4YZ -0.36667 0.47051 -0.54565 0.00451 -0.02982 16 2 C 1S 0.00654 -0.05215 0.02007 0.02128 -0.00062 17 2S -0.09689 -0.35685 -0.32877 -0.35007 0.48961 18 2PX -0.12178 -0.00973 -0.02300 0.00070 0.00820 19 2PY 0.12835 -0.00601 0.09202 0.01532 -0.00360 20 2PZ -0.31020 0.10867 -0.17191 0.01096 -0.03399 21 3S -0.71215 2.19412 -0.31205 0.34437 -1.33246 22 3PX -0.58027 -0.09666 0.21524 -0.02617 -0.03084 23 3PY 0.20476 -1.00328 0.07161 -0.22754 0.79771 24 3PZ -1.32173 -0.06924 -0.12065 -0.14604 0.02953 25 4XX 0.20195 0.04292 0.10826 0.15652 -0.15554 26 4YY -0.06411 -0.29930 0.37326 0.12155 -0.12610 27 4ZZ -0.21663 0.32937 -0.32789 0.15164 -0.18040 28 4XY 0.24069 -0.02020 -0.00169 0.00231 0.00914 29 4XZ 0.06490 0.27490 -0.27238 0.01694 -0.08247 30 4YZ 0.56788 0.01056 0.00967 0.02036 0.01425 31 3 C 1S -0.00653 0.05215 -0.02006 0.02127 0.00023 32 2S 0.09690 0.35685 0.32878 -0.35003 -0.48723 33 2PX 0.12177 0.00972 0.02298 0.00071 -0.00827 34 2PY 0.12837 -0.00601 0.09202 -0.01533 -0.00344 35 2PZ 0.31019 -0.10866 0.17190 0.01096 0.03416 36 3S 0.71207 -2.19410 0.31195 0.34433 1.33337 37 3PX 0.58032 0.09673 -0.21525 -0.02624 0.03067 38 3PY 0.20483 -1.00323 0.07158 0.22752 0.79771 39 3PZ 1.32166 0.06932 0.12070 -0.14607 -0.02983 40 4XX -0.20200 -0.04297 -0.10824 0.15651 0.15421 41 4YY 0.06416 0.29930 -0.37325 0.12153 0.12456 42 4ZZ 0.21662 -0.32933 0.32786 0.15161 0.17927 43 4XY 0.24069 -0.02023 -0.00165 -0.00232 0.00902 44 4XZ -0.06494 -0.27489 0.27238 0.01694 0.08273 45 4YZ 0.56786 0.01053 0.00972 -0.02036 0.01426 46 4 C 1S 0.00195 -0.03548 0.04247 0.01061 -0.02457 47 2S -0.01620 0.24352 0.02656 -0.10557 0.30004 48 2PX 0.06397 -0.00055 0.00423 0.01506 0.03560 49 2PY 0.40658 0.03710 -0.05011 -0.00438 -0.02137 50 2PZ 0.24603 -0.10815 0.05043 0.02213 0.05305 51 3S -0.21724 1.38618 -1.17535 -0.05908 -0.98115 52 3PX 0.16126 -0.34381 0.13367 0.01881 0.10290 53 3PY 1.38272 0.31145 -0.32643 0.00334 -0.27403 54 3PZ 0.97337 -0.63041 0.45329 0.03586 0.48321 55 4XX -0.00476 -0.24476 0.22824 0.06163 -0.06918 56 4YY 0.64542 0.23507 -0.28332 0.04537 -0.22580 57 4ZZ -0.62291 -0.15401 0.09392 0.01968 -0.19242 58 4XY -0.13859 0.05704 -0.14535 0.01291 -0.00190 59 4XZ -0.18794 -0.05266 0.07169 -0.02767 -0.03251 60 4YZ -0.36675 0.47046 -0.54562 -0.00452 -0.02981 61 5 H 1S -0.00508 -0.21491 0.21426 0.00762 -0.02675 62 2S 0.02161 -0.06656 -0.00724 -0.00075 0.14005 63 6 H 1S 0.00507 0.21491 -0.21426 0.00761 0.02701 64 2S -0.02162 0.06655 0.00724 -0.00075 -0.14072 65 7 C 1S -0.00368 0.05431 0.03784 0.00129 0.08478 66 2S -0.00776 0.11706 0.14651 0.15154 -0.85629 67 2PX -0.01487 -0.28889 -0.27641 -0.06702 0.15693 68 2PY -0.01927 -0.18221 -0.14691 -0.04211 -0.10584 69 2PZ -0.00816 -0.16423 -0.12555 0.02321 0.05902 70 3S 0.26720 -2.62351 -2.09097 -0.95639 2.92330 71 3PX 0.17793 -0.84775 -0.76579 -0.33914 1.42631 72 3PY -0.16195 0.37598 0.22320 -0.07600 -0.59844 73 3PZ 0.15798 -1.37941 -1.23439 -0.43856 1.69727 74 4XX -0.01332 -0.19922 -0.17171 0.01442 0.46863 75 4YY 0.04303 0.19532 0.14103 -0.01765 0.52786 76 4ZZ -0.02466 0.01163 -0.04004 0.01136 0.39802 77 4XY 0.08452 -0.33216 -0.31383 0.07762 -0.00818 78 4XZ -0.00128 -0.36024 -0.34559 -0.05412 0.15222 79 4YZ 0.10922 -0.26996 -0.22179 0.06953 -0.01166 80 8 H 1S 0.08593 -0.13710 -0.10035 0.08415 -0.01859 81 2S 0.01993 -0.20323 -0.21263 -0.07800 0.50108 82 9 C 1S 0.00367 -0.05431 -0.03784 0.00128 -0.08545 83 2S 0.00778 -0.11712 -0.14656 0.15158 0.86074 84 2PX 0.01490 0.28889 0.27641 -0.06701 -0.15714 85 2PY -0.01927 -0.18221 -0.14691 0.04210 -0.10557 86 2PZ 0.00818 0.16421 0.12553 0.02321 -0.05912 87 3S -0.26709 2.62354 2.09101 -0.95631 -2.92204 88 3PX -0.17790 0.84773 0.76577 -0.33908 -1.42631 89 3PY -0.16199 0.37600 0.22320 0.07597 -0.59853 90 3PZ -0.15796 1.37941 1.23439 -0.43850 -1.69750 91 4XX 0.01335 0.19924 0.17172 0.01440 -0.47142 92 4YY -0.04304 -0.19530 -0.14102 -0.01768 -0.53030 93 4ZZ 0.02466 -0.01163 0.04004 0.01134 -0.40071 94 4XY 0.08451 -0.33215 -0.31382 -0.07762 -0.00811 95 4XZ 0.00131 0.36024 0.34558 -0.05412 -0.15233 96 4YZ 0.10921 -0.26996 -0.22179 -0.06952 -0.01167 97 10 H 1S -0.08593 0.13710 0.10035 0.08416 0.01892 98 2S -0.01994 0.20323 0.21262 -0.07800 -0.50169 99 11 H 1S -0.01989 -0.12508 0.16474 -0.01641 -0.00040 100 2S 0.04839 -0.11950 -0.09077 0.10146 0.20433 101 12 H 1S 0.01990 0.12508 -0.16474 -0.01642 0.00062 102 2S -0.04839 0.11952 0.09077 0.10146 -0.20469 103 13 C 1S -0.00079 -0.04248 0.01459 -0.00350 -0.01435 104 2S 0.02983 -0.23146 -0.15377 0.15363 0.53240 105 2PX 0.07580 0.06204 -0.06468 -0.01318 0.00694 106 2PY -0.12477 -0.03603 0.03850 0.02595 -0.00331 107 2PZ 0.08794 0.08295 -0.04302 -0.02070 -0.05049 108 3S 0.15506 1.84673 -0.02607 -0.26553 -1.18469 109 3PX 0.49730 0.57173 0.12139 -0.15410 -0.62714 110 3PY -0.75718 0.29852 0.13949 0.01252 -0.38963 111 3PZ 0.25189 0.29485 -0.04181 -0.08370 -0.13367 112 4XX 0.18938 0.02246 -0.00562 -0.07042 -0.17259 113 4YY -0.36487 0.03019 -0.00689 -0.03279 -0.20939 114 4ZZ 0.18379 -0.05657 0.13576 -0.05668 -0.19038 115 4XY -0.07610 -0.15445 0.18488 0.01805 0.00114 116 4XZ 0.22097 0.11097 -0.06745 -0.04177 -0.05872 117 4YZ -0.09467 -0.12351 0.17082 0.00162 0.00194 118 14 H 1S -0.02203 -0.07019 -0.10055 0.03223 0.12422 119 2S -0.02852 -0.04632 0.10958 -0.02981 -0.03737 120 15 H 1S 0.01129 -0.01645 -0.00716 0.00453 0.00967 121 2S 0.03330 0.02631 0.06466 -0.02360 -0.18424 122 16 C 1S 0.00079 0.04248 -0.01459 -0.00349 0.01372 123 2S -0.02985 0.23144 0.15377 0.15361 -0.52840 124 2PX -0.07579 -0.06204 0.06468 -0.01317 -0.00692 125 2PY -0.12478 -0.03604 0.03851 -0.02596 -0.00341 126 2PZ -0.08794 -0.08295 0.04304 -0.02070 0.05047 127 3S -0.15505 -1.84671 0.02613 -0.26554 1.18635 128 3PX -0.49727 -0.57169 -0.12136 -0.15415 0.62677 129 3PY -0.75723 0.29850 0.13950 -0.01248 -0.38951 130 3PZ -0.25181 -0.29496 0.04179 -0.08370 0.13362 131 4XX -0.18934 -0.02242 0.00560 -0.07039 0.17004 132 4YY 0.36486 -0.03021 0.00692 -0.03277 0.20720 133 4ZZ -0.18381 0.05657 -0.13577 -0.05667 0.18788 134 4XY -0.07611 -0.15447 0.18488 -0.01805 0.00118 135 4XZ -0.22095 -0.11096 0.06745 -0.04177 0.05872 136 4YZ -0.09476 -0.12351 0.17082 -0.00163 0.00198 137 17 H 1S 0.02204 0.07020 0.10054 0.03224 -0.12397 138 2S 0.02854 0.04629 -0.10959 -0.02983 0.03685 139 18 H 1S -0.01129 0.01644 0.00716 0.00452 -0.00941 140 2S -0.03330 -0.02630 -0.06465 -0.02364 0.18349 141 19 O 1S 0.00818 0.00901 0.00164 -0.39387 0.40268 142 2S 0.02821 -0.37915 -0.31950 -0.40226 0.63384 143 2PX 0.02230 0.01397 0.00488 0.04680 -0.04934 144 2PY -0.00406 -0.02351 -0.02238 0.13947 -0.16606 145 2PZ 0.00995 -0.01888 -0.01592 0.04422 -0.03968 146 3S -0.23020 1.26355 1.14287 4.81468 -5.56154 147 3PX -0.00827 -1.19461 -1.04538 -0.11566 0.85427 148 3PY 0.05888 -0.01981 -0.00978 -0.97386 0.87124 149 3PZ 0.01646 -0.65548 -0.58405 -0.16603 0.61614 150 4XX -0.00294 0.35181 0.29776 -1.26878 1.15514 151 4YY 0.03989 -0.25944 -0.24345 -1.17534 1.26410 152 4ZZ 0.00587 0.19248 0.14285 -1.33772 1.37996 153 4XY 0.03950 0.36798 0.32403 -0.09145 -0.14409 154 4XZ -0.03679 0.33598 0.30761 0.08597 -0.24420 155 4YZ 0.02813 0.19801 0.16615 -0.00706 -0.11705 156 20 O 1S -0.00818 -0.00901 -0.00164 -0.39385 -0.40281 157 2S -0.02820 0.37917 0.31952 -0.40224 -0.63413 158 2PX -0.02230 -0.01397 -0.00488 0.04680 0.04918 159 2PY -0.00407 -0.02350 -0.02237 -0.13946 -0.16611 160 2PZ -0.00996 0.01888 0.01592 0.04422 0.03962 161 3S 0.23020 -1.26357 -1.14290 4.81446 5.56359 162 3PX 0.00839 1.19460 1.04538 -0.11563 -0.85432 163 3PY 0.05893 -0.01982 -0.00980 0.97384 0.87188 164 3PZ -0.01639 0.65545 0.58403 -0.16599 -0.61638 165 4XX 0.00292 -0.35183 -0.29777 -1.26872 -1.15536 166 4YY -0.03986 0.25944 0.24346 -1.17529 -1.26451 167 4ZZ -0.00589 -0.19245 -0.14282 -1.33765 -1.38027 168 4XY 0.03956 0.36797 0.32401 0.09145 -0.14426 169 4XZ 0.03676 -0.33597 -0.30760 0.08596 0.24449 170 4YZ 0.02818 0.19799 0.16613 0.00706 -0.11722 171 21 C 1S 0.00000 0.00000 0.00000 -0.12394 0.00013 172 2S -0.00002 0.00000 0.00000 0.95554 -0.00053 173 2PX 0.00002 0.00000 0.00000 0.16550 0.00002 174 2PY 0.05139 0.24416 0.21429 0.00000 0.05152 175 2PZ 0.00001 0.00000 0.00000 0.08561 0.00001 176 3S -0.00010 0.00005 0.00005 -2.06873 -0.00147 177 3PX 0.00002 -0.00002 -0.00001 0.78671 0.00036 178 3PY 0.04747 0.62878 0.54820 -0.00001 0.38786 179 3PZ 0.00001 -0.00001 -0.00001 0.18759 0.00029 180 4XX 0.00001 -0.00001 -0.00001 -0.59084 0.00040 181 4YY -0.00002 0.00001 0.00001 -0.37869 0.00049 182 4ZZ 0.00002 -0.00002 -0.00002 -0.54382 0.00046 183 4XY -0.03206 -0.31423 -0.27720 0.00000 0.11057 184 4XZ 0.00000 0.00000 0.00000 -0.03179 -0.00007 185 4YZ 0.00781 -0.13879 -0.12359 0.00000 0.00793 186 22 H 1S 0.00000 0.00000 0.00000 0.24394 0.00000 187 2S 0.00001 0.00000 0.00000 0.04117 0.00010 188 23 H 1S 0.00000 0.00000 0.00000 0.21768 0.00004 189 2S 0.00001 -0.00001 -0.00001 -0.05423 0.00018 181 182 183 184 185 V V V V V Eigenvalues -- 4.12773 4.22312 4.28836 4.36076 4.37991 1 1 C 1S -0.19033 0.18106 -0.13466 0.18651 -0.20247 2 2S 1.30322 -0.98150 0.76656 -0.99290 1.24495 3 2PX -0.01584 -0.02948 -0.00633 0.02437 -0.02511 4 2PY -0.05772 0.05011 -0.03795 0.02335 0.15016 5 2PZ -0.00239 -0.11867 0.06638 -0.06853 0.03158 6 3S 0.42597 -0.86354 0.39944 -0.66008 0.31014 7 3PX 0.04839 0.03739 0.01643 -0.04636 0.23235 8 3PY 0.06534 -0.04969 -0.01282 0.00370 -0.07478 9 3PZ 0.06570 0.23162 -0.07159 0.11530 0.35732 10 4XX -0.74230 0.69639 -0.51558 0.70876 -0.78033 11 4YY -0.70224 0.61145 -0.47290 0.63325 -0.97467 12 4ZZ -0.76274 0.75276 -0.54272 0.71430 -0.76622 13 4XY -0.00399 -0.02520 -0.00238 0.01241 -0.02198 14 4XZ -0.01018 0.01211 -0.02128 0.03392 0.00280 15 4YZ 0.00262 -0.04904 0.01556 0.00419 0.01324 16 2 C 1S -0.10301 -0.11083 0.00690 0.03336 -0.19974 17 2S 0.63171 0.56287 -0.06312 -0.05361 0.75260 18 2PX -0.02046 -0.05660 -0.00892 -0.00105 -0.02358 19 2PY -0.04702 0.03488 -0.02491 0.01995 0.05244 20 2PZ 0.05376 -0.12199 0.04169 -0.05466 0.08299 21 3S 0.21778 0.58958 -0.18202 -0.07779 1.41541 22 3PX -0.02613 0.18219 0.07263 -0.08900 -0.07498 23 3PY -0.01415 -0.05879 -0.00187 0.01331 -0.65991 24 3PZ -0.05905 0.21457 0.05951 0.09841 0.04533 25 4XX -0.35787 -0.33481 0.04019 0.04438 -0.69439 26 4YY -0.40587 -0.44934 0.03326 0.11997 -0.64337 27 4ZZ -0.28574 -0.45922 0.10193 0.00869 -0.55281 28 4XY 0.03071 0.04267 -0.02454 0.02966 0.02058 29 4XZ 0.07322 0.01761 0.01909 0.00584 0.10662 30 4YZ -0.00649 0.11337 -0.04779 0.03083 -0.03355 31 3 C 1S -0.10301 -0.11083 0.00691 0.03331 0.19972 32 2S 0.63347 0.56292 -0.06324 -0.05342 -0.75244 33 2PX -0.02043 -0.05660 -0.00893 -0.00105 0.02358 34 2PY 0.04703 -0.03489 0.02492 -0.01996 0.05242 35 2PZ 0.05364 -0.12200 0.04170 -0.05462 -0.08301 36 3S 0.21290 0.58933 -0.18191 -0.07763 -1.41522 37 3PX -0.02627 0.18220 0.07266 -0.08899 0.07499 38 3PY 0.01123 0.05867 0.00197 -0.01328 -0.65989 39 3PZ -0.05894 0.21453 0.05954 0.09843 -0.04533 40 4XX -0.35841 -0.33480 0.04025 0.04422 0.69428 41 4YY -0.40632 -0.44936 0.03332 0.11983 0.64328 42 4ZZ -0.28639 -0.45924 0.10199 0.00858 0.55269 43 4XY -0.03074 -0.04267 0.02454 -0.02965 0.02058 44 4XZ 0.07291 0.01760 0.01910 0.00586 -0.10663 45 4YZ 0.00645 -0.11336 0.04780 -0.03080 -0.03357 46 4 C 1S -0.19025 0.18108 -0.13466 0.18643 0.20252 47 2S 1.30212 -0.98161 0.76660 -0.99241 -1.24519 48 2PX -0.01598 -0.02948 -0.00633 0.02437 0.02510 49 2PY 0.05780 -0.05011 0.03795 -0.02340 0.15014 50 2PZ -0.00258 -0.11868 0.06639 -0.06851 -0.03161 51 3S 0.42958 -0.86338 0.39930 -0.65970 -0.31032 52 3PX 0.04801 0.03734 0.01642 -0.04634 -0.23235 53 3PY -0.06431 0.04973 0.01281 -0.00360 -0.07481 54 3PZ 0.06391 0.23150 -0.07154 0.11530 -0.35729 55 4XX -0.74205 0.69643 -0.51559 0.70845 0.78050 56 4YY -0.70141 0.61153 -0.47293 0.63286 0.97482 57 4ZZ -0.76204 0.75281 -0.54275 0.71399 0.76640 58 4XY 0.00399 0.02521 0.00237 -0.01240 -0.02201 59 4XZ -0.01006 0.01211 -0.02129 0.03392 -0.00279 60 4YZ -0.00251 0.04905 -0.01557 -0.00420 0.01324 61 5 H 1S 0.07597 -0.05786 0.06028 -0.08991 0.04489 62 2S -0.19406 0.08322 -0.09691 0.16685 -0.26634 63 6 H 1S 0.07587 -0.05787 0.06029 -0.08988 -0.04490 64 2S -0.19354 0.08326 -0.09691 0.16679 0.26638 65 7 C 1S -0.18320 0.10059 0.09062 -0.27580 -0.12021 66 2S 1.20951 -0.54861 -0.32817 1.45136 0.95873 67 2PX -0.05600 0.00613 0.00602 -0.02186 -0.01402 68 2PY -0.07540 0.05437 -0.01796 -0.04592 0.08729 69 2PZ -0.02636 -0.00177 0.03051 -0.09478 -0.02034 70 3S 0.34862 -0.35488 -0.20583 1.13145 0.45515 71 3PX -0.01072 0.20462 -0.06647 -0.03539 0.26326 72 3PY 0.02867 -0.09965 0.20187 0.04240 0.02990 73 3PZ -0.08196 0.15646 -0.12814 0.19993 -0.05416 74 4XX -0.75837 0.37139 0.27099 -1.08527 -0.58669 75 4YY -0.66595 0.34408 0.26071 -0.94496 -0.65240 76 4ZZ -0.73979 0.40180 0.32036 -1.06024 -0.53430 77 4XY -0.02143 0.03175 0.01097 -0.03347 -0.03562 78 4XZ -0.03320 0.05195 -0.02878 -0.05812 -0.01302 79 4YZ 0.00122 0.01904 -0.02273 0.00514 -0.00504 80 8 H 1S 0.08554 -0.01538 -0.08031 0.09932 0.05367 81 2S -0.17979 0.25293 -0.01523 -0.23739 -0.12469 82 9 C 1S -0.18289 0.10059 0.09061 -0.27582 0.12016 83 2S 1.20634 -0.54863 -0.32810 1.45150 -0.95846 84 2PX -0.05543 0.00615 0.00601 -0.02186 0.01401 85 2PY 0.07579 -0.05436 0.01796 0.04591 0.08730 86 2PZ -0.02615 -0.00176 0.03050 -0.09477 0.02032 87 3S 0.35932 -0.35454 -0.20604 1.13150 -0.45505 88 3PX -0.00548 0.20479 -0.06658 -0.03535 -0.26327 89 3PY -0.02648 0.09968 -0.20191 -0.04245 0.02995 90 3PZ -0.07569 0.15663 -0.12827 0.19989 0.05418 91 4XX -0.75664 0.37140 0.27095 -1.08534 0.58650 92 4YY -0.66400 0.34407 0.26067 -0.94505 0.65224 93 4ZZ -0.73831 0.40180 0.32032 -1.06031 0.53412 94 4XY 0.02145 -0.03174 -0.01097 0.03348 -0.03562 95 4XZ -0.03264 0.05196 -0.02879 -0.05813 0.01300 96 4YZ -0.00118 -0.01904 0.02273 -0.00514 -0.00504 97 10 H 1S 0.08548 -0.01538 -0.08031 0.09932 -0.05364 98 2S -0.17794 0.25296 -0.01527 -0.23744 0.12468 99 11 H 1S 0.05965 0.04748 0.00785 -0.02034 -0.08244 100 2S -0.08737 -0.12403 0.01700 0.03335 -0.05229 101 12 H 1S 0.05965 0.04749 0.00786 -0.02035 0.08244 102 2S -0.08662 -0.12400 0.01696 0.03338 0.05227 103 13 C 1S -0.16665 -0.27395 -0.01263 0.03687 0.14555 104 2S 1.05771 1.43474 0.08092 -0.21213 -0.92170 105 2PX 0.00377 -0.02895 -0.00404 0.03259 0.03210 106 2PY 0.02774 0.00365 0.00605 -0.00004 0.04600 107 2PZ -0.00002 -0.01928 0.01523 -0.02699 0.00131 108 3S 0.45395 1.16038 0.14633 -0.11268 -0.17964 109 3PX -0.08553 0.06498 0.03718 -0.07525 0.10585 110 3PY -0.03753 -0.08209 -0.05340 0.01183 0.05406 111 3PZ -0.04815 0.02899 -0.03546 0.11944 0.31027 112 4XX -0.67027 -1.04067 -0.04539 0.13877 0.58041 113 4YY -0.57846 -0.90584 -0.04696 0.13140 0.66276 114 4ZZ -0.66478 -1.02837 -0.05452 0.14435 0.54412 115 4XY -0.00558 -0.02544 -0.00111 0.01230 0.02345 116 4XZ 0.00037 0.03212 -0.01160 0.01207 -0.02703 117 4YZ -0.00895 -0.00801 -0.00244 0.00568 0.03005 118 14 H 1S 0.06617 0.07178 -0.00419 0.00006 -0.02483 119 2S -0.15150 -0.27588 -0.06145 0.13373 0.20283 120 15 H 1S 0.06813 0.08768 -0.00114 -0.02108 -0.08580 121 2S -0.19190 -0.25763 0.00876 -0.04885 0.15910 122 16 C 1S -0.16671 -0.27396 -0.01262 0.03684 -0.14552 123 2S 1.05970 1.43484 0.08079 -0.21197 0.92153 124 2PX 0.00380 -0.02895 -0.00404 0.03259 -0.03210 125 2PY -0.02773 -0.00366 -0.00605 0.00003 0.04600 126 2PZ -0.00020 -0.01929 0.01523 -0.02700 -0.00131 127 3S 0.44963 1.16023 0.14643 -0.11258 0.17944 128 3PX -0.08786 0.06494 0.03723 -0.07532 -0.10584 129 3PY 0.03897 0.08214 0.05331 -0.01180 0.05401 130 3PZ -0.04861 0.02892 -0.03543 0.11944 -0.31032 131 4XX -0.67092 -1.04072 -0.04533 0.13868 -0.58028 132 4YY -0.57927 -0.90588 -0.04690 0.13129 -0.66264 133 4ZZ -0.66549 -1.02840 -0.05446 0.14424 -0.54399 134 4XY 0.00558 0.02545 0.00111 -0.01230 0.02345 135 4XZ 0.00015 0.03211 -0.01159 0.01206 0.02703 136 4YZ 0.00893 0.00800 0.00244 -0.00569 0.03008 137 17 H 1S 0.06663 0.07179 -0.00420 0.00008 0.02483 138 2S -0.15163 -0.27591 -0.06142 0.13370 -0.20281 139 18 H 1S 0.06816 0.08770 -0.00115 -0.02109 0.08580 140 2S -0.19259 -0.25764 0.00878 -0.04889 -0.15906 141 19 O 1S -0.03141 0.02755 0.08775 0.05964 0.09835 142 2S -0.07833 0.07146 -0.03062 0.03476 0.08393 143 2PX -0.04495 0.03054 0.04020 -0.03317 -0.03982 144 2PY 0.01129 -0.00971 -0.06794 -0.05892 -0.05577 145 2PZ -0.01357 0.00788 0.01265 -0.02924 -0.01995 146 3S 0.53357 -0.50753 -0.92922 -0.87252 -1.11679 147 3PX -0.01600 0.04603 0.04701 0.07122 0.00080 148 3PY -0.17175 0.13669 -0.07217 0.02220 0.12713 149 3PZ -0.07606 0.05801 0.05945 -0.04045 0.01700 150 4XX -0.04786 0.05023 0.32258 0.29628 0.36377 151 4YY -0.09738 0.09530 0.51937 0.26072 0.33365 152 4ZZ -0.07164 0.06960 0.22720 0.23745 0.36665 153 4XY 0.04631 -0.04974 -0.18210 -0.03610 0.02550 154 4XZ 0.08267 -0.05306 0.02573 0.12288 0.04393 155 4YZ 0.04658 -0.03487 -0.07197 0.03686 0.02139 156 20 O 1S -0.02995 0.02760 0.08772 0.05966 -0.09836 157 2S -0.07601 0.07154 -0.03067 0.03479 -0.08395 158 2PX -0.04512 0.03053 0.04021 -0.03317 0.03981 159 2PY -0.01069 0.00974 0.06794 0.05894 -0.05577 160 2PZ -0.01371 0.00788 0.01265 -0.02924 0.01995 161 3S 0.51330 -0.50823 -0.92880 -0.87283 1.11683 162 3PX -0.01286 0.04614 0.04695 0.07124 -0.00081 163 3PY 0.16857 -0.13679 0.07225 -0.02224 0.12716 164 3PZ -0.07379 0.05808 0.05941 -0.04044 -0.01703 165 4XX -0.04368 0.05038 0.32250 0.29639 -0.36376 166 4YY -0.09279 0.09546 0.51928 0.26082 -0.33365 167 4ZZ -0.06664 0.06978 0.22710 0.23756 -0.36665 168 4XY -0.04578 0.04975 0.18209 0.03610 0.02551 169 4XZ 0.08178 -0.05309 0.02575 0.12288 -0.04390 170 4YZ -0.04615 0.03488 0.07196 -0.03686 0.02138 171 21 C 1S 0.06785 -0.06133 -0.42861 -0.17073 -0.00002 172 2S -0.26739 0.31200 2.39258 1.13155 0.00014 173 2PX 0.01374 0.00847 0.14971 0.07005 0.00001 174 2PY -0.00010 0.00000 0.00001 0.00000 0.00601 175 2PZ 0.00852 -0.01775 0.07129 0.00906 0.00000 176 3S -0.74309 0.52693 2.26332 0.82206 0.00007 177 3PX 0.18676 -0.12190 -0.01976 0.02604 0.00001 178 3PY -0.00070 -0.00002 0.00002 -0.00002 0.17738 179 3PZ 0.13629 0.02831 -0.14148 0.17690 0.00004 180 4XX 0.20190 -0.22586 -1.67870 -0.75760 -0.00010 181 4YY 0.24013 -0.23753 -1.86087 -0.78529 -0.00009 182 4ZZ 0.23525 -0.22872 -1.60922 -0.67926 -0.00009 183 4XY -0.00020 -0.00001 0.00000 -0.00001 0.03133 184 4XZ -0.03821 0.01923 -0.03403 -0.05072 0.00000 185 4YZ -0.00001 0.00000 0.00000 0.00000 0.01152 186 22 H 1S 0.00295 -0.00868 0.09799 0.01489 0.00000 187 2S 0.05665 -0.11183 -0.43836 -0.26355 -0.00004 188 23 H 1S 0.02021 0.01059 0.05893 0.05652 0.00001 189 2S 0.08293 -0.03967 -0.53078 -0.14944 -0.00001 186 187 188 189 V V V V Eigenvalues -- 4.44862 4.50900 4.60326 4.87096 1 1 C 1S 0.01481 0.22770 -0.18752 -0.02365 2 2S -0.07472 -1.10167 0.87605 0.19535 3 2PX -0.03170 -0.02201 0.00767 0.03083 4 2PY 0.08349 -0.08456 0.07766 -0.04055 5 2PZ -0.11330 -0.12291 0.10412 0.02171 6 3S -0.55737 -2.39777 1.65077 2.53684 7 3PX 0.04400 0.12169 -0.00208 -0.46816 8 3PY -0.08338 0.40543 -0.52391 -0.14029 9 3PZ 0.18040 0.68153 -0.22432 -1.21921 10 4XX 0.06734 0.82479 -0.66258 -0.08843 11 4YY 0.09238 1.03223 -0.86145 -0.19239 12 4ZZ 0.16979 0.87001 -0.71321 -0.20349 13 4XY -0.02653 -0.03948 -0.02521 0.04576 14 4XZ 0.03535 0.02944 -0.03319 -0.02865 15 4YZ -0.13440 -0.09300 0.08396 0.13414 16 2 C 1S -0.32492 -0.08609 0.02299 0.39277 17 2S 1.72553 0.30513 -0.55044 -0.87380 18 2PX -0.00028 -0.02471 0.00170 0.04534 19 2PY 0.10204 0.06427 -0.03232 -0.21923 20 2PZ -0.01358 -0.08249 0.04366 0.00577 21 3S 2.16758 0.90245 -0.12143 -5.51932 22 3PX 0.01950 0.15431 0.31104 -0.05245 23 3PY -0.23900 -0.30460 0.00223 2.02337 24 3PZ -0.10246 0.27108 0.03779 -0.03707 25 4XX -1.23473 -0.21720 0.24282 1.19478 26 4YY -1.24394 -0.31264 0.19374 1.21158 27 4ZZ -1.34419 -0.40325 0.32817 1.30170 28 4XY -0.03541 0.04848 -0.05221 0.04596 29 4XZ -0.10948 0.03194 0.03955 0.05686 30 4YZ 0.01718 0.10896 -0.02981 -0.00119 31 3 C 1S -0.32495 0.08606 -0.02301 -0.39277 32 2S 1.72560 -0.30504 0.55058 0.87375 33 2PX -0.00028 0.02470 -0.00171 -0.04532 34 2PY -0.10204 0.06428 -0.03232 -0.21923 35 2PZ -0.01357 0.08250 -0.04365 -0.00577 36 3S 2.16785 -0.90231 0.12153 5.51936 37 3PX 0.01952 -0.15425 -0.31108 0.05237 38 3PY 0.23908 -0.30463 0.00218 2.02330 39 3PZ -0.10245 -0.27110 -0.03781 0.03700 40 4XX -1.23483 0.21711 -0.24293 -1.19476 41 4YY -1.24403 0.31256 -0.19384 -1.21158 42 4ZZ -1.34426 0.40317 -0.32826 -1.30167 43 4XY 0.03541 0.04849 -0.05221 0.04596 44 4XZ -0.10946 -0.03196 -0.03955 -0.05687 45 4YZ -0.01720 0.10897 -0.02982 -0.00120 46 4 C 1S 0.01478 -0.22774 0.18752 0.02364 47 2S -0.07459 1.10182 -0.87603 -0.19531 48 2PX -0.03170 0.02201 -0.00768 -0.03081 49 2PY -0.08351 -0.08456 0.07765 -0.04056 50 2PZ -0.11329 0.12293 -0.10413 -0.02169 51 3S -0.55731 2.39788 -1.65075 -2.53678 52 3PX 0.04403 -0.12174 0.00213 0.46814 53 3PY 0.08343 0.40543 -0.52389 -0.14017 54 3PZ 0.18045 -0.68160 0.22431 1.21916 55 4XX 0.06724 -0.82491 0.66256 0.08838 56 4YY 0.09227 -1.03235 0.86143 0.19236 57 4ZZ 0.16969 -0.87012 0.71319 0.20343 58 4XY 0.02654 -0.03946 -0.02522 0.04575 59 4XZ 0.03534 -0.02943 0.03319 0.02865 60 4YZ 0.13440 -0.09298 0.08396 0.13414 61 5 H 1S 0.02602 -0.05783 0.05290 0.00954 62 2S 0.00586 0.03003 -0.10346 0.20095 63 6 H 1S 0.02603 0.05785 -0.05290 -0.00953 64 2S 0.00583 -0.03004 0.10347 -0.20092 65 7 C 1S 0.03356 0.04661 0.31063 -0.18577 66 2S 0.05321 -0.23180 -1.25873 0.07121 67 2PX -0.01411 -0.00469 -0.00585 0.07540 68 2PY -0.01683 -0.02111 -0.14752 0.04652 69 2PZ 0.00967 -0.02963 0.10664 -0.04507 70 3S -0.59237 -0.11349 -3.68963 4.80613 71 3PX -0.01172 0.53484 -0.13456 0.43917 72 3PY -0.09406 -0.21270 0.93529 -1.07438 73 3PZ -0.24077 0.51664 -0.73563 1.72955 74 4XX 0.03740 0.17805 1.10341 -0.39255 75 4YY 0.07337 0.23356 1.31692 -0.58790 76 4ZZ 0.07161 0.17572 1.09343 -0.47046 77 4XY 0.02966 0.01089 -0.00411 0.00300 78 4XZ 0.01268 0.05356 0.02105 0.01954 79 4YZ -0.01694 0.02537 0.05678 -0.02250 80 8 H 1S 0.02198 0.08370 -0.05170 -0.00400 81 2S -0.00230 0.33551 0.08726 0.23161 82 9 C 1S 0.03358 -0.04655 -0.31064 0.18580 83 2S 0.05316 0.23154 1.25878 -0.07126 84 2PX -0.01409 0.00468 0.00586 -0.07540 85 2PY 0.01684 -0.02111 -0.14752 0.04653 86 2PZ 0.00967 0.02966 -0.10664 0.04508 87 3S -0.59259 0.11316 3.68970 -4.80632 88 3PX -0.01169 -0.53483 0.13458 -0.43915 89 3PY 0.09402 -0.21270 0.93528 -1.07443 90 3PZ -0.24081 -0.51671 0.73563 -1.72958 91 4XX 0.03745 -0.17783 -1.10346 0.39264 92 4YY 0.07344 -0.23337 -1.31696 0.58797 93 4ZZ 0.07167 -0.17550 -1.09347 0.47056 94 4XY -0.02966 0.01088 -0.00411 0.00300 95 4XZ 0.01269 -0.05355 -0.02105 -0.01953 96 4YZ 0.01694 0.02537 0.05678 -0.02250 97 10 H 1S 0.02198 -0.08372 0.05170 0.00398 98 2S -0.00227 -0.33545 -0.08727 -0.23158 99 11 H 1S 0.06098 -0.02979 0.02733 0.05775 100 2S -0.29865 0.01810 -0.01174 0.08152 101 12 H 1S 0.06098 0.02979 -0.02733 -0.05776 102 2S -0.29864 -0.01814 0.01170 -0.08156 103 13 C 1S 0.15486 0.29140 0.11662 0.17101 104 2S -0.79097 -1.32779 -0.58140 -0.43144 105 2PX 0.05394 0.05424 0.04243 -0.02025 106 2PY -0.02486 0.05014 0.01611 -0.00946 107 2PZ 0.05703 0.03210 0.00605 0.00107 108 3S -1.21240 -2.29869 -1.01394 -3.92814 109 3PX -0.17616 -0.15606 -0.15130 -0.65375 110 3PY 0.10620 -0.32364 -0.04777 -0.64194 111 3PZ -0.15414 0.00266 0.05636 -0.74942 112 4XX 0.63451 1.02468 0.43307 0.51975 113 4YY 0.53333 1.17942 0.50581 0.59557 114 4ZZ 0.65524 1.01246 0.42354 0.54988 115 4XY -0.08113 -0.00041 -0.03830 -0.09696 116 4XZ 0.08051 -0.02239 0.03038 0.06910 117 4YZ -0.07655 -0.02105 0.00167 -0.09882 118 14 H 1S -0.01554 0.01870 0.01554 0.11007 119 2S 0.16931 0.32369 0.21109 0.09264 120 15 H 1S -0.00550 -0.02201 -0.00317 0.13586 121 2S 0.14798 0.27660 0.04655 0.15714 122 16 C 1S 0.15490 -0.29139 -0.11659 -0.17101 123 2S -0.79120 1.32777 0.58127 0.43147 124 2PX 0.05394 -0.05424 -0.04242 0.02026 125 2PY 0.02485 0.05014 0.01610 -0.00945 126 2PZ 0.05703 -0.03210 -0.00605 -0.00108 127 3S -1.21262 2.29864 1.01374 3.92820 128 3PX -0.17614 0.15607 0.15128 0.65369 129 3PY -0.10619 -0.32364 -0.04780 -0.64186 130 3PZ -0.15410 -0.00266 -0.05635 0.74959 131 4XX 0.63464 -1.02466 -0.43295 -0.51978 132 4YY 0.53353 -1.17940 -0.50572 -0.59562 133 4ZZ 0.65541 -1.01243 -0.42343 -0.54989 134 4XY 0.08113 -0.00040 -0.03830 -0.09695 135 4XZ 0.08049 0.02239 -0.03038 -0.06908 136 4YZ 0.07657 -0.02102 0.00169 -0.09883 137 17 H 1S -0.01555 -0.01870 -0.01554 -0.11008 138 2S 0.16937 -0.32371 -0.21105 -0.09260 139 18 H 1S -0.00550 0.02202 0.00317 -0.13585 140 2S 0.14801 -0.27658 -0.04652 -0.15716 141 19 O 1S -0.05013 -0.00619 -0.07061 0.14314 142 2S -0.11588 0.04399 -0.10895 0.38786 143 2PX 0.01285 0.02067 0.03438 -0.04986 144 2PY 0.01933 0.01533 0.04153 -0.05878 145 2PZ 0.01893 -0.00464 0.03697 -0.02492 146 3S 0.80735 -0.22429 1.35906 -2.85331 147 3PX -0.10599 0.10667 -0.14818 0.66254 148 3PY -0.15815 0.03383 -0.16455 0.41688 149 3PZ -0.09109 0.11113 -0.05956 0.29679 150 4XX -0.14928 -0.06136 -0.26269 0.37545 151 4YY -0.12360 -0.02453 -0.25065 0.46336 152 4ZZ -0.18357 -0.04019 -0.27994 0.50517 153 4XY -0.01555 -0.02518 -0.05487 -0.03119 154 4XZ 0.01552 -0.02932 -0.11928 -0.01066 155 4YZ -0.00834 -0.02747 -0.03855 -0.01413 156 20 O 1S -0.05012 0.00617 0.07062 -0.14314 157 2S -0.11586 -0.04403 0.10896 -0.38787 158 2PX 0.01284 -0.02066 -0.03438 0.04986 159 2PY -0.01933 0.01531 0.04153 -0.05879 160 2PZ 0.01893 0.00465 -0.03697 0.02492 161 3S 0.80726 0.22463 -1.35920 2.85334 162 3PX -0.10597 -0.10671 0.14818 -0.66254 163 3PY 0.15813 0.03387 -0.16458 0.41691 164 3PZ -0.09108 -0.11112 0.05955 -0.29677 165 4XX -0.14925 0.06128 0.26273 -0.37546 166 4YY -0.12356 0.02446 0.25068 -0.46335 167 4ZZ -0.18353 0.04010 0.27997 -0.50519 168 4XY 0.01556 -0.02518 -0.05488 -0.03118 169 4XZ 0.01551 0.02930 0.11929 0.01065 170 4YZ 0.00835 -0.02746 -0.03855 -0.01412 171 21 C 1S -0.04516 0.00001 0.00000 -0.00001 172 2S 0.21437 -0.00007 0.00002 0.00001 173 2PX 0.05543 0.00000 0.00000 0.00001 174 2PY 0.00000 0.00104 -0.02509 0.05383 175 2PZ 0.00667 0.00000 0.00000 0.00000 176 3S -0.03200 -0.00010 0.00007 0.00001 177 3PX 0.02943 0.00002 -0.00002 -0.00001 178 3PY 0.00000 -0.06126 -0.10480 0.04681 179 3PZ 0.10202 -0.00002 -0.00001 0.00002 180 4XX -0.18207 0.00005 -0.00002 -0.00002 181 4YY -0.15448 0.00005 -0.00002 -0.00002 182 4ZZ -0.17175 0.00004 -0.00001 -0.00002 183 4XY 0.00000 0.00814 -0.02061 0.02146 184 4XZ 0.00265 0.00000 0.00000 0.00000 185 4YZ 0.00000 -0.01137 0.00286 0.00296 186 22 H 1S 0.01819 0.00001 0.00000 0.00000 187 2S -0.07050 0.00002 -0.00001 -0.00001 188 23 H 1S 0.04391 0.00000 0.00000 0.00000 189 2S -0.00086 0.00000 -0.00001 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.06255 0.32755 3 2PX 0.00140 -0.00252 0.35515 4 2PY -0.00096 -0.00036 -0.00139 0.41443 5 2PZ -0.00131 -0.00543 0.03125 -0.00023 0.40211 6 3S -0.15830 0.24228 -0.00290 -0.01317 0.04226 7 3PX -0.00113 0.00315 0.21933 -0.01072 -0.03527 8 3PY -0.00251 0.01345 -0.02696 0.13648 0.00083 9 3PZ -0.00982 0.03047 -0.04209 0.01216 0.12272 10 4XX -0.01240 -0.01304 -0.00071 0.00285 0.00347 11 4YY -0.01693 -0.00310 -0.00128 -0.01322 0.00403 12 4ZZ -0.01781 -0.00166 0.00664 0.01342 -0.00166 13 4XY -0.00134 0.00254 0.00125 0.00159 0.00728 14 4XZ -0.00350 0.00743 -0.00287 0.00739 0.00687 15 4YZ -0.00175 0.00281 0.00873 0.00073 0.01435 16 2 C 1S 0.01820 -0.03656 0.01017 -0.03659 0.07344 17 2S -0.03387 0.06338 -0.01983 0.07635 -0.14774 18 2PX -0.01248 0.02889 0.18248 0.00837 -0.12423 19 2PY 0.03914 -0.07809 -0.00826 -0.05065 0.15362 20 2PZ -0.06920 0.14401 -0.15744 0.15689 -0.18244 21 3S -0.01204 0.03990 -0.00233 0.05279 -0.16228 22 3PX 0.00123 -0.00105 0.13403 -0.00030 -0.05751 23 3PY 0.01122 -0.02913 -0.01793 -0.00610 0.06277 24 3PZ -0.01450 0.03845 -0.08770 0.07190 -0.04941 25 4XX 0.00275 -0.00570 0.00647 -0.00276 0.00709 26 4YY 0.00162 -0.00337 0.00018 -0.01232 0.00174 27 4ZZ -0.00434 0.00759 -0.00511 0.00900 0.00395 28 4XY 0.00115 -0.00233 -0.00459 0.00024 0.00387 29 4XZ -0.00133 0.00236 0.01199 0.00174 -0.00221 30 4YZ 0.00435 -0.00871 0.00393 0.00305 0.00980 31 3 C 1S -0.00341 0.00805 -0.00518 -0.01241 -0.00307 32 2S 0.00799 -0.01931 0.01249 0.03302 0.00919 33 2PX 0.00013 0.00050 -0.02109 -0.00143 0.00883 34 2PY 0.01143 -0.02691 0.00683 0.03368 0.00518 35 2PZ 0.00945 -0.03038 0.01521 0.03576 0.01473 36 3S 0.00707 -0.01923 0.03007 0.02492 0.04787 37 3PX 0.00155 -0.00072 -0.03301 0.01268 0.01350 38 3PY 0.00344 -0.00954 0.01632 -0.00508 0.00176 39 3PZ 0.00614 -0.01691 0.02828 0.02794 0.01867 40 4XX 0.00018 -0.00032 -0.00004 0.00146 0.00054 41 4YY -0.00185 0.00428 0.00018 -0.00989 -0.00142 42 4ZZ 0.00103 -0.00218 -0.00229 0.00349 0.00131 43 4XY -0.00017 0.00048 0.00264 -0.00132 -0.00153 44 4XZ 0.00043 -0.00068 0.00707 0.00076 -0.00333 45 4YZ -0.00123 0.00226 -0.00037 -0.00717 -0.00061 46 4 C 1S 0.01657 -0.03200 0.00531 0.07761 -0.00241 47 2S -0.03200 0.05429 -0.00508 -0.16009 0.00890 48 2PX 0.00532 -0.00509 0.15912 0.00479 -0.06116 49 2PY -0.07761 0.16009 -0.00475 -0.31360 0.00716 50 2PZ -0.00241 0.00889 -0.06116 -0.00715 0.03633 51 3S -0.00528 0.03319 -0.06256 -0.12723 -0.01566 52 3PX 0.00336 -0.00532 0.10963 -0.00899 -0.03494 53 3PY -0.01369 0.04243 -0.01073 -0.09234 0.00475 54 3PZ 0.00238 -0.01064 -0.02031 -0.02058 0.04579 55 4XX 0.00227 -0.00499 0.00125 0.00696 0.00063 56 4YY -0.00698 0.01226 0.00003 -0.00598 -0.00110 57 4ZZ 0.00297 -0.00672 0.00035 0.01109 -0.00035 58 4XY -0.00004 0.00009 0.01330 -0.00061 0.00048 59 4XZ 0.00043 -0.00120 0.00055 0.00204 -0.00043 60 4YZ -0.00025 -0.00026 0.00001 0.00122 0.01310 61 5 H 1S -0.06047 0.11437 0.10769 0.13134 0.20428 62 2S -0.01307 0.02613 0.10363 0.11576 0.18743 63 6 H 1S 0.01228 -0.02561 -0.00303 0.04306 -0.02280 64 2S 0.01413 -0.02480 -0.01689 0.08410 -0.04848 65 7 C 1S -0.00147 0.00123 0.00411 -0.00076 -0.00342 66 2S 0.00106 -0.00455 -0.01445 0.00061 0.01439 67 2PX -0.00434 0.01454 0.01847 -0.00451 -0.02131 68 2PY 0.00049 -0.00143 -0.00664 0.00325 0.00218 69 2PZ 0.00469 -0.01529 -0.00157 0.00047 0.01566 70 3S 0.00628 0.00377 -0.02069 0.00929 -0.00712 71 3PX -0.00386 0.01646 0.02051 -0.00477 -0.03438 72 3PY 0.00121 -0.01053 0.00788 -0.00272 0.01736 73 3PZ 0.00700 -0.00538 -0.00982 0.00210 -0.00169 74 4XX -0.00017 0.00025 0.00359 -0.00040 -0.00053 75 4YY -0.00029 -0.00008 -0.00185 -0.00028 0.00138 76 4ZZ -0.00095 0.00042 0.00117 -0.00018 -0.00156 77 4XY 0.00007 0.00026 -0.00515 0.00109 0.00182 78 4XZ 0.00034 -0.00041 -0.00639 0.00051 0.00302 79 4YZ 0.00007 -0.00025 0.00503 -0.00085 -0.00227 80 8 H 1S -0.00109 0.00302 -0.02316 0.00384 0.00499 81 2S -0.00149 0.00769 -0.03343 0.00294 -0.00291 82 9 C 1S -0.00081 0.00203 0.00961 -0.00215 -0.00592 83 2S 0.00108 -0.00181 -0.02494 0.00412 0.01178 84 2PX -0.00283 0.00628 0.07962 -0.01586 -0.04181 85 2PY 0.00030 -0.00018 0.00869 -0.00475 -0.00047 86 2PZ 0.00256 -0.00486 -0.07392 0.01329 0.03685 87 3S 0.00322 -0.01717 -0.02583 0.00652 0.04043 88 3PX -0.00175 0.00019 0.07629 -0.02019 -0.03053 89 3PY 0.00071 -0.00701 0.03392 -0.00773 -0.00101 90 3PZ 0.00133 -0.00757 -0.04357 0.00502 0.03447 91 4XX -0.00011 0.00030 -0.00113 0.00025 0.00034 92 4YY -0.00013 0.00012 -0.00060 -0.00051 0.00067 93 4ZZ -0.00033 0.00043 0.00323 -0.00056 -0.00212 94 4XY -0.00019 0.00064 0.00062 -0.00022 -0.00096 95 4XZ 0.00001 -0.00032 -0.00079 -0.00004 0.00078 96 4YZ 0.00005 -0.00062 0.00010 0.00000 0.00077 97 10 H 1S -0.00026 -0.00090 0.01477 -0.00167 -0.00642 98 2S -0.00046 -0.00318 0.04093 -0.01069 -0.01043 99 11 H 1S -0.00834 0.01853 -0.00155 -0.03521 -0.00164 100 2S -0.01169 0.02553 0.00347 -0.06911 -0.01169 101 12 H 1S 0.01202 -0.02505 -0.00096 -0.03529 0.02659 102 2S 0.01331 -0.02557 -0.00975 -0.07177 0.04540 103 13 C 1S -0.00268 0.00518 -0.00449 -0.00369 -0.00385 104 2S 0.00477 -0.00902 0.01318 0.00692 0.00530 105 2PX 0.00575 -0.00901 0.01475 0.01711 0.00024 106 2PY 0.00392 -0.00924 -0.01091 -0.01170 0.02808 107 2PZ 0.00545 -0.01011 0.01766 0.01848 -0.00080 108 3S 0.01276 -0.02471 0.01193 0.02743 0.02149 109 3PX 0.00401 -0.00652 0.00231 0.02113 -0.00156 110 3PY 0.00322 -0.00783 -0.02237 -0.00754 0.02813 111 3PZ 0.00300 -0.00542 -0.00004 0.01411 0.00023 112 4XX -0.00003 0.00016 -0.00104 0.00096 0.00004 113 4YY -0.00013 0.00028 0.00171 -0.00189 0.00034 114 4ZZ -0.00007 -0.00015 -0.00005 0.00125 -0.00056 115 4XY 0.00012 -0.00054 -0.00063 0.00033 0.00079 116 4XZ 0.00034 -0.00061 0.00073 0.00126 -0.00052 117 4YZ 0.00016 -0.00069 0.00022 -0.00093 0.00099 118 14 H 1S -0.00055 0.00024 0.00220 -0.00239 -0.00167 119 2S -0.00112 0.00004 -0.00425 -0.00404 0.00328 120 15 H 1S -0.00129 0.00194 -0.00672 0.00025 -0.00058 121 2S -0.00202 0.00358 -0.02594 0.00482 0.00549 122 16 C 1S -0.00306 0.00583 -0.00800 0.00176 -0.01006 123 2S 0.00645 -0.01548 0.01868 -0.00610 0.02653 124 2PX 0.00664 -0.01796 -0.01458 -0.00155 0.04034 125 2PY 0.00144 -0.00334 0.00706 0.00385 0.00504 126 2PZ 0.01299 -0.03365 0.02312 -0.01219 0.03950 127 3S 0.00807 -0.01543 0.07166 0.00865 0.03254 128 3PX 0.00507 -0.01254 -0.00725 0.01112 0.03982 129 3PY 0.00350 -0.00783 0.01742 0.00438 0.01674 130 3PZ 0.00772 -0.01716 0.00501 -0.00144 0.02931 131 4XX 0.00040 -0.00111 0.00869 -0.00081 -0.00240 132 4YY 0.00066 -0.00161 0.00031 -0.00172 0.00373 133 4ZZ -0.00193 0.00383 -0.00968 0.00408 -0.00456 134 4XY 0.00036 -0.00095 -0.00075 -0.00158 0.00273 135 4XZ -0.00028 0.00057 -0.00042 0.00099 -0.00335 136 4YZ 0.00043 -0.00131 -0.00132 -0.00070 0.00275 137 17 H 1S -0.00765 0.01861 -0.02816 0.01506 -0.01740 138 2S -0.01117 0.02682 -0.07206 0.02254 -0.02835 139 18 H 1S 0.00146 -0.00211 0.03905 -0.00246 -0.01315 140 2S 0.00149 -0.00233 0.03686 0.00133 -0.01425 141 19 O 1S -0.00016 0.00196 0.00628 0.00032 -0.00258 142 2S 0.00099 -0.00335 -0.01491 -0.00050 0.00319 143 2PX -0.00076 0.01200 0.02456 0.00146 -0.00916 144 2PY -0.00049 0.00001 0.00756 -0.00365 -0.00455 145 2PZ -0.00063 -0.01548 -0.01403 -0.00533 -0.00171 146 3S -0.00251 -0.00867 -0.03774 -0.00003 0.02601 147 3PX 0.00044 0.00850 0.01225 0.00192 -0.00782 148 3PY 0.00028 0.00156 0.01625 -0.00301 -0.01028 149 3PZ -0.00024 -0.00918 -0.00683 -0.00427 -0.00549 150 4XX 0.00010 -0.00042 0.00075 -0.00008 -0.00040 151 4YY -0.00004 0.00018 -0.00183 0.00015 -0.00016 152 4ZZ -0.00011 0.00126 0.00155 0.00018 -0.00168 153 4XY 0.00000 -0.00055 -0.00050 -0.00025 0.00059 154 4XZ 0.00013 -0.00040 -0.00269 0.00003 0.00094 155 4YZ -0.00002 0.00061 0.00133 0.00015 -0.00008 156 20 O 1S 0.00017 -0.00032 -0.00064 -0.00007 0.00055 157 2S 0.00030 -0.00040 0.00313 -0.00067 -0.00034 158 2PX 0.00062 0.00050 -0.02007 0.00058 0.01189 159 2PY 0.00034 -0.00148 -0.00167 0.00222 -0.00108 160 2PZ -0.00118 0.00070 0.02971 -0.00332 -0.01574 161 3S -0.00277 0.00563 -0.00738 0.00387 -0.00662 162 3PX 0.00096 -0.00147 -0.01782 0.00060 0.01389 163 3PY -0.00088 0.00020 -0.00990 0.00307 0.00115 164 3PZ -0.00123 0.00051 0.03369 -0.00485 -0.01600 165 4XX 0.00038 -0.00036 -0.00242 0.00028 0.00143 166 4YY 0.00014 -0.00032 -0.00037 -0.00024 0.00065 167 4ZZ 0.00034 -0.00016 0.00314 -0.00064 -0.00098 168 4XY 0.00004 -0.00003 -0.00089 0.00007 0.00058 169 4XZ -0.00003 0.00005 -0.00067 0.00015 0.00021 170 4YZ -0.00007 -0.00007 0.00048 -0.00010 -0.00010 171 21 C 1S -0.00021 0.00037 0.00255 -0.00074 -0.00130 172 2S 0.00045 -0.00093 -0.01070 0.00231 0.00345 173 2PX -0.00019 -0.00090 0.00184 -0.00183 0.00043 174 2PY 0.00002 0.00104 0.01261 -0.00063 -0.00513 175 2PZ 0.00044 0.00038 -0.00407 -0.00065 -0.00103 176 3S 0.00163 -0.00175 -0.00664 0.00142 0.00526 177 3PX -0.00074 0.00010 -0.02492 0.00074 0.00664 178 3PY -0.00013 0.00005 0.01587 -0.00147 -0.00357 179 3PZ 0.00020 -0.00051 -0.00434 -0.00234 -0.00295 180 4XX -0.00009 -0.00044 0.00044 -0.00025 -0.00041 181 4YY 0.00010 0.00015 0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 0.00040 -0.00004 -0.00036 183 4XY 0.00002 0.00011 0.00120 -0.00009 -0.00047 184 4XZ 0.00017 0.00039 -0.00042 0.00028 0.00030 185 4YZ -0.00001 -0.00058 -0.00207 -0.00005 0.00072 186 22 H 1S 0.00050 0.00107 -0.00437 0.00073 0.00111 187 2S 0.00031 0.00287 0.01399 0.00267 -0.00045 188 23 H 1S -0.00043 -0.00223 0.00288 -0.00129 -0.00121 189 2S -0.00064 -0.00290 0.02268 -0.00476 -0.01121 6 7 8 9 10 6 3S 0.23665 7 3PX -0.00652 0.14682 8 3PY -0.00804 -0.02135 0.05806 9 3PZ 0.02201 -0.04331 0.01311 0.05819 10 4XX -0.00857 -0.00095 0.00047 0.00024 0.00073 11 4YY -0.00280 -0.00122 -0.00303 0.00086 0.00012 12 4ZZ 0.00017 0.00369 0.00273 -0.00118 0.00023 13 4XY 0.00508 -0.00039 -0.00047 0.00152 -0.00013 14 4XZ 0.00603 -0.00244 0.00263 0.00329 -0.00011 15 4YZ 0.00535 0.00323 -0.00013 0.00261 0.00002 16 2 C 1S 0.00947 -0.00716 -0.00664 0.00572 0.00197 17 2S 0.01598 0.00750 0.01372 -0.03328 -0.00391 18 2PX 0.01396 0.12104 -0.00595 -0.06024 -0.00460 19 2PY -0.09103 -0.02348 0.00957 0.05155 0.00268 20 2PZ 0.06288 -0.07217 0.08828 -0.01035 -0.00489 21 3S -0.02058 0.01949 0.00712 -0.03123 -0.00338 22 3PX 0.00534 0.08766 -0.01720 -0.03953 -0.00206 23 3PY -0.01666 -0.01808 0.00191 0.01564 0.00127 24 3PZ 0.00407 -0.04372 0.04173 0.00713 -0.00047 25 4XX -0.00163 0.00328 -0.00219 0.00056 0.00031 26 4YY -0.00546 0.00019 -0.00297 0.00071 -0.00004 27 4ZZ 0.00806 -0.00416 0.00397 0.00238 -0.00013 28 4XY -0.00182 -0.00308 -0.00027 0.00168 0.00014 29 4XZ 0.00125 0.00835 -0.00080 -0.00240 -0.00008 30 4YZ -0.00542 0.00080 -0.00012 0.00183 0.00041 31 3 C 1S -0.00219 0.00079 -0.00504 0.00764 -0.00014 32 2S -0.01801 0.00485 0.01555 -0.00396 0.00036 33 2PX -0.00516 -0.02906 0.01319 0.01655 0.00090 34 2PY -0.08499 -0.00005 0.04883 -0.00308 0.00028 35 2PZ 0.04252 -0.00316 -0.01168 -0.04323 -0.00089 36 3S -0.00699 0.00547 0.01195 0.00647 0.00071 37 3PX -0.02003 -0.02961 0.02142 0.02113 0.00118 38 3PY -0.02323 0.00540 0.00733 -0.00345 -0.00002 39 3PZ 0.02045 0.01332 -0.00761 -0.02031 -0.00014 40 4XX -0.00182 -0.00031 0.00178 0.00101 0.00010 41 4YY 0.00642 0.00066 -0.00506 -0.00003 -0.00018 42 4ZZ -0.00234 -0.00170 0.00134 -0.00003 0.00002 43 4XY 0.00039 0.00147 -0.00021 -0.00093 -0.00005 44 4XZ -0.00340 0.00530 0.00078 -0.00191 0.00005 45 4YZ 0.00410 -0.00031 -0.00249 -0.00173 -0.00020 46 4 C 1S -0.00528 0.00336 0.01369 0.00238 0.00227 47 2S 0.03319 -0.00532 -0.04242 -0.01064 -0.00499 48 2PX -0.06256 0.10963 0.01074 -0.02032 0.00125 49 2PY 0.12723 0.00900 -0.09233 0.02058 -0.00696 50 2PZ -0.01566 -0.03494 -0.00475 0.04579 0.00063 51 3S -0.00851 -0.03448 -0.01714 0.00084 -0.00356 52 3PX -0.03448 0.07523 0.00230 -0.01982 0.00082 53 3PY 0.01714 -0.00229 -0.01732 0.01293 -0.00164 54 3PZ 0.00084 -0.01982 -0.01293 0.01830 0.00020 55 4XX -0.00356 0.00081 0.00164 0.00021 0.00030 56 4YY 0.01149 0.00057 -0.00273 0.00085 -0.00045 57 4ZZ -0.00851 -0.00037 0.00483 0.00041 0.00033 58 4XY 0.00173 0.00840 -0.00185 -0.00254 -0.00007 59 4XZ -0.00212 0.00081 0.00050 -0.00078 -0.00002 60 4YZ 0.00433 -0.00212 -0.00016 0.00298 0.00010 61 5 H 1S 0.11163 0.03752 0.03855 0.06087 -0.00203 62 2S 0.05136 0.03642 0.02570 0.04161 0.00088 63 6 H 1S -0.06018 0.00164 0.01990 0.00236 0.00081 64 2S -0.06560 -0.00208 0.03592 0.00209 0.00147 65 7 C 1S 0.00181 0.00602 -0.00355 -0.00327 -0.00073 66 2S -0.00137 -0.01485 0.00374 0.01037 0.00068 67 2PX -0.02214 0.02983 0.00268 -0.00666 0.00075 68 2PY 0.01124 -0.01357 0.00680 0.00130 0.00005 69 2PZ 0.00470 -0.01379 -0.00870 0.01235 -0.00027 70 3S 0.00523 -0.02069 0.00411 0.01026 0.00014 71 3PX -0.01598 0.02878 0.00352 -0.01177 -0.00002 72 3PY -0.00057 -0.00180 -0.00221 0.00331 0.00001 73 3PZ 0.00406 -0.01374 -0.00167 0.00582 -0.00049 74 4XX -0.00201 0.00155 -0.00031 0.00088 -0.00008 75 4YY -0.00025 -0.00116 0.00011 0.00057 0.00000 76 4ZZ 0.00264 0.00164 -0.00033 -0.00229 0.00003 77 4XY -0.00148 -0.00405 0.00142 0.00286 0.00001 78 4XZ 0.00013 -0.00434 0.00108 0.00204 0.00014 79 4YZ -0.00005 0.00456 -0.00177 -0.00225 -0.00004 80 8 H 1S 0.00796 -0.01781 0.01074 0.00167 0.00048 81 2S 0.00756 -0.02038 0.01380 0.00013 0.00043 82 9 C 1S 0.00054 0.00684 0.00000 -0.00510 -0.00013 83 2S 0.00015 -0.01759 0.00211 0.00932 0.00020 84 2PX 0.01601 0.06940 -0.02336 -0.04610 -0.00029 85 2PY -0.01387 0.01267 -0.00347 -0.00077 0.00023 86 2PZ -0.01086 -0.06699 0.02405 0.03744 0.00057 87 3S -0.01583 -0.02583 0.00756 0.02020 0.00058 88 3PX 0.01134 0.06199 -0.02273 -0.03712 -0.00019 89 3PY -0.00543 0.02751 -0.00858 -0.01205 -0.00002 90 3PZ -0.00497 -0.04224 0.01208 0.02569 0.00055 91 4XX -0.00046 -0.00154 0.00065 0.00092 0.00000 92 4YY 0.00001 -0.00039 -0.00041 0.00063 0.00001 93 4ZZ 0.00080 0.00298 -0.00042 -0.00198 -0.00004 94 4XY -0.00111 0.00146 0.00024 -0.00013 0.00005 95 4XZ 0.00195 -0.00054 -0.00065 -0.00062 -0.00002 96 4YZ 0.00064 -0.00051 -0.00063 0.00050 -0.00004 97 10 H 1S 0.00977 0.01278 -0.00786 -0.00834 -0.00030 98 2S 0.01501 0.03174 -0.01639 -0.01833 -0.00041 99 11 H 1S 0.05322 0.00062 -0.03275 0.00182 -0.00046 100 2S 0.05941 0.00551 -0.04660 -0.00343 -0.00112 101 12 H 1S -0.05395 -0.00252 -0.00018 0.01405 -0.00033 102 2S -0.05132 -0.00957 -0.00649 0.02119 0.00003 103 13 C 1S 0.01311 -0.00380 -0.00348 -0.00236 -0.00035 104 2S -0.02268 0.00986 0.00517 0.00298 0.00054 105 2PX -0.06531 0.02460 0.01162 0.01822 0.00036 106 2PY -0.01718 -0.01252 -0.00780 0.01600 -0.00008 107 2PZ -0.04682 0.01384 0.02513 0.00412 0.00076 108 3S -0.06191 0.01100 0.02380 0.01167 0.00171 109 3PX -0.03593 0.00871 0.01073 0.01062 0.00035 110 3PY -0.01390 -0.01969 0.00107 0.01567 0.00006 111 3PZ -0.02411 0.00260 0.01505 0.00319 0.00046 112 4XX -0.00046 -0.00163 0.00205 0.00065 0.00006 113 4YY 0.00085 0.00143 -0.00180 0.00018 0.00000 114 4ZZ 0.00166 0.00045 -0.00058 -0.00151 -0.00007 115 4XY 0.00174 -0.00133 -0.00012 -0.00093 0.00001 116 4XZ -0.00292 0.00088 0.00124 0.00014 0.00001 117 4YZ -0.00025 0.00013 -0.00139 0.00026 0.00005 118 14 H 1S 0.01612 0.00418 -0.01296 -0.00567 -0.00017 119 2S 0.02477 -0.00014 -0.01710 -0.00732 -0.00039 120 15 H 1S 0.02356 -0.01370 0.00497 -0.00836 0.00027 121 2S 0.02297 -0.02957 0.00938 0.00074 0.00023 122 16 C 1S 0.00444 -0.00641 0.00522 -0.00358 -0.00080 123 2S -0.01030 0.01376 -0.00969 0.00673 0.00130 124 2PX 0.01306 -0.02221 -0.01513 -0.00045 0.00055 125 2PY 0.01033 0.00644 0.00586 -0.00697 0.00089 126 2PZ -0.02962 0.01983 -0.03845 0.01133 0.00258 127 3S 0.01325 0.04951 -0.02283 -0.00729 0.00150 128 3PX 0.00855 -0.01467 -0.00355 0.00516 0.00067 129 3PY -0.00848 0.01147 0.00722 -0.00016 0.00085 130 3PZ -0.00547 0.00461 -0.01771 0.00544 0.00143 131 4XX -0.00076 0.00586 -0.00178 -0.00163 -0.00001 132 4YY -0.00258 -0.00026 -0.00013 0.00133 0.00005 133 4ZZ 0.00336 -0.00567 0.00314 -0.00042 -0.00011 134 4XY 0.00144 -0.00151 -0.00105 -0.00007 0.00001 135 4XZ 0.00060 0.00016 -0.00100 -0.00128 -0.00005 136 4YZ -0.00064 -0.00078 -0.00167 0.00106 0.00009 137 17 H 1S 0.02092 -0.01982 0.02578 -0.00544 -0.00086 138 2S 0.02507 -0.04660 0.03336 -0.00233 -0.00103 139 18 H 1S -0.01502 0.03447 -0.00226 -0.00080 0.00050 140 2S -0.01376 0.02833 -0.00082 -0.00004 0.00001 141 19 O 1S 0.00144 0.00170 0.00117 -0.00120 0.00003 142 2S -0.00728 -0.00501 -0.00105 0.00430 0.00029 143 2PX -0.02296 0.00607 0.00431 0.01173 -0.00189 144 2PY -0.00489 0.01113 -0.00434 -0.00846 -0.00082 145 2PZ 0.05106 0.00745 -0.01535 -0.03939 0.00109 146 3S -0.00297 -0.01931 -0.00177 0.00850 0.00056 147 3PX -0.01867 -0.00006 0.00418 0.01153 -0.00131 148 3PY -0.00433 0.01577 -0.00375 -0.00898 -0.00067 149 3PZ 0.03327 0.00944 -0.01007 -0.02902 0.00086 150 4XX 0.00091 0.00020 -0.00041 -0.00044 -0.00003 151 4YY 0.00034 -0.00150 0.00035 0.00067 0.00004 152 4ZZ -0.00145 0.00106 0.00060 0.00020 -0.00004 153 4XY 0.00080 0.00012 -0.00034 -0.00044 0.00009 154 4XZ -0.00037 -0.00182 0.00029 0.00077 0.00007 155 4YZ -0.00217 0.00051 0.00048 0.00129 -0.00002 156 20 O 1S -0.00149 -0.00036 -0.00011 0.00205 0.00009 157 2S 0.00641 0.00155 -0.00105 -0.00568 -0.00030 158 2PX -0.00853 -0.02170 0.00217 0.01803 -0.00010 159 2PY 0.00834 -0.00126 0.00103 -0.00503 -0.00007 160 2PZ -0.01134 0.03542 0.00042 -0.01215 -0.00015 161 3S 0.00588 -0.00152 0.00014 -0.00464 -0.00071 162 3PX -0.00558 -0.02051 0.00226 0.01529 0.00000 163 3PY 0.00722 -0.00686 0.00142 -0.00110 -0.00011 164 3PZ -0.00620 0.03489 -0.00287 -0.01449 -0.00016 165 4XX -0.00044 -0.00213 0.00082 0.00124 0.00003 166 4YY 0.00061 -0.00047 -0.00010 0.00001 0.00001 167 4ZZ -0.00002 0.00210 -0.00084 -0.00107 -0.00001 168 4XY -0.00006 -0.00107 0.00008 0.00071 -0.00001 169 4XZ 0.00034 -0.00041 -0.00016 0.00001 0.00000 170 4YZ -0.00041 0.00051 0.00018 0.00003 -0.00001 171 21 C 1S 0.00095 0.00300 -0.00022 -0.00183 -0.00009 172 2S 0.00127 -0.01040 0.00173 0.00465 0.00005 173 2PX -0.00187 0.00523 -0.00230 -0.00312 -0.00001 174 2PY 0.00091 0.00692 -0.00236 -0.00256 -0.00017 175 2PZ -0.00741 -0.00286 -0.00161 0.00213 0.00037 176 3S 0.00125 -0.00937 0.00196 0.00541 0.00004 177 3PX -0.00035 -0.01783 0.00139 0.00728 -0.00007 178 3PY 0.00331 0.00998 -0.00365 -0.00533 -0.00030 179 3PZ 0.00190 0.00053 -0.00216 -0.00403 0.00023 180 4XX 0.00161 0.00123 -0.00034 -0.00156 0.00007 181 4YY -0.00058 -0.00008 0.00009 0.00036 -0.00007 182 4ZZ -0.00114 -0.00005 0.00003 0.00055 0.00000 183 4XY -0.00034 0.00088 0.00002 -0.00038 -0.00005 184 4XZ -0.00143 -0.00114 0.00035 0.00147 0.00000 185 4YZ 0.00193 -0.00131 -0.00034 -0.00071 0.00005 186 22 H 1S -0.00792 -0.00602 0.00032 0.00599 0.00017 187 2S -0.01359 0.00451 0.00105 0.00647 0.00001 188 23 H 1S 0.00698 0.00701 -0.00194 -0.00765 0.00009 189 2S 0.01046 0.02740 -0.00599 -0.02104 0.00027 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00055 0.00110 13 4XY -0.00010 0.00021 0.00077 14 4XZ -0.00028 0.00017 0.00002 0.00070 15 4YZ -0.00006 0.00015 0.00032 0.00039 0.00134 16 2 C 1S 0.00121 -0.00362 0.00128 -0.00125 0.00482 17 2S -0.00333 0.00683 -0.00250 0.00243 -0.00896 18 2PX -0.00045 0.00425 0.00552 -0.00985 -0.00406 19 2PY 0.01327 -0.00905 -0.00056 -0.00317 -0.00230 20 2PZ -0.00352 -0.00331 -0.00434 0.00244 -0.00890 21 3S -0.00245 0.00650 -0.00289 -0.00010 -0.01073 22 3PX -0.00142 0.00442 0.00489 -0.00561 -0.00132 23 3PY 0.00390 -0.00289 0.00013 0.00002 -0.00060 24 3PZ -0.00120 -0.00262 -0.00337 0.00237 -0.00332 25 4XX -0.00012 0.00007 0.00022 -0.00014 0.00052 26 4YY 0.00096 -0.00069 -0.00013 -0.00045 -0.00038 27 4ZZ -0.00047 0.00016 0.00017 0.00046 0.00038 28 4XY 0.00005 -0.00002 0.00001 0.00021 -0.00005 29 4XZ -0.00026 0.00040 -0.00009 0.00017 0.00030 30 4YZ -0.00008 0.00031 0.00014 0.00007 0.00039 31 3 C 1S -0.00101 -0.00001 -0.00018 -0.00027 -0.00211 32 2S 0.00208 -0.00008 0.00030 0.00062 0.00444 33 2PX 0.00238 -0.00204 -0.00905 0.00203 0.00466 34 2PY 0.00429 -0.00059 -0.00091 0.00086 0.00633 35 2PZ 0.00262 0.00258 0.00719 0.00004 0.00605 36 3S 0.00177 0.00061 0.00034 0.00094 0.00699 37 3PX 0.00133 -0.00192 -0.00702 0.00233 0.00236 38 3PY 0.00120 0.00061 -0.00063 0.00008 0.00322 39 3PZ -0.00025 0.00243 0.00475 0.00025 0.00245 40 4XX -0.00014 0.00001 -0.00025 0.00002 -0.00016 41 4YY -0.00003 -0.00025 -0.00002 -0.00012 -0.00015 42 4ZZ 0.00017 0.00009 0.00023 -0.00001 -0.00012 43 4XY 0.00007 0.00001 -0.00017 -0.00005 0.00015 44 4XZ 0.00008 -0.00001 -0.00047 0.00007 0.00009 45 4YZ 0.00038 -0.00028 0.00009 -0.00005 0.00029 46 4 C 1S -0.00698 0.00297 0.00005 0.00043 0.00025 47 2S 0.01226 -0.00672 -0.00010 -0.00120 0.00026 48 2PX 0.00002 0.00035 -0.01330 0.00055 -0.00001 49 2PY 0.00598 -0.01109 -0.00062 -0.00204 0.00122 50 2PZ -0.00110 -0.00034 -0.00048 -0.00042 -0.01310 51 3S 0.01149 -0.00851 -0.00173 -0.00212 -0.00433 52 3PX 0.00057 -0.00037 -0.00840 0.00081 0.00212 53 3PY 0.00273 -0.00483 -0.00185 -0.00050 -0.00016 54 3PZ 0.00085 0.00041 0.00254 -0.00078 -0.00298 55 4XX -0.00045 0.00033 0.00007 -0.00002 -0.00010 56 4YY -0.00015 -0.00011 0.00013 0.00013 -0.00006 57 4ZZ -0.00011 0.00033 -0.00030 0.00007 0.00003 58 4XY -0.00013 0.00030 0.00034 -0.00017 0.00044 59 4XZ 0.00013 0.00007 0.00017 0.00000 -0.00026 60 4YZ 0.00006 -0.00003 0.00044 0.00026 0.00091 61 5 H 1S -0.00398 0.00567 0.00596 0.00815 0.01198 62 2S -0.00348 0.00600 0.00552 0.00608 0.01152 63 6 H 1S 0.00187 0.00087 -0.00413 -0.00003 -0.00776 64 2S -0.00152 0.00200 -0.00450 0.00047 -0.00806 65 7 C 1S -0.00019 -0.00079 -0.00064 0.00042 0.00008 66 2S -0.00014 0.00054 0.00110 -0.00088 -0.00014 67 2PX 0.00203 -0.00379 -0.00483 0.00371 0.00084 68 2PY -0.00055 0.00138 0.00092 -0.00057 -0.00005 69 2PZ -0.00171 0.00331 0.00453 -0.00410 -0.00075 70 3S -0.00167 0.00223 0.00139 -0.00138 -0.00157 71 3PX 0.00135 -0.00275 -0.00429 0.00247 -0.00006 72 3PY 0.00028 0.00112 0.00220 -0.00125 0.00037 73 3PZ -0.00116 0.00202 0.00254 -0.00261 -0.00142 74 4XX 0.00002 0.00034 0.00016 -0.00009 0.00004 75 4YY 0.00008 -0.00010 -0.00001 0.00003 -0.00002 76 4ZZ -0.00005 -0.00020 -0.00016 0.00007 0.00003 77 4XY -0.00003 0.00001 -0.00002 0.00001 0.00002 78 4XZ 0.00004 -0.00024 -0.00009 0.00012 -0.00001 79 4YZ -0.00001 -0.00005 0.00005 -0.00003 -0.00003 80 8 H 1S 0.00024 -0.00076 -0.00114 0.00097 0.00011 81 2S 0.00047 -0.00211 -0.00285 0.00166 -0.00013 82 9 C 1S -0.00010 0.00004 0.00000 0.00007 -0.00005 83 2S 0.00011 -0.00016 0.00028 -0.00010 -0.00032 84 2PX 0.00035 -0.00074 -0.00042 0.00113 -0.00001 85 2PY 0.00051 -0.00118 -0.00071 0.00026 0.00007 86 2PZ -0.00016 0.00058 -0.00046 -0.00087 0.00003 87 3S 0.00130 -0.00033 0.00078 -0.00070 0.00103 88 3PX 0.00030 -0.00036 -0.00031 0.00039 0.00091 89 3PY 0.00056 -0.00039 0.00069 -0.00028 0.00071 90 3PZ 0.00012 0.00040 0.00021 -0.00058 0.00087 91 4XX 0.00004 0.00008 -0.00016 0.00003 0.00005 92 4YY 0.00000 0.00000 0.00008 -0.00003 -0.00004 93 4ZZ -0.00003 -0.00006 -0.00002 0.00005 0.00001 94 4XY 0.00008 -0.00023 -0.00031 0.00019 0.00002 95 4XZ -0.00006 0.00007 0.00031 -0.00005 -0.00011 96 4YZ -0.00008 0.00020 0.00030 -0.00021 -0.00004 97 10 H 1S -0.00033 0.00053 0.00141 -0.00031 -0.00024 98 2S -0.00052 0.00087 0.00233 -0.00077 0.00015 99 11 H 1S -0.00128 -0.00063 0.00001 -0.00045 -0.00187 100 2S -0.00111 -0.00081 0.00060 -0.00118 -0.00241 101 12 H 1S 0.00812 -0.00390 -0.00110 -0.00251 -0.00540 102 2S 0.00887 -0.00647 -0.00127 -0.00294 -0.00316 103 13 C 1S -0.00016 0.00006 0.00019 -0.00011 0.00014 104 2S 0.00029 -0.00012 -0.00042 0.00015 -0.00067 105 2PX -0.00029 0.00036 0.00099 -0.00019 -0.00117 106 2PY 0.00184 -0.00130 0.00100 -0.00036 0.00007 107 2PZ -0.00088 0.00025 -0.00074 0.00048 -0.00095 108 3S 0.00200 -0.00190 -0.00316 0.00127 -0.00103 109 3PX -0.00052 0.00053 0.00054 -0.00016 -0.00135 110 3PY 0.00223 -0.00173 0.00070 -0.00043 0.00022 111 3PZ -0.00037 -0.00022 -0.00025 0.00036 -0.00098 112 4XX 0.00001 -0.00005 -0.00043 0.00007 0.00011 113 4YY -0.00009 0.00003 0.00006 -0.00001 -0.00010 114 4ZZ 0.00003 0.00008 0.00040 -0.00004 0.00011 115 4XY -0.00007 0.00016 -0.00004 0.00014 0.00020 116 4XZ 0.00004 -0.00002 0.00000 0.00002 0.00009 117 4YZ -0.00002 0.00011 -0.00006 0.00013 0.00019 118 14 H 1S 0.00009 0.00061 0.00118 -0.00007 0.00062 119 2S -0.00011 0.00099 0.00307 -0.00015 0.00105 120 15 H 1S -0.00023 0.00005 -0.00205 0.00071 0.00073 121 2S -0.00045 0.00039 -0.00214 0.00074 0.00096 122 16 C 1S 0.00084 -0.00123 0.00009 -0.00097 -0.00088 123 2S -0.00166 0.00202 -0.00010 0.00212 0.00188 124 2PX -0.00297 0.00498 -0.00083 0.00441 0.00293 125 2PY -0.00122 0.00142 -0.00141 0.00173 0.00218 126 2PZ -0.00318 0.00489 -0.00066 0.00494 0.00269 127 3S -0.00463 0.00425 0.00151 0.00276 0.00347 128 3PX -0.00173 0.00267 0.00010 0.00257 0.00249 129 3PY 0.00016 0.00012 -0.00119 0.00113 0.00223 130 3PZ -0.00177 0.00200 0.00006 0.00265 0.00177 131 4XX -0.00013 0.00034 0.00024 -0.00028 0.00002 132 4YY 0.00035 -0.00027 -0.00006 -0.00006 -0.00004 133 4ZZ -0.00012 -0.00016 -0.00026 0.00023 -0.00020 134 4XY 0.00008 0.00007 -0.00006 0.00010 0.00004 135 4XZ -0.00025 0.00033 -0.00008 0.00020 -0.00006 136 4YZ 0.00006 0.00005 -0.00005 0.00018 0.00002 137 17 H 1S 0.00025 -0.00164 -0.00076 -0.00061 -0.00052 138 2S 0.00042 -0.00286 -0.00152 -0.00015 -0.00176 139 18 H 1S 0.00001 -0.00025 0.00095 -0.00152 -0.00018 140 2S 0.00008 0.00050 0.00209 -0.00261 -0.00057 141 19 O 1S 0.00028 0.00067 0.00019 -0.00018 -0.00005 142 2S -0.00039 -0.00127 -0.00052 0.00032 -0.00006 143 2PX 0.00082 0.00346 0.00193 -0.00084 -0.00022 144 2PY -0.00040 -0.00045 0.00018 0.00034 -0.00009 145 2PZ -0.00148 -0.00451 -0.00238 0.00090 -0.00001 146 3S -0.00028 -0.00241 -0.00047 0.00121 0.00080 147 3PX 0.00044 0.00271 0.00153 -0.00093 -0.00048 148 3PY -0.00032 -0.00014 -0.00013 0.00014 -0.00010 149 3PZ -0.00085 -0.00364 -0.00237 0.00098 0.00000 150 4XX -0.00010 0.00012 0.00017 -0.00017 -0.00007 151 4YY 0.00003 0.00001 -0.00003 -0.00002 -0.00007 152 4ZZ 0.00006 0.00005 -0.00013 0.00009 0.00001 153 4XY -0.00003 -0.00014 -0.00008 0.00003 0.00004 154 4XZ 0.00002 -0.00007 -0.00003 0.00004 -0.00001 155 4YZ 0.00009 0.00013 0.00005 0.00001 0.00001 156 20 O 1S 0.00005 -0.00009 -0.00039 -0.00001 0.00016 157 2S -0.00012 0.00025 0.00091 -0.00006 -0.00020 158 2PX 0.00069 0.00045 -0.00128 -0.00034 0.00087 159 2PY -0.00036 0.00042 0.00035 -0.00013 -0.00017 160 2PZ -0.00069 -0.00152 0.00076 0.00058 -0.00064 161 3S -0.00057 0.00027 0.00184 -0.00001 -0.00139 162 3PX 0.00055 0.00055 -0.00063 -0.00044 0.00081 163 3PY -0.00039 0.00036 0.00066 -0.00009 -0.00040 164 3PZ -0.00043 -0.00104 0.00052 0.00047 -0.00035 165 4XX 0.00000 -0.00003 -0.00005 -0.00001 0.00004 166 4YY 0.00000 0.00003 0.00008 -0.00003 0.00002 167 4ZZ 0.00005 0.00005 -0.00003 -0.00001 0.00007 168 4XY 0.00002 0.00004 -0.00002 -0.00001 0.00004 169 4XZ -0.00001 0.00003 0.00012 0.00000 -0.00004 170 4YZ -0.00004 -0.00001 0.00008 -0.00002 -0.00002 171 21 C 1S 0.00002 -0.00012 -0.00007 0.00017 0.00003 172 2S -0.00008 0.00036 0.00038 -0.00037 -0.00012 173 2PX -0.00020 -0.00074 -0.00013 0.00031 -0.00002 174 2PY 0.00003 0.00072 0.00085 -0.00048 -0.00029 175 2PZ 0.00024 -0.00003 0.00004 0.00002 -0.00005 176 3S -0.00007 0.00060 0.00040 -0.00059 -0.00008 177 3PX 0.00005 -0.00013 0.00075 -0.00011 -0.00037 178 3PY -0.00019 0.00076 0.00114 -0.00051 -0.00010 179 3PZ -0.00008 -0.00071 -0.00007 0.00021 -0.00013 180 4XX -0.00006 -0.00019 -0.00006 0.00005 -0.00002 181 4YY 0.00001 0.00006 0.00001 -0.00003 0.00001 182 4ZZ 0.00006 0.00007 -0.00001 0.00000 0.00002 183 4XY -0.00001 0.00007 0.00009 -0.00002 -0.00002 184 4XZ 0.00009 0.00016 0.00003 -0.00003 0.00001 185 4YZ -0.00002 -0.00013 -0.00014 0.00003 0.00003 186 22 H 1S 0.00029 0.00050 0.00017 -0.00018 0.00001 187 2S 0.00042 0.00117 -0.00023 -0.00015 0.00039 188 23 H 1S -0.00041 -0.00097 -0.00025 0.00031 -0.00007 189 2S -0.00060 -0.00197 -0.00113 0.00088 0.00011 16 17 18 19 20 16 2 C 1S 2.05493 17 2S -0.06108 0.32600 18 2PX -0.00137 -0.00135 0.34895 19 2PY -0.00186 -0.00372 0.01259 0.41139 20 2PZ -0.00409 0.00570 0.03323 -0.01965 0.39186 21 3S -0.19677 0.28869 0.04142 0.00160 0.00462 22 3PX -0.00513 0.00814 0.20157 -0.02642 -0.03981 23 3PY 0.00719 0.00824 -0.02145 0.13270 -0.01204 24 3PZ 0.00797 -0.01693 -0.04362 0.00316 0.16555 25 4XX -0.01165 -0.01268 0.00008 -0.00550 -0.00825 26 4YY -0.01845 0.00165 0.00442 0.02175 -0.00237 27 4ZZ -0.01376 -0.00746 -0.00382 -0.00996 0.00779 28 4XY -0.00144 0.00305 -0.00713 0.00232 -0.00298 29 4XZ -0.00268 0.00572 0.00067 -0.00586 -0.00628 30 4YZ 0.00106 -0.00231 -0.00357 0.00096 -0.01163 31 3 C 1S -0.00459 0.00658 0.00371 -0.01012 -0.00313 32 2S 0.00658 -0.01954 -0.00846 0.02795 0.01041 33 2PX 0.00371 -0.00845 -0.10394 0.02503 0.03146 34 2PY 0.01012 -0.02795 -0.02504 0.03608 0.01683 35 2PZ -0.00313 0.01042 0.03147 -0.01683 -0.05690 36 3S 0.02760 -0.02935 -0.01388 0.03316 -0.02657 37 3PX 0.00343 -0.00831 -0.09452 0.02860 0.04064 38 3PY 0.01020 -0.00626 -0.00785 -0.01048 -0.02201 39 3PZ -0.00253 0.00977 0.02867 -0.01664 -0.04661 40 4XX -0.00044 -0.00028 -0.00117 0.00089 0.00130 41 4YY -0.00079 0.00055 0.00141 -0.00117 -0.00177 42 4ZZ -0.00044 -0.00001 0.00073 0.00036 0.00002 43 4XY -0.00018 0.00039 0.00017 -0.00082 -0.00109 44 4XZ 0.00002 0.00047 -0.00135 -0.00009 0.00096 45 4YZ 0.00037 -0.00055 -0.00099 0.00066 -0.00217 46 4 C 1S -0.00341 0.00799 0.00013 -0.01143 0.00945 47 2S 0.00805 -0.01931 0.00049 0.02691 -0.03038 48 2PX -0.00518 0.01249 -0.02109 -0.00684 0.01522 49 2PY 0.01241 -0.03302 0.00143 0.03368 -0.03576 50 2PZ -0.00307 0.00919 0.00883 -0.00518 0.01473 51 3S -0.00219 -0.01801 -0.00517 0.08499 0.04252 52 3PX 0.00079 0.00485 -0.02906 0.00005 -0.00316 53 3PY 0.00504 -0.01555 -0.01320 0.04884 0.01168 54 3PZ 0.00764 -0.00396 0.01656 0.00308 -0.04323 55 4XX -0.00014 0.00036 0.00090 -0.00028 -0.00088 56 4YY -0.00100 0.00208 0.00238 -0.00428 0.00262 57 4ZZ -0.00001 -0.00008 -0.00204 0.00059 0.00258 58 4XY 0.00018 -0.00030 0.00905 -0.00091 -0.00719 59 4XZ -0.00027 0.00062 0.00203 -0.00086 0.00005 60 4YZ 0.00211 -0.00444 -0.00466 0.00633 -0.00605 61 5 H 1S 0.01303 -0.02811 -0.00994 0.00381 -0.04387 62 2S 0.01856 -0.03297 -0.02491 -0.00037 -0.09600 63 6 H 1S -0.00745 0.01733 -0.00073 -0.01536 0.03355 64 2S -0.01207 0.02472 -0.00396 -0.03065 0.06995 65 7 C 1S -0.00178 0.00203 -0.01015 0.00432 0.00361 66 2S 0.00088 -0.01175 0.01512 -0.00318 -0.00713 67 2PX 0.00337 -0.00217 -0.09618 0.03273 0.05345 68 2PY 0.00036 -0.00341 0.02837 -0.01781 -0.01151 69 2PZ -0.00708 0.00896 0.08499 -0.02216 -0.05580 70 3S 0.01627 -0.00058 0.03825 -0.03810 0.00095 71 3PX -0.00364 0.00783 -0.05824 0.02307 0.04996 72 3PY -0.00002 -0.00570 0.03775 0.00624 -0.02707 73 3PZ 0.00155 0.00701 0.05986 -0.01613 -0.01994 74 4XX -0.00145 0.00260 0.00450 -0.00217 -0.00488 75 4YY -0.00025 -0.00060 -0.00146 0.00225 0.00099 76 4ZZ -0.00002 -0.00077 -0.00198 0.00006 0.00252 77 4XY 0.00060 -0.00158 -0.00189 -0.00082 0.00154 78 4XZ 0.00108 -0.00262 -0.00601 0.00199 0.00294 79 4YZ -0.00072 0.00176 0.00142 0.00062 -0.00120 80 8 H 1S 0.00589 -0.01361 -0.02038 0.00124 0.02040 81 2S 0.00655 -0.01226 -0.04793 0.01064 0.04126 82 9 C 1S -0.00087 0.00340 0.00345 -0.00462 -0.00223 83 2S 0.00284 -0.00361 -0.00871 0.00685 0.00600 84 2PX -0.00614 0.01795 0.00239 -0.00664 -0.00500 85 2PY 0.00131 -0.00281 -0.01762 0.01472 0.00876 86 2PZ 0.00598 -0.01530 -0.01206 0.00694 0.00835 87 3S -0.00273 -0.01790 -0.00114 0.04084 -0.00819 88 3PX -0.00469 0.01285 0.00853 -0.00807 -0.02081 89 3PY -0.00257 -0.00144 0.01041 0.01209 -0.01393 90 3PZ 0.00230 -0.01589 -0.00856 0.00736 -0.00722 91 4XX -0.00010 0.00008 -0.00067 -0.00035 0.00020 92 4YY 0.00014 -0.00011 0.00040 0.00008 -0.00049 93 4ZZ -0.00016 0.00093 -0.00007 -0.00083 -0.00005 94 4XY 0.00029 -0.00009 -0.00546 0.00217 0.00308 95 4XZ -0.00012 0.00031 0.00234 -0.00092 -0.00171 96 4YZ -0.00042 0.00030 0.00522 -0.00158 -0.00311 97 10 H 1S -0.00232 0.00538 0.01953 -0.00854 -0.01188 98 2S -0.00405 0.00722 0.03565 -0.01617 -0.03080 99 11 H 1S -0.00248 0.00754 0.00732 -0.00905 -0.00837 100 2S -0.00361 0.01354 0.02064 -0.02463 -0.02720 101 12 H 1S -0.05974 0.11313 0.03567 0.26354 -0.01522 102 2S -0.01318 0.02654 0.02583 0.24292 0.00121 103 13 C 1S -0.00188 0.00452 -0.00258 -0.00947 -0.00507 104 2S 0.00482 -0.00915 0.01152 0.01815 0.01179 105 2PX 0.00233 -0.01074 0.01516 0.00543 0.01074 106 2PY 0.01008 -0.02605 0.02638 0.03533 0.01527 107 2PZ 0.00332 -0.00980 0.00895 0.00623 0.01169 108 3S -0.00249 -0.01275 -0.02497 0.07999 0.03943 109 3PX -0.00056 -0.00525 0.01174 0.00078 0.01384 110 3PY 0.00694 -0.02183 0.01114 0.05358 0.01822 111 3PZ -0.00008 -0.00677 0.00008 0.00805 0.01469 112 4XX 0.00016 -0.00042 -0.00365 0.00128 0.00196 113 4YY -0.00049 0.00081 0.00065 -0.00189 -0.00247 114 4ZZ -0.00026 0.00065 0.00200 -0.00081 -0.00116 115 4XY -0.00116 0.00266 -0.00330 -0.00360 -0.00442 116 4XZ 0.00026 -0.00086 0.00015 0.00083 0.00124 117 4YZ -0.00106 0.00215 -0.00485 -0.00279 -0.00362 118 14 H 1S -0.00412 0.01082 -0.00465 -0.01090 -0.01587 119 2S -0.00541 0.01200 -0.00031 -0.02098 -0.02861 120 15 H 1S -0.00199 0.00839 -0.02437 -0.00437 -0.00381 121 2S -0.00264 0.00790 -0.03233 -0.01229 -0.00476 122 16 C 1S 0.01244 -0.02357 0.03607 0.02998 0.04416 123 2S -0.02396 0.03949 -0.07420 -0.05501 -0.09016 124 2PX -0.04790 0.10348 -0.10581 -0.09324 -0.15608 125 2PY -0.02375 0.04948 -0.08845 -0.03187 -0.07091 126 2PZ -0.04592 0.09405 -0.13905 -0.08291 -0.13091 127 3S 0.00574 0.02217 -0.05714 -0.11779 -0.11982 128 3PX -0.00940 0.03227 -0.05669 -0.04712 -0.07740 129 3PY -0.00508 0.00884 -0.04983 0.00331 -0.03350 130 3PZ -0.00844 0.03021 -0.07258 -0.04276 -0.05937 131 4XX -0.00124 0.00156 0.00791 -0.00281 -0.00508 132 4YY 0.00066 -0.00218 0.00160 0.00988 0.00164 133 4ZZ -0.00153 0.00225 -0.00636 -0.00273 0.00848 134 4XY -0.00307 0.00570 -0.00321 0.00243 -0.00650 135 4XZ -0.00455 0.00898 -0.00380 -0.00623 -0.00419 136 4YZ -0.00296 0.00534 -0.00633 0.00254 -0.00393 137 17 H 1S 0.00836 -0.01923 0.00781 0.00216 0.03479 138 2S 0.01324 -0.02578 -0.00586 0.01065 0.08286 139 18 H 1S 0.00784 -0.02317 0.02370 0.00466 0.01466 140 2S 0.01198 -0.02844 0.06285 0.00792 0.01757 141 19 O 1S -0.00086 0.00337 0.01007 -0.00120 -0.00238 142 2S 0.00268 -0.00668 -0.02195 0.00203 0.00742 143 2PX -0.00889 0.01757 0.06629 -0.01290 -0.02473 144 2PY 0.00038 0.00094 0.00085 -0.00424 -0.00146 145 2PZ 0.00866 -0.01317 -0.06210 0.01558 0.02921 146 3S 0.00061 -0.01746 -0.05591 0.00874 0.00523 147 3PX -0.00484 0.01409 0.05227 -0.01129 -0.01698 148 3PY -0.00011 0.00345 0.00650 -0.00475 -0.00072 149 3PZ 0.00749 -0.00983 -0.05298 0.01507 0.02888 150 4XX -0.00003 0.00044 0.00442 -0.00134 -0.00168 151 4YY 0.00025 0.00059 -0.00045 0.00067 0.00094 152 4ZZ 0.00030 0.00092 -0.00040 -0.00037 0.00115 153 4XY 0.00038 -0.00095 -0.00295 0.00044 0.00067 154 4XZ 0.00027 -0.00084 -0.00236 0.00032 0.00077 155 4YZ -0.00036 0.00061 0.00133 0.00013 -0.00079 156 20 O 1S 0.00002 -0.00145 -0.00291 0.00133 0.00101 157 2S -0.00038 0.00284 0.00860 -0.00304 -0.00527 158 2PX 0.00122 -0.00718 -0.00223 0.00519 0.00202 159 2PY -0.00050 0.00170 0.00768 -0.00657 -0.00397 160 2PZ -0.00102 0.00620 -0.00800 0.00389 0.00418 161 3S 0.00101 0.00704 0.01489 -0.00945 0.00560 162 3PX 0.00035 -0.00720 0.00157 0.00442 -0.00312 163 3PY -0.00002 0.00141 0.00583 -0.00675 -0.00124 164 3PZ -0.00184 0.00706 -0.00302 0.00182 -0.00072 165 4XX 0.00036 -0.00081 -0.00128 0.00060 0.00032 166 4YY -0.00018 -0.00013 0.00076 0.00003 -0.00104 167 4ZZ -0.00033 0.00024 0.00126 -0.00029 -0.00124 168 4XY -0.00006 -0.00026 0.00034 -0.00010 -0.00031 169 4XZ -0.00003 0.00020 0.00061 -0.00015 -0.00021 170 4YZ -0.00003 0.00005 0.00071 -0.00019 -0.00044 171 21 C 1S 0.00027 0.00024 -0.00298 0.00030 0.00114 172 2S -0.00037 -0.00033 0.00788 -0.00138 -0.00187 173 2PX 0.00136 -0.00248 -0.01145 0.00154 0.00334 174 2PY -0.00231 0.00450 0.02132 -0.00325 -0.00770 175 2PZ -0.00019 0.00111 -0.00274 0.00073 0.00114 176 3S -0.00011 -0.00143 0.01460 -0.00083 -0.00542 177 3PX 0.00091 -0.00222 -0.00299 0.00133 0.00394 178 3PY -0.00177 0.00297 0.02402 -0.00634 -0.01165 179 3PZ 0.00031 -0.00114 -0.01039 0.00087 0.00566 180 4XX 0.00038 -0.00037 -0.00278 0.00051 0.00110 181 4YY -0.00008 0.00011 0.00156 -0.00022 -0.00039 182 4ZZ -0.00012 0.00031 0.00053 -0.00017 -0.00010 183 4XY -0.00018 0.00052 0.00176 -0.00062 -0.00084 184 4XZ -0.00032 0.00043 0.00163 -0.00015 -0.00077 185 4YZ 0.00046 -0.00087 -0.00279 0.00053 0.00119 186 22 H 1S -0.00090 0.00132 0.00532 -0.00104 -0.00240 187 2S -0.00194 0.00386 0.01248 -0.00334 -0.00851 188 23 H 1S 0.00153 -0.00249 -0.01279 0.00197 0.00486 189 2S 0.00193 -0.00161 -0.02778 0.00339 0.00985 21 22 23 24 25 21 3S 0.29353 22 3PX 0.03134 0.13459 23 3PY -0.00441 -0.02086 0.05435 24 3PZ -0.02128 -0.05105 0.00139 0.08688 25 4XX -0.01007 0.00215 -0.00209 -0.00293 0.00127 26 4YY 0.00408 0.00070 0.00642 -0.00124 -0.00040 27 4ZZ -0.00795 -0.00300 -0.00273 0.00383 0.00022 28 4XY 0.00191 -0.00336 0.00167 0.00000 -0.00012 29 4XZ 0.00466 0.00247 -0.00207 -0.00273 0.00009 30 4YZ -0.00247 -0.00016 0.00083 -0.00367 0.00033 31 3 C 1S 0.02760 0.00343 -0.01020 -0.00253 -0.00044 32 2S -0.02935 -0.00831 0.00626 0.00977 -0.00028 33 2PX -0.01388 -0.09451 0.00785 0.02866 -0.00117 34 2PY -0.03316 -0.02861 -0.01048 0.01664 -0.00089 35 2PZ -0.02656 0.04064 0.02201 -0.04662 0.00130 36 3S -0.04354 -0.01187 0.00696 -0.00803 0.00016 37 3PX -0.01187 -0.08214 0.00690 0.03537 -0.00162 38 3PY -0.00697 -0.00689 -0.01224 -0.00961 0.00008 39 3PZ -0.00803 0.03537 0.00961 -0.03040 0.00069 40 4XX 0.00016 -0.00162 -0.00008 0.00069 0.00004 41 4YY 0.00058 0.00113 0.00026 -0.00130 -0.00005 42 4ZZ 0.00039 0.00100 0.00042 0.00006 0.00011 43 4XY 0.00049 -0.00039 -0.00061 -0.00089 0.00008 44 4XZ 0.00045 -0.00136 -0.00046 0.00148 -0.00005 45 4YZ -0.00199 -0.00057 0.00084 -0.00190 0.00002 46 4 C 1S 0.00706 0.00155 -0.00344 0.00614 0.00018 47 2S -0.01922 -0.00072 0.00954 -0.01691 -0.00032 48 2PX 0.03006 -0.03301 -0.01632 0.02829 -0.00004 49 2PY -0.02491 -0.01268 -0.00508 -0.02793 -0.00146 50 2PZ 0.04787 0.01350 -0.00176 0.01867 0.00054 51 3S -0.00699 -0.02003 0.02323 0.02045 -0.00182 52 3PX 0.00546 -0.02961 -0.00540 0.01332 -0.00031 53 3PY -0.01195 -0.02142 0.00733 0.00761 -0.00178 54 3PZ 0.00648 0.02114 0.00345 -0.02031 0.00101 55 4XX 0.00071 0.00118 0.00002 -0.00014 0.00010 56 4YY 0.00177 0.00133 -0.00120 -0.00025 -0.00014 57 4ZZ 0.00061 -0.00192 -0.00061 0.00243 0.00001 58 4XY -0.00034 0.00702 -0.00063 -0.00475 0.00025 59 4XZ 0.00094 0.00233 -0.00008 0.00025 0.00002 60 4YZ -0.00699 -0.00236 0.00322 -0.00245 0.00016 61 5 H 1S -0.05137 0.00537 0.00706 -0.01815 0.00274 62 2S -0.05570 0.00627 0.00967 -0.03605 0.00426 63 6 H 1S 0.03976 -0.00069 -0.00619 0.02891 -0.00008 64 2S 0.04600 -0.00681 -0.01435 0.04556 -0.00094 65 7 C 1S 0.00643 0.00004 0.00140 0.00539 -0.00117 66 2S -0.00116 0.00216 -0.00541 -0.00889 0.00203 67 2PX 0.00328 -0.06339 0.00958 0.04567 -0.00413 68 2PY -0.00310 0.01665 0.00035 -0.02345 0.00259 69 2PZ 0.03656 0.06052 -0.02168 -0.04285 0.00356 70 3S 0.01385 0.01594 -0.01742 -0.01387 0.00247 71 3PX 0.00397 -0.04196 0.00784 0.03718 -0.00353 72 3PY -0.00071 0.02789 -0.00033 -0.02218 0.00196 73 3PZ 0.01977 0.03872 -0.01251 -0.02313 0.00187 74 4XX 0.00639 0.00377 -0.00275 -0.00391 -0.00016 75 4YY -0.00161 -0.00109 0.00074 0.00119 -0.00007 76 4ZZ -0.00388 -0.00145 0.00224 0.00186 0.00014 77 4XY 0.00038 -0.00156 -0.00189 0.00098 0.00005 78 4XZ -0.00235 -0.00458 0.00115 0.00211 0.00007 79 4YZ 0.00168 0.00232 0.00026 0.00021 -0.00008 80 8 H 1S -0.02748 -0.02254 0.01069 0.00693 0.00073 81 2S -0.03276 -0.04294 0.01625 0.02357 -0.00068 82 9 C 1S -0.00191 0.00291 0.00119 -0.00259 0.00024 83 2S -0.00263 -0.00729 0.00026 0.00498 -0.00030 84 2PX -0.00497 0.01484 0.01266 0.00067 -0.00127 85 2PY -0.00301 -0.01430 -0.00281 0.01855 -0.00119 86 2PZ -0.00919 -0.02573 -0.00905 -0.00178 0.00139 87 3S -0.00974 -0.00298 0.00290 -0.00038 0.00013 88 3PX -0.00119 0.01711 0.00775 -0.00678 -0.00033 89 3PY -0.00634 0.01234 0.00361 -0.00139 0.00014 90 3PZ -0.00801 -0.01411 -0.00454 -0.00698 0.00142 91 4XX 0.00043 -0.00098 -0.00086 -0.00015 -0.00003 92 4YY 0.00088 0.00024 -0.00030 -0.00009 0.00002 93 4ZZ -0.00051 0.00054 0.00100 -0.00011 0.00000 94 4XY 0.00001 -0.00373 0.00080 0.00275 -0.00022 95 4XZ -0.00077 0.00234 0.00078 -0.00178 0.00009 96 4YZ 0.00202 0.00404 -0.00121 -0.00259 0.00017 97 10 H 1S 0.00796 0.02138 0.00249 -0.01045 0.00033 98 2S 0.00730 0.03644 0.00298 -0.02163 0.00129 99 11 H 1S 0.00683 0.00885 0.00887 -0.00707 0.00003 100 2S 0.01579 0.02052 0.00300 -0.01990 0.00000 101 12 H 1S 0.11156 0.00248 0.08502 -0.01080 -0.00811 102 2S 0.03260 -0.00816 0.07297 0.00333 -0.00547 103 13 C 1S 0.00063 -0.00005 -0.00297 -0.00497 0.00045 104 2S -0.00690 0.00391 0.00873 0.00965 -0.00095 105 2PX 0.01494 0.01466 -0.02170 0.02705 -0.00047 106 2PY -0.02631 0.01499 0.01261 0.01784 -0.00243 107 2PZ -0.01130 0.00689 -0.01256 0.01018 -0.00109 108 3S -0.00945 -0.02905 0.02681 0.03637 -0.00264 109 3PX 0.01044 0.00962 -0.01197 0.01674 0.00002 110 3PY -0.01954 0.00004 0.01613 0.01327 -0.00159 111 3PZ -0.00764 0.00018 -0.00303 0.01048 -0.00061 112 4XX -0.00068 -0.00402 0.00000 0.00059 -0.00003 113 4YY 0.00049 0.00173 -0.00037 -0.00042 0.00006 114 4ZZ 0.00034 0.00215 0.00033 -0.00125 0.00010 115 4XY 0.00074 -0.00167 0.00002 -0.00246 -0.00019 116 4XZ -0.00067 0.00003 -0.00076 0.00127 -0.00006 117 4YZ 0.00239 -0.00205 -0.00053 -0.00114 0.00022 118 14 H 1S 0.01434 0.00148 0.00439 -0.00935 0.00148 119 2S 0.01288 0.01138 0.00184 -0.01853 0.00239 120 15 H 1S -0.00715 -0.02215 0.00996 -0.01260 -0.00032 121 2S -0.00385 -0.02883 0.00251 -0.01210 -0.00043 122 16 C 1S 0.00108 0.00169 0.00483 0.00524 -0.00217 123 2S 0.01380 -0.01259 -0.01502 -0.01805 0.00325 124 2PX 0.06880 -0.04389 -0.00853 -0.05917 -0.00835 125 2PY 0.03175 -0.03958 -0.01132 -0.02975 0.00373 126 2PZ 0.09340 -0.03897 -0.01734 -0.04187 0.00581 127 3S -0.00960 0.01346 -0.02719 -0.03146 0.00542 128 3PX 0.01393 -0.02374 -0.00357 -0.02816 -0.00302 129 3PY 0.00118 -0.02542 -0.00175 -0.00868 0.00205 130 3PZ 0.02438 -0.02246 -0.00470 -0.01695 0.00314 131 4XX 0.00362 0.00668 -0.00209 -0.00403 0.00072 132 4YY -0.00155 -0.00045 0.00350 0.00121 -0.00030 133 4ZZ -0.00028 -0.00567 -0.00006 0.00431 -0.00057 134 4XY 0.00384 -0.00178 0.00226 -0.00329 -0.00043 135 4XZ 0.00794 -0.00103 -0.00120 -0.00202 -0.00031 136 4YZ 0.00518 -0.00285 0.00178 -0.00106 0.00007 137 17 H 1S -0.03973 -0.00861 -0.00045 0.01726 -0.00315 138 2S -0.04434 -0.02828 0.00503 0.03715 -0.00459 139 18 H 1S -0.01004 0.02696 -0.01210 0.00690 0.00852 140 2S -0.00441 0.04470 -0.01397 -0.00203 0.00744 141 19 O 1S 0.00144 0.00263 0.00207 -0.00641 0.00006 142 2S 0.00391 -0.00682 -0.00694 0.01294 -0.00008 143 2PX 0.04868 0.04552 -0.02805 -0.03116 -0.00328 144 2PY -0.02110 0.01179 -0.00718 0.01288 0.00016 145 2PZ -0.09210 -0.03825 0.05302 0.04298 0.00251 146 3S -0.02042 -0.02385 -0.00111 0.02508 -0.00019 147 3PX 0.04105 0.03457 -0.02403 -0.02365 -0.00191 148 3PY -0.00961 0.01157 -0.00613 0.00743 -0.00012 149 3PZ -0.06528 -0.03394 0.03854 0.03639 0.00158 150 4XX 0.00033 0.00300 -0.00034 -0.00159 0.00023 151 4YY 0.00178 -0.00115 0.00060 -0.00051 -0.00007 152 4ZZ 0.00200 -0.00059 -0.00102 0.00014 -0.00017 153 4XY -0.00204 -0.00209 0.00096 0.00127 0.00014 154 4XZ -0.00053 -0.00173 0.00002 0.00067 0.00003 155 4YZ 0.00375 0.00076 -0.00165 -0.00120 -0.00017 156 20 O 1S 0.00457 -0.00208 -0.00260 0.00092 -0.00012 157 2S -0.01157 0.00614 0.00614 -0.00469 0.00034 158 2PX 0.01281 -0.00674 -0.01517 0.00523 -0.00028 159 2PY -0.00840 0.00804 -0.00076 -0.00885 0.00028 160 2PZ -0.00222 0.00040 0.01151 0.00888 -0.00064 161 3S -0.00785 0.01129 0.00441 0.00202 -0.00003 162 3PX 0.00780 -0.00337 -0.01144 -0.00045 0.00008 163 3PY -0.00526 0.00638 -0.00116 -0.00584 0.00023 164 3PZ -0.00102 0.00407 0.00956 0.00421 -0.00059 165 4XX -0.00078 -0.00131 0.00004 0.00027 0.00006 166 4YY -0.00018 0.00066 0.00002 -0.00119 0.00002 167 4ZZ 0.00069 0.00124 -0.00035 -0.00071 -0.00001 168 4XY 0.00056 0.00016 -0.00050 -0.00023 0.00001 169 4XZ 0.00010 0.00064 0.00005 -0.00038 -0.00001 170 4YZ 0.00019 0.00054 0.00017 -0.00034 0.00004 171 21 C 1S -0.00368 -0.00193 0.00126 0.00180 0.00012 172 2S 0.00582 0.00377 -0.00123 -0.00621 -0.00003 173 2PX -0.01153 -0.00373 0.00221 0.01195 0.00057 174 2PY 0.01392 0.01392 0.00028 -0.01122 -0.00046 175 2PZ 0.00543 -0.00371 -0.00570 0.00117 -0.00027 176 3S 0.00443 0.00691 -0.00086 -0.00892 0.00036 177 3PX -0.00017 -0.00163 -0.00249 0.00283 0.00001 178 3PY 0.00332 0.01831 -0.00133 -0.01093 0.00026 179 3PZ -0.00744 -0.00652 0.00362 0.00588 0.00012 180 4XX -0.00272 -0.00166 0.00214 0.00123 0.00011 181 4YY 0.00080 0.00111 -0.00083 -0.00030 -0.00008 182 4ZZ 0.00178 0.00018 -0.00126 -0.00036 -0.00006 183 4XY -0.00033 0.00147 -0.00048 -0.00065 0.00003 184 4XZ 0.00332 0.00067 -0.00188 -0.00154 -0.00013 185 4YZ -0.00359 -0.00202 0.00136 0.00160 0.00013 186 22 H 1S 0.01209 0.00158 -0.00876 -0.00402 -0.00031 187 2S 0.02084 0.00651 -0.01474 -0.00778 -0.00056 188 23 H 1S -0.01619 -0.00530 0.01053 0.00920 0.00061 189 2S -0.02883 -0.01287 0.01947 0.01837 0.00067 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00083 0.00134 28 4XY 0.00016 -0.00014 0.00038 29 4XZ -0.00034 -0.00007 -0.00002 0.00090 30 4YZ -0.00008 -0.00006 0.00024 0.00012 0.00071 31 3 C 1S -0.00079 -0.00044 0.00018 0.00002 -0.00037 32 2S 0.00055 -0.00001 -0.00039 0.00047 0.00055 33 2PX 0.00141 0.00073 -0.00017 -0.00135 0.00099 34 2PY 0.00117 -0.00036 -0.00082 0.00009 0.00066 35 2PZ -0.00177 0.00002 0.00109 0.00096 0.00217 36 3S 0.00058 0.00039 -0.00050 0.00045 0.00199 37 3PX 0.00113 0.00100 0.00039 -0.00136 0.00057 38 3PY -0.00026 -0.00042 -0.00061 0.00046 0.00084 39 3PZ -0.00130 0.00006 0.00089 0.00148 0.00190 40 4XX -0.00005 0.00011 -0.00008 -0.00005 -0.00002 41 4YY 0.00037 -0.00018 0.00010 -0.00001 -0.00011 42 4ZZ -0.00018 0.00007 0.00000 -0.00011 0.00007 43 4XY -0.00010 0.00000 -0.00018 0.00011 -0.00008 44 4XZ -0.00001 -0.00011 -0.00011 0.00039 -0.00003 45 4YZ 0.00011 -0.00007 -0.00008 0.00003 -0.00021 46 4 C 1S -0.00185 0.00103 0.00017 0.00043 0.00123 47 2S 0.00428 -0.00218 -0.00048 -0.00068 -0.00226 48 2PX 0.00018 -0.00229 -0.00264 0.00707 0.00037 49 2PY 0.00989 -0.00349 -0.00132 -0.00076 -0.00717 50 2PZ -0.00142 0.00131 0.00153 -0.00333 0.00061 51 3S 0.00641 -0.00234 -0.00039 -0.00340 -0.00410 52 3PX 0.00066 -0.00170 -0.00147 0.00530 0.00031 53 3PY 0.00506 -0.00134 -0.00021 -0.00078 -0.00249 54 3PZ -0.00003 -0.00003 0.00093 -0.00191 0.00173 55 4XX -0.00018 0.00002 0.00005 0.00005 0.00020 56 4YY -0.00003 0.00017 -0.00007 0.00008 -0.00038 57 4ZZ -0.00025 0.00009 -0.00001 -0.00001 0.00028 58 4XY 0.00002 -0.00023 -0.00017 0.00047 0.00009 59 4XZ -0.00012 -0.00001 0.00005 0.00007 0.00005 60 4YZ 0.00015 0.00012 0.00015 -0.00009 0.00029 61 5 H 1S -0.00556 0.00659 0.00010 0.00402 0.00406 62 2S -0.00527 0.00408 0.00095 0.00382 0.00629 63 6 H 1S -0.00253 0.00052 0.00010 -0.00007 0.00104 64 2S -0.00366 0.00154 0.00001 -0.00002 0.00036 65 7 C 1S 0.00008 -0.00041 0.00011 0.00101 -0.00033 66 2S -0.00132 0.00005 -0.00072 -0.00281 0.00076 67 2PX 0.00200 -0.00061 0.00214 0.00601 -0.00200 68 2PY -0.00199 0.00069 0.00057 -0.00293 -0.00008 69 2PZ -0.00090 -0.00119 -0.00182 -0.00182 0.00168 70 3S -0.00286 0.00019 -0.00121 -0.00361 0.00034 71 3PX 0.00204 -0.00070 0.00115 0.00414 -0.00204 72 3PY 0.00003 -0.00085 -0.00007 -0.00154 0.00065 73 3PZ -0.00072 -0.00039 -0.00128 -0.00210 0.00043 74 4XX 0.00001 -0.00010 0.00002 0.00029 0.00009 75 4YY 0.00015 0.00002 0.00001 -0.00009 0.00000 76 4ZZ -0.00003 0.00004 0.00003 0.00001 -0.00010 77 4XY -0.00011 0.00014 -0.00001 -0.00024 0.00002 78 4XZ -0.00007 0.00016 0.00011 -0.00027 -0.00001 79 4YZ 0.00014 -0.00021 0.00003 0.00044 -0.00005 80 8 H 1S -0.00119 0.00145 0.00043 -0.00289 -0.00033 81 2S -0.00045 0.00205 0.00066 -0.00206 -0.00100 82 9 C 1S -0.00007 0.00001 0.00027 0.00049 -0.00025 83 2S 0.00036 0.00038 -0.00025 -0.00107 0.00040 84 2PX 0.00064 -0.00194 0.00123 0.00619 -0.00130 85 2PY 0.00103 -0.00083 -0.00074 0.00141 0.00016 86 2PZ -0.00063 0.00185 -0.00073 -0.00555 0.00105 87 3S 0.00170 0.00004 -0.00048 -0.00209 0.00116 88 3PX 0.00053 -0.00198 0.00048 0.00506 -0.00053 89 3PY 0.00098 -0.00133 -0.00017 0.00188 0.00013 90 3PZ -0.00051 0.00116 -0.00049 -0.00352 0.00100 91 4XX -0.00004 0.00004 0.00002 -0.00011 0.00003 92 4YY -0.00001 -0.00003 -0.00003 -0.00004 0.00003 93 4ZZ 0.00001 -0.00004 0.00007 0.00023 -0.00008 94 4XY 0.00012 -0.00002 0.00009 0.00026 -0.00010 95 4XZ -0.00006 0.00003 0.00008 -0.00006 0.00001 96 4YZ -0.00007 -0.00005 -0.00009 -0.00011 0.00008 97 10 H 1S -0.00020 -0.00034 0.00021 0.00086 -0.00012 98 2S -0.00042 -0.00109 0.00013 0.00196 -0.00006 99 11 H 1S 0.00087 -0.00035 0.00061 -0.00011 -0.00036 100 2S 0.00156 -0.00131 0.00078 0.00002 -0.00046 101 12 H 1S 0.01662 -0.01016 0.00237 -0.00185 -0.00063 102 2S 0.01575 -0.00812 0.00162 -0.00344 -0.00082 103 13 C 1S -0.00142 0.00046 -0.00079 0.00011 -0.00080 104 2S 0.00319 -0.00115 0.00142 -0.00021 0.00154 105 2PX 0.00069 -0.00134 0.00048 0.00108 0.00075 106 2PY 0.00808 -0.00239 0.00547 -0.00207 0.00493 107 2PZ 0.00084 -0.00022 0.00059 0.00078 0.00059 108 3S 0.00575 -0.00201 0.00198 -0.00035 0.00156 109 3PX -0.00022 -0.00031 0.00015 0.00028 0.00036 110 3PY 0.00556 -0.00155 0.00250 -0.00257 0.00195 111 3PZ 0.00032 0.00032 0.00042 0.00025 0.00007 112 4XX -0.00010 0.00014 -0.00020 -0.00013 -0.00011 113 4YY 0.00009 -0.00005 0.00026 0.00024 0.00023 114 4ZZ -0.00023 0.00002 -0.00012 0.00004 -0.00014 115 4XY -0.00016 0.00019 0.00005 0.00006 0.00017 116 4XZ 0.00006 -0.00004 0.00001 0.00006 0.00001 117 4YZ -0.00012 -0.00025 0.00011 0.00007 0.00011 118 14 H 1S -0.00152 -0.00049 -0.00075 0.00039 -0.00062 119 2S -0.00248 -0.00056 -0.00054 0.00038 -0.00067 120 15 H 1S -0.00102 0.00150 -0.00086 -0.00039 -0.00054 121 2S -0.00202 0.00252 -0.00114 -0.00120 -0.00035 122 16 C 1S 0.00156 -0.00143 -0.00239 -0.00437 -0.00280 123 2S -0.00345 0.00169 0.00462 0.00808 0.00538 124 2PX -0.00282 0.00375 0.00337 0.00314 0.00632 125 2PY -0.00945 0.00316 -0.00344 0.00565 -0.00256 126 2PZ -0.00289 -0.00993 0.00554 0.00345 0.00441 127 3S -0.00724 0.00263 0.00422 0.01029 0.00641 128 3PX -0.00228 0.00258 0.00160 0.00109 0.00361 129 3PY -0.00365 0.00115 -0.00156 0.00312 -0.00078 130 3PZ -0.00214 -0.00367 0.00259 0.00117 0.00221 131 4XX -0.00025 -0.00050 -0.00023 0.00024 -0.00007 132 4YY 0.00084 -0.00035 0.00017 -0.00032 0.00012 133 4ZZ -0.00041 0.00080 -0.00011 -0.00005 -0.00032 134 4XY 0.00024 -0.00003 0.00014 0.00001 0.00019 135 4XZ -0.00014 -0.00018 0.00017 0.00018 0.00010 136 4YZ 0.00018 -0.00051 0.00025 -0.00001 0.00011 137 17 H 1S -0.00269 0.00875 -0.00196 0.00197 -0.00112 138 2S -0.00207 0.00871 -0.00230 -0.00141 -0.00287 139 18 H 1S -0.00239 -0.00292 -0.00078 0.00298 -0.00156 140 2S -0.00166 -0.00322 -0.00206 0.00037 -0.00201 141 19 O 1S 0.00031 0.00003 -0.00009 0.00002 0.00011 142 2S -0.00072 -0.00014 0.00028 -0.00003 -0.00026 143 2PX 0.00077 -0.00034 -0.00102 0.00068 0.00025 144 2PY 0.00000 -0.00011 0.00006 0.00041 -0.00032 145 2PZ 0.00015 0.00078 0.00019 -0.00164 -0.00033 146 3S -0.00078 0.00104 0.00071 -0.00046 0.00033 147 3PX 0.00033 -0.00043 -0.00084 0.00008 0.00012 148 3PY 0.00010 -0.00035 -0.00010 0.00086 -0.00035 149 3PZ 0.00028 0.00031 0.00031 -0.00070 -0.00054 150 4XX -0.00008 -0.00007 -0.00009 -0.00016 0.00002 151 4YY 0.00004 -0.00002 0.00001 -0.00008 -0.00002 152 4ZZ 0.00001 -0.00003 0.00003 0.00015 -0.00008 153 4XY -0.00002 0.00001 0.00002 0.00003 0.00001 154 4XZ -0.00005 0.00005 0.00005 -0.00011 0.00001 155 4YZ 0.00004 -0.00006 0.00001 0.00017 0.00001 156 20 O 1S -0.00012 -0.00010 -0.00009 -0.00001 0.00003 157 2S 0.00021 0.00019 0.00022 -0.00001 0.00002 158 2PX -0.00017 0.00013 -0.00113 -0.00181 0.00051 159 2PY -0.00052 0.00023 0.00053 -0.00036 -0.00004 160 2PZ 0.00104 -0.00054 0.00061 0.00291 -0.00067 161 3S 0.00004 0.00037 0.00019 -0.00034 -0.00034 162 3PX -0.00017 0.00021 -0.00088 -0.00170 0.00056 163 3PY -0.00054 0.00038 0.00043 -0.00067 -0.00006 164 3PZ 0.00085 -0.00068 0.00053 0.00291 -0.00055 165 4XX -0.00001 0.00007 -0.00002 -0.00018 0.00003 166 4YY -0.00001 0.00001 0.00003 -0.00004 0.00002 167 4ZZ 0.00000 -0.00008 -0.00001 0.00017 -0.00001 168 4XY -0.00003 0.00002 -0.00002 -0.00010 0.00002 169 4XZ 0.00000 0.00001 0.00003 0.00000 0.00000 170 4YZ 0.00001 0.00000 0.00000 0.00002 -0.00001 171 21 C 1S 0.00016 0.00000 0.00009 0.00028 -0.00002 172 2S -0.00029 0.00021 -0.00009 -0.00103 0.00011 173 2PX -0.00007 -0.00019 0.00001 0.00039 -0.00014 174 2PY 0.00011 -0.00036 -0.00032 0.00031 0.00006 175 2PZ 0.00020 0.00013 0.00026 0.00035 -0.00013 176 3S -0.00018 0.00015 -0.00023 -0.00132 0.00028 177 3PX -0.00014 0.00032 0.00005 -0.00112 -0.00004 178 3PY -0.00009 -0.00034 -0.00020 0.00033 0.00009 179 3PZ 0.00009 0.00010 0.00030 0.00019 -0.00027 180 4XX 0.00000 -0.00001 0.00007 0.00008 -0.00004 181 4YY 0.00002 0.00000 -0.00007 -0.00004 0.00001 182 4ZZ 0.00000 -0.00003 0.00001 0.00008 -0.00002 183 4XY 0.00001 -0.00002 0.00002 0.00005 -0.00001 184 4XZ 0.00001 -0.00001 0.00000 0.00002 0.00003 185 4YZ -0.00004 0.00006 0.00000 -0.00017 0.00001 186 22 H 1S -0.00002 0.00003 0.00004 -0.00001 0.00002 187 2S -0.00005 -0.00026 -0.00022 0.00094 0.00021 188 23 H 1S -0.00012 -0.00010 0.00014 0.00018 -0.00016 189 2S 0.00015 -0.00040 0.00043 0.00174 -0.00049 31 32 33 34 35 31 3 C 1S 2.05494 32 2S -0.06108 0.32600 33 2PX -0.00137 -0.00135 0.34895 34 2PY 0.00186 0.00372 -0.01259 0.41139 35 2PZ -0.00409 0.00570 0.03323 0.01966 0.39185 36 3S -0.19678 0.28869 0.04143 -0.00159 0.00461 37 3PX -0.00513 0.00814 0.20156 0.02642 -0.03981 38 3PY -0.00719 -0.00824 0.02145 0.13271 0.01204 39 3PZ 0.00797 -0.01693 -0.04362 -0.00316 0.16556 40 4XX -0.01165 -0.01268 0.00008 0.00550 -0.00825 41 4YY -0.01845 0.00165 0.00442 -0.02175 -0.00237 42 4ZZ -0.01376 -0.00746 -0.00382 0.00996 0.00779 43 4XY 0.00144 -0.00305 0.00713 0.00233 0.00298 44 4XZ -0.00268 0.00572 0.00067 0.00586 -0.00628 45 4YZ -0.00106 0.00231 0.00357 0.00096 0.01163 46 4 C 1S 0.01820 -0.03387 -0.01248 -0.03914 -0.06920 47 2S -0.03656 0.06338 0.02889 0.07810 0.14401 48 2PX 0.01017 -0.01982 0.18247 0.00827 -0.15744 49 2PY 0.03660 -0.07636 -0.00836 -0.05066 -0.15690 50 2PZ 0.07344 -0.14774 -0.12423 -0.15364 -0.18243 51 3S 0.00947 0.01598 0.01395 0.09103 0.06288 52 3PX -0.00716 0.00750 0.12104 0.02349 -0.07217 53 3PY 0.00664 -0.01372 0.00595 0.00956 -0.08829 54 3PZ 0.00572 -0.03328 -0.06024 -0.05155 -0.01034 55 4XX 0.00197 -0.00391 -0.00460 -0.00268 -0.00489 56 4YY 0.00121 -0.00333 -0.00045 -0.01327 -0.00352 57 4ZZ -0.00362 0.00683 0.00425 0.00905 -0.00331 58 4XY -0.00128 0.00250 -0.00553 -0.00056 0.00434 59 4XZ -0.00125 0.00243 -0.00985 0.00317 0.00244 60 4YZ -0.00482 0.00896 0.00406 -0.00230 0.00890 61 5 H 1S -0.00745 0.01733 -0.00072 0.01537 0.03355 62 2S -0.01207 0.02472 -0.00395 0.03065 0.06995 63 6 H 1S 0.01303 -0.02811 -0.00994 -0.00382 -0.04387 64 2S 0.01856 -0.03297 -0.02491 0.00036 -0.09600 65 7 C 1S -0.00087 0.00340 0.00345 0.00462 -0.00223 66 2S 0.00284 -0.00361 -0.00871 -0.00685 0.00600 67 2PX -0.00614 0.01795 0.00239 0.00664 -0.00500 68 2PY -0.00131 0.00281 0.01763 0.01473 -0.00876 69 2PZ 0.00598 -0.01530 -0.01206 -0.00694 0.00835 70 3S -0.00273 -0.01790 -0.00114 -0.04084 -0.00819 71 3PX -0.00469 0.01285 0.00853 0.00807 -0.02081 72 3PY 0.00257 0.00144 -0.01041 0.01209 0.01393 73 3PZ 0.00230 -0.01589 -0.00856 -0.00736 -0.00722 74 4XX -0.00010 0.00008 -0.00067 0.00035 0.00020 75 4YY 0.00014 -0.00011 0.00040 -0.00008 -0.00049 76 4ZZ -0.00016 0.00093 -0.00007 0.00083 -0.00005 77 4XY -0.00029 0.00009 0.00546 0.00217 -0.00308 78 4XZ -0.00012 0.00031 0.00234 0.00092 -0.00171 79 4YZ 0.00042 -0.00030 -0.00522 -0.00158 0.00311 80 8 H 1S -0.00232 0.00538 0.01953 0.00855 -0.01188 81 2S -0.00405 0.00722 0.03565 0.01617 -0.03080 82 9 C 1S -0.00178 0.00203 -0.01015 -0.00432 0.00361 83 2S 0.00088 -0.01176 0.01513 0.00318 -0.00713 84 2PX 0.00337 -0.00217 -0.09618 -0.03274 0.05345 85 2PY -0.00036 0.00341 -0.02837 -0.01781 0.01151 86 2PZ -0.00708 0.00896 0.08499 0.02217 -0.05581 87 3S 0.01627 -0.00058 0.03824 0.03810 0.00095 88 3PX -0.00364 0.00783 -0.05824 -0.02308 0.04996 89 3PY 0.00002 0.00570 -0.03774 0.00624 0.02708 90 3PZ 0.00155 0.00701 0.05985 0.01613 -0.01994 91 4XX -0.00145 0.00260 0.00450 0.00217 -0.00488 92 4YY -0.00025 -0.00060 -0.00146 -0.00225 0.00099 93 4ZZ -0.00002 -0.00077 -0.00198 -0.00006 0.00252 94 4XY -0.00060 0.00158 0.00189 -0.00082 -0.00154 95 4XZ 0.00108 -0.00262 -0.00601 -0.00200 0.00294 96 4YZ 0.00072 -0.00176 -0.00142 0.00062 0.00120 97 10 H 1S 0.00589 -0.01361 -0.02038 -0.00124 0.02040 98 2S 0.00655 -0.01226 -0.04792 -0.01064 0.04127 99 11 H 1S -0.05974 0.11313 0.03569 -0.26354 -0.01521 100 2S -0.01318 0.02654 0.02584 -0.24292 0.00122 101 12 H 1S -0.00248 0.00754 0.00732 0.00905 -0.00837 102 2S -0.00361 0.01354 0.02064 0.02463 -0.02720 103 13 C 1S 0.01244 -0.02357 0.03607 -0.02997 0.04416 104 2S -0.02396 0.03949 -0.07421 0.05500 -0.09015 105 2PX -0.04791 0.10350 -0.10584 0.09324 -0.15609 106 2PY 0.02374 -0.04947 0.08844 -0.03185 0.07089 107 2PZ -0.04592 0.09405 -0.13906 0.08289 -0.13090 108 3S 0.00574 0.02216 -0.05717 0.11778 -0.11981 109 3PX -0.00940 0.03227 -0.05671 0.04712 -0.07740 110 3PY 0.00508 -0.00884 0.04982 0.00332 0.03349 111 3PZ -0.00844 0.03021 -0.07259 0.04275 -0.05936 112 4XX -0.00124 0.00156 0.00791 0.00282 -0.00508 113 4YY 0.00066 -0.00218 0.00160 -0.00988 0.00164 114 4ZZ -0.00153 0.00225 -0.00636 0.00273 0.00848 115 4XY 0.00307 -0.00570 0.00321 0.00243 0.00650 116 4XZ -0.00455 0.00898 -0.00380 0.00623 -0.00419 117 4YZ 0.00296 -0.00534 0.00633 0.00254 0.00393 118 14 H 1S 0.00836 -0.01923 0.00782 -0.00216 0.03479 119 2S 0.01324 -0.02578 -0.00585 -0.01064 0.08285 120 15 H 1S 0.00784 -0.02317 0.02370 -0.00466 0.01466 121 2S 0.01198 -0.02844 0.06286 -0.00792 0.01756 122 16 C 1S -0.00188 0.00452 -0.00258 0.00947 -0.00507 123 2S 0.00482 -0.00915 0.01152 -0.01815 0.01179 124 2PX 0.00233 -0.01074 0.01516 -0.00543 0.01074 125 2PY -0.01008 0.02605 -0.02638 0.03533 -0.01527 126 2PZ 0.00332 -0.00980 0.00895 -0.00623 0.01170 127 3S -0.00249 -0.01275 -0.02496 -0.07999 0.03944 128 3PX -0.00056 -0.00525 0.01175 -0.00077 0.01384 129 3PY -0.00694 0.02183 -0.01115 0.05357 -0.01823 130 3PZ -0.00008 -0.00678 0.00009 -0.00806 0.01469 131 4XX 0.00016 -0.00042 -0.00365 -0.00128 0.00196 132 4YY -0.00049 0.00081 0.00065 0.00189 -0.00247 133 4ZZ -0.00026 0.00065 0.00200 0.00081 -0.00116 134 4XY 0.00116 -0.00266 0.00330 -0.00360 0.00442 135 4XZ 0.00026 -0.00086 0.00015 -0.00083 0.00124 136 4YZ 0.00106 -0.00215 0.00485 -0.00279 0.00362 137 17 H 1S -0.00412 0.01082 -0.00464 0.01089 -0.01587 138 2S -0.00540 0.01200 -0.00030 0.02098 -0.02861 139 18 H 1S -0.00199 0.00839 -0.02438 0.00437 -0.00381 140 2S -0.00265 0.00790 -0.03233 0.01230 -0.00476 141 19 O 1S 0.00002 -0.00146 -0.00291 -0.00133 0.00101 142 2S -0.00038 0.00284 0.00860 0.00304 -0.00527 143 2PX 0.00122 -0.00718 -0.00222 -0.00519 0.00202 144 2PY 0.00050 -0.00170 -0.00768 -0.00657 0.00397 145 2PZ -0.00102 0.00620 -0.00801 -0.00389 0.00418 146 3S 0.00101 0.00705 0.01489 0.00945 0.00560 147 3PX 0.00035 -0.00720 0.00157 -0.00442 -0.00312 148 3PY 0.00002 -0.00141 -0.00583 -0.00675 0.00124 149 3PZ -0.00184 0.00706 -0.00302 -0.00182 -0.00072 150 4XX 0.00036 -0.00081 -0.00128 -0.00060 0.00032 151 4YY -0.00018 -0.00013 0.00076 -0.00003 -0.00104 152 4ZZ -0.00033 0.00024 0.00126 0.00029 -0.00124 153 4XY 0.00006 0.00026 -0.00034 -0.00010 0.00031 154 4XZ -0.00003 0.00020 0.00061 0.00015 -0.00021 155 4YZ 0.00003 -0.00005 -0.00071 -0.00019 0.00044 156 20 O 1S -0.00086 0.00337 0.01007 0.00120 -0.00238 157 2S 0.00268 -0.00669 -0.02195 -0.00203 0.00742 158 2PX -0.00889 0.01757 0.06629 0.01290 -0.02473 159 2PY -0.00038 -0.00094 -0.00085 -0.00424 0.00146 160 2PZ 0.00866 -0.01317 -0.06209 -0.01558 0.02921 161 3S 0.00061 -0.01746 -0.05591 -0.00874 0.00523 162 3PX -0.00485 0.01409 0.05227 0.01129 -0.01699 163 3PY 0.00011 -0.00345 -0.00650 -0.00475 0.00072 164 3PZ 0.00749 -0.00983 -0.05298 -0.01508 0.02889 165 4XX -0.00003 0.00044 0.00442 0.00134 -0.00168 166 4YY 0.00025 0.00059 -0.00046 -0.00067 0.00094 167 4ZZ 0.00030 0.00092 -0.00040 0.00037 0.00115 168 4XY -0.00038 0.00095 0.00295 0.00044 -0.00067 169 4XZ 0.00027 -0.00084 -0.00236 -0.00032 0.00077 170 4YZ 0.00036 -0.00061 -0.00133 0.00013 0.00079 171 21 C 1S 0.00027 0.00024 -0.00298 -0.00030 0.00114 172 2S -0.00037 -0.00033 0.00788 0.00138 -0.00187 173 2PX 0.00136 -0.00248 -0.01145 -0.00154 0.00334 174 2PY 0.00231 -0.00450 -0.02132 -0.00325 0.00770 175 2PZ -0.00019 0.00111 -0.00274 -0.00073 0.00114 176 3S -0.00011 -0.00143 0.01460 0.00083 -0.00542 177 3PX 0.00091 -0.00222 -0.00299 -0.00133 0.00394 178 3PY 0.00177 -0.00297 -0.02402 -0.00634 0.01165 179 3PZ 0.00031 -0.00114 -0.01039 -0.00087 0.00566 180 4XX 0.00038 -0.00037 -0.00278 -0.00051 0.00110 181 4YY -0.00008 0.00011 0.00156 0.00022 -0.00039 182 4ZZ -0.00012 0.00031 0.00053 0.00017 -0.00010 183 4XY 0.00018 -0.00052 -0.00176 -0.00062 0.00084 184 4XZ -0.00032 0.00043 0.00163 0.00015 -0.00077 185 4YZ -0.00046 0.00087 0.00279 0.00053 -0.00119 186 22 H 1S -0.00090 0.00132 0.00532 0.00104 -0.00240 187 2S -0.00194 0.00386 0.01248 0.00334 -0.00852 188 23 H 1S 0.00153 -0.00249 -0.01279 -0.00197 0.00486 189 2S 0.00193 -0.00161 -0.02778 -0.00339 0.00985 36 37 38 39 40 36 3S 0.29355 37 3PX 0.03135 0.13457 38 3PY 0.00442 0.02086 0.05435 39 3PZ -0.02128 -0.05105 -0.00139 0.08689 40 4XX -0.01007 0.00215 0.00209 -0.00293 0.00127 41 4YY 0.00408 0.00070 -0.00642 -0.00124 -0.00040 42 4ZZ -0.00795 -0.00300 0.00273 0.00383 0.00022 43 4XY -0.00191 0.00336 0.00167 -0.00001 0.00012 44 4XZ 0.00466 0.00247 0.00207 -0.00273 0.00009 45 4YZ 0.00247 0.00016 0.00083 0.00367 -0.00033 46 4 C 1S -0.01204 0.00123 -0.01122 -0.01450 0.00275 47 2S 0.03990 -0.00105 0.02913 0.03845 -0.00570 48 2PX -0.00231 0.13403 0.01794 -0.08770 0.00647 49 2PY -0.05279 0.00031 -0.00610 -0.07191 0.00276 50 2PZ -0.16228 -0.05751 -0.06278 -0.04941 0.00709 51 3S -0.02058 0.00534 0.01666 0.00407 -0.00163 52 3PX 0.01949 0.08766 0.01808 -0.04372 0.00328 53 3PY -0.00712 0.01720 0.00191 -0.04173 0.00219 54 3PZ -0.03123 -0.03953 -0.01564 0.00713 0.00056 55 4XX -0.00338 -0.00206 -0.00127 -0.00047 0.00031 56 4YY -0.00245 -0.00142 -0.00390 -0.00120 -0.00012 57 4ZZ 0.00650 0.00442 0.00289 -0.00262 0.00007 58 4XY 0.00289 -0.00489 0.00013 0.00337 -0.00022 59 4XZ -0.00010 -0.00561 -0.00002 0.00237 -0.00014 60 4YZ 0.01073 0.00132 -0.00060 0.00332 -0.00052 61 5 H 1S 0.03976 -0.00069 0.00619 0.02891 -0.00008 62 2S 0.04600 -0.00681 0.01435 0.04555 -0.00094 63 6 H 1S -0.05137 0.00536 -0.00706 -0.01816 0.00274 64 2S -0.05570 0.00627 -0.00968 -0.03605 0.00426 65 7 C 1S -0.00191 0.00291 -0.00119 -0.00259 0.00024 66 2S -0.00263 -0.00729 -0.00026 0.00498 -0.00030 67 2PX -0.00497 0.01485 -0.01266 0.00067 -0.00127 68 2PY 0.00301 0.01430 -0.00282 -0.01855 0.00119 69 2PZ -0.00919 -0.02574 0.00905 -0.00178 0.00139 70 3S -0.00974 -0.00299 -0.00289 -0.00038 0.00013 71 3PX -0.00119 0.01712 -0.00775 -0.00678 -0.00033 72 3PY 0.00634 -0.01234 0.00361 0.00139 -0.00014 73 3PZ -0.00801 -0.01411 0.00454 -0.00698 0.00142 74 4XX 0.00043 -0.00098 0.00086 -0.00015 -0.00003 75 4YY 0.00088 0.00024 0.00030 -0.00009 0.00002 76 4ZZ -0.00051 0.00054 -0.00100 -0.00011 0.00000 77 4XY -0.00001 0.00373 0.00080 -0.00275 0.00022 78 4XZ -0.00077 0.00234 -0.00078 -0.00178 0.00009 79 4YZ -0.00202 -0.00404 -0.00121 0.00259 -0.00017 80 8 H 1S 0.00796 0.02138 -0.00249 -0.01045 0.00033 81 2S 0.00730 0.03645 -0.00298 -0.02163 0.00129 82 9 C 1S 0.00643 0.00004 -0.00140 0.00539 -0.00117 83 2S -0.00116 0.00216 0.00541 -0.00889 0.00203 84 2PX 0.00328 -0.06339 -0.00958 0.04567 -0.00413 85 2PY 0.00310 -0.01665 0.00035 0.02345 -0.00259 86 2PZ 0.03657 0.06051 0.02168 -0.04286 0.00356 87 3S 0.01385 0.01594 0.01742 -0.01387 0.00247 88 3PX 0.00397 -0.04196 -0.00784 0.03718 -0.00353 89 3PY 0.00071 -0.02789 -0.00033 0.02219 -0.00196 90 3PZ 0.01977 0.03871 0.01252 -0.02313 0.00187 91 4XX 0.00639 0.00377 0.00275 -0.00391 -0.00016 92 4YY -0.00161 -0.00109 -0.00074 0.00119 -0.00007 93 4ZZ -0.00389 -0.00145 -0.00224 0.00186 0.00014 94 4XY -0.00038 0.00156 -0.00189 -0.00098 -0.00005 95 4XZ -0.00235 -0.00458 -0.00115 0.00211 0.00007 96 4YZ -0.00168 -0.00232 0.00026 -0.00021 0.00008 97 10 H 1S -0.02749 -0.02254 -0.01069 0.00693 0.00073 98 2S -0.03276 -0.04294 -0.01626 0.02357 -0.00068 99 11 H 1S 0.11157 0.00248 -0.08502 -0.01080 -0.00811 100 2S 0.03260 -0.00816 -0.07297 0.00334 -0.00547 101 12 H 1S 0.00683 0.00885 -0.00887 -0.00707 0.00003 102 2S 0.01579 0.02051 -0.00300 -0.01989 0.00000 103 13 C 1S 0.00108 0.00169 -0.00483 0.00524 -0.00217 104 2S 0.01380 -0.01260 0.01501 -0.01805 0.00325 105 2PX 0.06881 -0.04390 0.00852 -0.05917 -0.00835 106 2PY -0.03174 0.03957 -0.01131 0.02975 -0.00373 107 2PZ 0.09339 -0.03897 0.01734 -0.04186 0.00582 108 3S -0.00960 0.01345 0.02718 -0.03145 0.00542 109 3PX 0.01393 -0.02375 0.00357 -0.02816 -0.00302 110 3PY -0.00117 0.02541 -0.00175 0.00868 -0.00205 111 3PZ 0.02437 -0.02247 0.00470 -0.01694 0.00314 112 4XX 0.00363 0.00668 0.00209 -0.00403 0.00072 113 4YY -0.00155 -0.00045 -0.00350 0.00121 -0.00030 114 4ZZ -0.00028 -0.00567 0.00006 0.00431 -0.00057 115 4XY -0.00384 0.00178 0.00226 0.00329 0.00043 116 4XZ 0.00794 -0.00103 0.00120 -0.00202 -0.00031 117 4YZ -0.00518 0.00284 0.00178 0.00106 -0.00007 118 14 H 1S -0.03973 -0.00861 0.00045 0.01726 -0.00315 119 2S -0.04434 -0.02827 -0.00503 0.03715 -0.00459 120 15 H 1S -0.01004 0.02696 0.01210 0.00690 0.00852 121 2S -0.00441 0.04470 0.01397 -0.00203 0.00744 122 16 C 1S 0.00063 -0.00005 0.00297 -0.00497 0.00045 123 2S -0.00690 0.00391 -0.00873 0.00965 -0.00095 124 2PX 0.01493 0.01466 0.02169 0.02705 -0.00047 125 2PY 0.02630 -0.01498 0.01261 -0.01784 0.00244 126 2PZ -0.01129 0.00689 0.01256 0.01018 -0.00109 127 3S -0.00945 -0.02905 -0.02681 0.03637 -0.00264 128 3PX 0.01044 0.00963 0.01197 0.01673 0.00002 129 3PY 0.01953 -0.00004 0.01613 -0.01327 0.00159 130 3PZ -0.00764 0.00018 0.00304 0.01047 -0.00061 131 4XX -0.00068 -0.00402 0.00000 0.00058 -0.00003 132 4YY 0.00049 0.00173 0.00037 -0.00042 0.00006 133 4ZZ 0.00034 0.00215 -0.00033 -0.00125 0.00010 134 4XY -0.00074 0.00167 0.00002 0.00246 0.00019 135 4XZ -0.00067 0.00003 0.00076 0.00127 -0.00006 136 4YZ -0.00238 0.00205 -0.00053 0.00114 -0.00022 137 17 H 1S 0.01433 0.00148 -0.00439 -0.00934 0.00148 138 2S 0.01287 0.01140 -0.00184 -0.01853 0.00239 139 18 H 1S -0.00714 -0.02215 -0.00996 -0.01260 -0.00032 140 2S -0.00383 -0.02883 -0.00251 -0.01211 -0.00043 141 19 O 1S 0.00457 -0.00208 0.00260 0.00092 -0.00012 142 2S -0.01157 0.00614 -0.00614 -0.00469 0.00034 143 2PX 0.01282 -0.00674 0.01518 0.00522 -0.00028 144 2PY 0.00841 -0.00804 -0.00076 0.00885 -0.00028 145 2PZ -0.00223 0.00040 -0.01152 0.00888 -0.00064 146 3S -0.00786 0.01129 -0.00441 0.00202 -0.00003 147 3PX 0.00781 -0.00337 0.01145 -0.00045 0.00008 148 3PY 0.00527 -0.00638 -0.00116 0.00584 -0.00023 149 3PZ -0.00103 0.00407 -0.00956 0.00421 -0.00059 150 4XX -0.00078 -0.00131 -0.00004 0.00027 0.00006 151 4YY -0.00018 0.00066 -0.00002 -0.00119 0.00002 152 4ZZ 0.00069 0.00124 0.00035 -0.00071 -0.00001 153 4XY -0.00056 -0.00016 -0.00050 0.00023 -0.00001 154 4XZ 0.00010 0.00064 -0.00005 -0.00038 -0.00001 155 4YZ -0.00019 -0.00054 0.00017 0.00034 -0.00004 156 20 O 1S 0.00144 0.00263 -0.00207 -0.00641 0.00006 157 2S 0.00391 -0.00682 0.00694 0.01294 -0.00007 158 2PX 0.04870 0.04551 0.02806 -0.03116 -0.00328 159 2PY 0.02110 -0.01180 -0.00719 -0.01289 -0.00016 160 2PZ -0.09212 -0.03824 -0.05303 0.04299 0.00251 161 3S -0.02042 -0.02385 0.00111 0.02508 -0.00018 162 3PX 0.04106 0.03456 0.02404 -0.02365 -0.00191 163 3PY 0.00961 -0.01157 -0.00613 -0.00743 0.00012 164 3PZ -0.06530 -0.03393 -0.03855 0.03639 0.00158 165 4XX 0.00033 0.00300 0.00034 -0.00159 0.00023 166 4YY 0.00178 -0.00115 -0.00060 -0.00051 -0.00007 167 4ZZ 0.00200 -0.00059 0.00102 0.00014 -0.00017 168 4XY 0.00204 0.00209 0.00096 -0.00127 -0.00014 169 4XZ -0.00053 -0.00173 -0.00002 0.00067 0.00003 170 4YZ -0.00375 -0.00076 -0.00165 0.00120 0.00017 171 21 C 1S -0.00368 -0.00193 -0.00126 0.00180 0.00012 172 2S 0.00582 0.00376 0.00123 -0.00621 -0.00003 173 2PX -0.01153 -0.00372 -0.00221 0.01195 0.00057 174 2PY -0.01392 -0.01392 0.00029 0.01122 0.00046 175 2PZ 0.00544 -0.00371 0.00570 0.00117 -0.00027 176 3S 0.00443 0.00691 0.00086 -0.00892 0.00036 177 3PX -0.00017 -0.00163 0.00249 0.00283 0.00001 178 3PY -0.00332 -0.01831 -0.00133 0.01093 -0.00026 179 3PZ -0.00744 -0.00652 -0.00363 0.00588 0.00012 180 4XX -0.00272 -0.00166 -0.00215 0.00123 0.00011 181 4YY 0.00080 0.00111 0.00083 -0.00030 -0.00008 182 4ZZ 0.00178 0.00018 0.00126 -0.00036 -0.00006 183 4XY 0.00033 -0.00147 -0.00048 0.00065 -0.00003 184 4XZ 0.00332 0.00067 0.00188 -0.00154 -0.00013 185 4YZ 0.00359 0.00202 0.00136 -0.00160 -0.00013 186 22 H 1S 0.01210 0.00158 0.00876 -0.00402 -0.00031 187 2S 0.02085 0.00651 0.01474 -0.00778 -0.00056 188 23 H 1S -0.01620 -0.00530 -0.01053 0.00920 0.00061 189 2S -0.02884 -0.01287 -0.01947 0.01837 0.00067 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00083 0.00134 43 4XY -0.00016 0.00014 0.00038 44 4XZ -0.00034 -0.00007 0.00002 0.00090 45 4YZ 0.00008 0.00006 0.00024 -0.00012 0.00071 46 4 C 1S 0.00162 -0.00434 -0.00115 -0.00133 -0.00435 47 2S -0.00337 0.00759 0.00233 0.00236 0.00871 48 2PX 0.00018 -0.00511 0.00459 0.01199 -0.00393 49 2PY 0.01232 -0.00900 0.00024 -0.00174 0.00305 50 2PZ 0.00173 0.00395 -0.00387 -0.00221 -0.00980 51 3S -0.00546 0.00806 0.00182 0.00125 0.00542 52 3PX 0.00019 -0.00416 0.00308 0.00835 -0.00080 53 3PY 0.00297 -0.00397 -0.00027 0.00080 -0.00012 54 3PZ 0.00071 0.00238 -0.00168 -0.00240 -0.00183 55 4XX -0.00004 -0.00013 -0.00014 -0.00008 -0.00041 56 4YY 0.00096 -0.00047 -0.00005 -0.00026 0.00008 57 4ZZ -0.00069 0.00016 0.00002 0.00040 -0.00031 58 4XY 0.00013 -0.00017 0.00001 0.00009 0.00014 59 4XZ -0.00045 0.00046 -0.00021 0.00017 -0.00007 60 4YZ 0.00038 -0.00038 -0.00005 -0.00030 0.00039 61 5 H 1S -0.00253 0.00052 -0.00010 -0.00007 -0.00104 62 2S -0.00367 0.00154 -0.00001 -0.00002 -0.00036 63 6 H 1S -0.00556 0.00659 -0.00010 0.00402 -0.00406 64 2S -0.00527 0.00408 -0.00095 0.00382 -0.00629 65 7 C 1S -0.00007 0.00001 -0.00027 0.00049 0.00025 66 2S 0.00036 0.00038 0.00025 -0.00107 -0.00040 67 2PX 0.00064 -0.00194 -0.00123 0.00619 0.00130 68 2PY -0.00103 0.00083 -0.00074 -0.00141 0.00016 69 2PZ -0.00063 0.00185 0.00073 -0.00555 -0.00105 70 3S 0.00170 0.00004 0.00048 -0.00209 -0.00116 71 3PX 0.00053 -0.00198 -0.00048 0.00506 0.00053 72 3PY -0.00098 0.00133 -0.00017 -0.00188 0.00013 73 3PZ -0.00051 0.00116 0.00049 -0.00352 -0.00100 74 4XX -0.00004 0.00004 -0.00002 -0.00011 -0.00003 75 4YY -0.00001 -0.00003 0.00003 -0.00004 -0.00003 76 4ZZ 0.00001 -0.00004 -0.00007 0.00023 0.00008 77 4XY -0.00012 0.00003 0.00009 -0.00026 -0.00010 78 4XZ -0.00006 0.00003 -0.00008 -0.00006 -0.00001 79 4YZ 0.00007 0.00005 -0.00009 0.00011 0.00008 80 8 H 1S -0.00020 -0.00034 -0.00021 0.00086 0.00012 81 2S -0.00042 -0.00109 -0.00013 0.00196 0.00006 82 9 C 1S 0.00008 -0.00041 -0.00011 0.00101 0.00033 83 2S -0.00132 0.00005 0.00072 -0.00281 -0.00076 84 2PX 0.00200 -0.00061 -0.00214 0.00601 0.00200 85 2PY 0.00199 -0.00069 0.00057 0.00293 -0.00008 86 2PZ -0.00090 -0.00119 0.00182 -0.00182 -0.00168 87 3S -0.00286 0.00019 0.00121 -0.00361 -0.00034 88 3PX 0.00204 -0.00070 -0.00115 0.00414 0.00204 89 3PY -0.00003 0.00085 -0.00007 0.00154 0.00065 90 3PZ -0.00072 -0.00039 0.00128 -0.00210 -0.00043 91 4XX 0.00001 -0.00010 -0.00002 0.00029 -0.00009 92 4YY 0.00015 0.00002 -0.00001 -0.00009 0.00000 93 4ZZ -0.00003 0.00004 -0.00003 0.00001 0.00010 94 4XY 0.00011 -0.00014 -0.00001 0.00024 0.00002 95 4XZ -0.00007 0.00016 -0.00011 -0.00027 0.00001 96 4YZ -0.00014 0.00021 0.00003 -0.00044 -0.00005 97 10 H 1S -0.00119 0.00145 -0.00043 -0.00289 0.00033 98 2S -0.00045 0.00205 -0.00066 -0.00206 0.00100 99 11 H 1S 0.01662 -0.01016 -0.00237 -0.00185 0.00063 100 2S 0.01575 -0.00812 -0.00162 -0.00344 0.00082 101 12 H 1S 0.00087 -0.00035 -0.00061 -0.00011 0.00036 102 2S 0.00156 -0.00131 -0.00078 0.00002 0.00046 103 13 C 1S 0.00156 -0.00143 0.00238 -0.00437 0.00280 104 2S -0.00345 0.00169 -0.00462 0.00808 -0.00538 105 2PX -0.00282 0.00375 -0.00337 0.00315 -0.00632 106 2PY 0.00944 -0.00316 -0.00344 -0.00565 -0.00256 107 2PZ -0.00290 -0.00993 -0.00553 0.00345 -0.00441 108 3S -0.00724 0.00263 -0.00422 0.01029 -0.00641 109 3PX -0.00228 0.00258 -0.00160 0.00109 -0.00361 110 3PY 0.00365 -0.00115 -0.00156 -0.00312 -0.00078 111 3PZ -0.00214 -0.00367 -0.00259 0.00117 -0.00221 112 4XX -0.00025 -0.00050 0.00023 0.00024 0.00007 113 4YY 0.00084 -0.00035 -0.00017 -0.00032 -0.00012 114 4ZZ -0.00041 0.00080 0.00011 -0.00005 0.00032 115 4XY -0.00024 0.00003 0.00014 -0.00001 0.00019 116 4XZ -0.00014 -0.00018 -0.00017 0.00018 -0.00010 117 4YZ -0.00018 0.00051 0.00025 0.00001 0.00011 118 14 H 1S -0.00269 0.00875 0.00196 0.00197 0.00112 119 2S -0.00207 0.00871 0.00230 -0.00141 0.00287 120 15 H 1S -0.00238 -0.00292 0.00078 0.00297 0.00156 121 2S -0.00166 -0.00322 0.00206 0.00037 0.00201 122 16 C 1S -0.00142 0.00046 0.00079 0.00011 0.00080 123 2S 0.00319 -0.00115 -0.00142 -0.00021 -0.00154 124 2PX 0.00069 -0.00134 -0.00048 0.00108 -0.00075 125 2PY -0.00808 0.00239 0.00547 0.00207 0.00493 126 2PZ 0.00084 -0.00022 -0.00059 0.00078 -0.00059 127 3S 0.00575 -0.00201 -0.00198 -0.00035 -0.00156 128 3PX -0.00023 -0.00032 -0.00015 0.00028 -0.00036 129 3PY -0.00556 0.00155 0.00250 0.00257 0.00195 130 3PZ 0.00032 0.00032 -0.00042 0.00025 -0.00007 131 4XX -0.00010 0.00014 0.00020 -0.00013 0.00011 132 4YY 0.00009 -0.00005 -0.00026 0.00024 -0.00023 133 4ZZ -0.00023 0.00001 0.00012 0.00004 0.00014 134 4XY 0.00016 -0.00019 0.00005 -0.00006 0.00017 135 4XZ 0.00006 -0.00004 -0.00001 0.00006 -0.00001 136 4YZ 0.00012 0.00025 0.00011 -0.00007 0.00011 137 17 H 1S -0.00152 -0.00049 0.00075 0.00039 0.00062 138 2S -0.00248 -0.00056 0.00054 0.00038 0.00067 139 18 H 1S -0.00102 0.00149 0.00087 -0.00039 0.00054 140 2S -0.00202 0.00252 0.00114 -0.00119 0.00035 141 19 O 1S -0.00012 -0.00010 0.00009 -0.00001 -0.00003 142 2S 0.00021 0.00019 -0.00022 -0.00001 -0.00002 143 2PX -0.00017 0.00013 0.00113 -0.00181 -0.00051 144 2PY 0.00052 -0.00023 0.00053 0.00036 -0.00004 145 2PZ 0.00104 -0.00054 -0.00061 0.00291 0.00067 146 3S 0.00004 0.00037 -0.00019 -0.00034 0.00034 147 3PX -0.00017 0.00021 0.00088 -0.00170 -0.00056 148 3PY 0.00054 -0.00038 0.00043 0.00067 -0.00006 149 3PZ 0.00085 -0.00068 -0.00053 0.00291 0.00055 150 4XX -0.00001 0.00007 0.00002 -0.00018 -0.00003 151 4YY -0.00001 0.00001 -0.00003 -0.00004 -0.00002 152 4ZZ 0.00000 -0.00008 0.00001 0.00017 0.00001 153 4XY 0.00003 -0.00002 -0.00002 0.00010 0.00002 154 4XZ 0.00000 0.00001 -0.00003 0.00000 0.00000 155 4YZ -0.00001 0.00000 0.00000 -0.00002 -0.00001 156 20 O 1S 0.00031 0.00003 0.00009 0.00002 -0.00011 157 2S -0.00072 -0.00014 -0.00028 -0.00003 0.00026 158 2PX 0.00077 -0.00034 0.00102 0.00068 -0.00025 159 2PY 0.00000 0.00011 0.00006 -0.00041 -0.00032 160 2PZ 0.00015 0.00078 -0.00019 -0.00164 0.00033 161 3S -0.00078 0.00104 -0.00071 -0.00046 -0.00033 162 3PX 0.00033 -0.00043 0.00084 0.00008 -0.00012 163 3PY -0.00010 0.00035 -0.00010 -0.00086 -0.00035 164 3PZ 0.00028 0.00031 -0.00031 -0.00070 0.00054 165 4XX -0.00008 -0.00007 0.00009 -0.00016 -0.00002 166 4YY 0.00004 -0.00002 -0.00001 -0.00008 0.00002 167 4ZZ 0.00001 -0.00003 -0.00003 0.00015 0.00008 168 4XY 0.00002 -0.00001 0.00002 -0.00003 0.00001 169 4XZ -0.00005 0.00005 -0.00005 -0.00011 -0.00001 170 4YZ -0.00004 0.00006 0.00001 -0.00017 0.00001 171 21 C 1S 0.00016 0.00000 -0.00009 0.00028 0.00002 172 2S -0.00029 0.00021 0.00009 -0.00103 -0.00011 173 2PX -0.00007 -0.00019 -0.00001 0.00039 0.00014 174 2PY -0.00011 0.00036 -0.00032 -0.00031 0.00006 175 2PZ 0.00020 0.00013 -0.00026 0.00035 0.00013 176 3S -0.00018 0.00015 0.00023 -0.00132 -0.00028 177 3PX -0.00014 0.00032 -0.00005 -0.00112 0.00004 178 3PY 0.00009 0.00034 -0.00020 -0.00033 0.00009 179 3PZ 0.00009 0.00010 -0.00030 0.00019 0.00027 180 4XX 0.00000 -0.00001 -0.00007 0.00008 0.00004 181 4YY 0.00002 0.00000 0.00007 -0.00004 -0.00001 182 4ZZ 0.00000 -0.00003 -0.00001 0.00008 0.00002 183 4XY -0.00001 0.00002 0.00002 -0.00005 -0.00001 184 4XZ 0.00001 -0.00001 0.00000 0.00002 -0.00003 185 4YZ 0.00004 -0.00006 0.00000 0.00017 0.00001 186 22 H 1S -0.00002 0.00003 -0.00004 -0.00001 -0.00002 187 2S -0.00005 -0.00026 0.00022 0.00094 -0.00021 188 23 H 1S -0.00012 -0.00010 -0.00014 0.00018 0.00016 189 2S 0.00015 -0.00040 -0.00043 0.00174 0.00049 46 47 48 49 50 46 4 C 1S 2.05282 47 2S -0.06255 0.32755 48 2PX 0.00140 -0.00252 0.35515 49 2PY 0.00096 0.00036 0.00138 0.41443 50 2PZ -0.00131 -0.00543 0.03125 0.00023 0.40211 51 3S -0.15830 0.24228 -0.00291 0.01317 0.04226 52 3PX -0.00113 0.00315 0.21933 0.01073 -0.03527 53 3PY 0.00251 -0.01344 0.02697 0.13648 -0.00083 54 3PZ -0.00982 0.03047 -0.04209 -0.01216 0.12272 55 4XX -0.01240 -0.01304 -0.00071 -0.00285 0.00347 56 4YY -0.01693 -0.00310 -0.00128 0.01322 0.00403 57 4ZZ -0.01781 -0.00166 0.00664 -0.01342 -0.00166 58 4XY 0.00134 -0.00254 -0.00125 0.00159 -0.00728 59 4XZ -0.00350 0.00743 -0.00287 -0.00739 0.00687 60 4YZ 0.00175 -0.00281 -0.00873 0.00073 -0.01435 61 5 H 1S 0.01228 -0.02561 -0.00302 -0.04307 -0.02280 62 2S 0.01413 -0.02480 -0.01688 -0.08410 -0.04848 63 6 H 1S -0.06047 0.11437 0.10771 -0.13132 0.20428 64 2S -0.01307 0.02614 0.10365 -0.11574 0.18744 65 7 C 1S -0.00081 0.00203 0.00961 0.00215 -0.00592 66 2S 0.00108 -0.00181 -0.02495 -0.00412 0.01178 67 2PX -0.00283 0.00628 0.07962 0.01586 -0.04182 68 2PY -0.00030 0.00018 -0.00869 -0.00476 0.00047 69 2PZ 0.00256 -0.00486 -0.07392 -0.01329 0.03685 70 3S 0.00322 -0.01717 -0.02582 -0.00651 0.04043 71 3PX -0.00175 0.00019 0.07629 0.02020 -0.03053 72 3PY -0.00071 0.00701 -0.03392 -0.00774 0.00101 73 3PZ 0.00133 -0.00757 -0.04357 -0.00502 0.03447 74 4XX -0.00011 0.00030 -0.00113 -0.00025 0.00034 75 4YY -0.00013 0.00012 -0.00060 0.00051 0.00067 76 4ZZ -0.00033 0.00043 0.00323 0.00056 -0.00212 77 4XY 0.00019 -0.00064 -0.00062 -0.00022 0.00096 78 4XZ 0.00001 -0.00032 -0.00079 0.00004 0.00078 79 4YZ -0.00005 0.00062 -0.00010 0.00000 -0.00077 80 8 H 1S -0.00026 -0.00090 0.01477 0.00167 -0.00642 81 2S -0.00046 -0.00318 0.04093 0.01070 -0.01043 82 9 C 1S -0.00147 0.00123 0.00411 0.00076 -0.00342 83 2S 0.00106 -0.00455 -0.01445 -0.00061 0.01439 84 2PX -0.00434 0.01454 0.01847 0.00451 -0.02131 85 2PY -0.00049 0.00143 0.00664 0.00325 -0.00218 86 2PZ 0.00469 -0.01529 -0.00157 -0.00046 0.01566 87 3S 0.00628 0.00377 -0.02070 -0.00930 -0.00712 88 3PX -0.00386 0.01646 0.02051 0.00477 -0.03439 89 3PY -0.00121 0.01053 -0.00788 -0.00273 -0.01736 90 3PZ 0.00700 -0.00538 -0.00983 -0.00210 -0.00169 91 4XX -0.00017 0.00025 0.00359 0.00040 -0.00053 92 4YY -0.00029 -0.00008 -0.00185 0.00028 0.00138 93 4ZZ -0.00095 0.00042 0.00117 0.00018 -0.00156 94 4XY -0.00007 -0.00026 0.00515 0.00109 -0.00182 95 4XZ 0.00034 -0.00041 -0.00639 -0.00051 0.00303 96 4YZ -0.00007 0.00025 -0.00503 -0.00085 0.00227 97 10 H 1S -0.00109 0.00302 -0.02316 -0.00384 0.00499 98 2S -0.00149 0.00769 -0.03343 -0.00294 -0.00292 99 11 H 1S 0.01202 -0.02505 -0.00096 0.03529 0.02659 100 2S 0.01331 -0.02557 -0.00976 0.07177 0.04540 101 12 H 1S -0.00834 0.01854 -0.00155 0.03521 -0.00164 102 2S -0.01169 0.02553 0.00346 0.06911 -0.01170 103 13 C 1S -0.00306 0.00583 -0.00800 -0.00177 -0.01006 104 2S 0.00645 -0.01548 0.01868 0.00611 0.02653 105 2PX 0.00664 -0.01796 -0.01458 0.00155 0.04035 106 2PY -0.00144 0.00334 -0.00706 0.00385 -0.00504 107 2PZ 0.01299 -0.03364 0.02312 0.01220 0.03950 108 3S 0.00807 -0.01543 0.07165 -0.00864 0.03254 109 3PX 0.00507 -0.01254 -0.00725 -0.01112 0.03982 110 3PY -0.00350 0.00783 -0.01742 0.00438 -0.01673 111 3PZ 0.00772 -0.01716 0.00501 0.00145 0.02930 112 4XX 0.00040 -0.00111 0.00869 0.00081 -0.00240 113 4YY 0.00066 -0.00161 0.00031 0.00172 0.00373 114 4ZZ -0.00193 0.00383 -0.00968 -0.00408 -0.00456 115 4XY -0.00036 0.00095 0.00075 -0.00158 -0.00273 116 4XZ -0.00028 0.00057 -0.00042 -0.00099 -0.00335 117 4YZ -0.00043 0.00131 0.00132 -0.00070 -0.00275 118 14 H 1S -0.00765 0.01861 -0.02815 -0.01507 -0.01740 119 2S -0.01117 0.02683 -0.07206 -0.02255 -0.02835 120 15 H 1S 0.00146 -0.00211 0.03905 0.00247 -0.01315 121 2S 0.00149 -0.00233 0.03687 -0.00133 -0.01424 122 16 C 1S -0.00268 0.00518 -0.00449 0.00369 -0.00385 123 2S 0.00477 -0.00902 0.01318 -0.00692 0.00530 124 2PX 0.00575 -0.00901 0.01476 -0.01711 0.00024 125 2PY -0.00391 0.00924 0.01091 -0.01170 -0.02808 126 2PZ 0.00545 -0.01011 0.01766 -0.01848 -0.00079 127 3S 0.01276 -0.02471 0.01194 -0.02743 0.02149 128 3PX 0.00401 -0.00652 0.00232 -0.02113 -0.00156 129 3PY -0.00322 0.00782 0.02237 -0.00754 -0.02812 130 3PZ 0.00300 -0.00543 -0.00004 -0.01411 0.00024 131 4XX -0.00003 0.00016 -0.00104 -0.00096 0.00004 132 4YY -0.00013 0.00028 0.00171 0.00189 0.00034 133 4ZZ -0.00007 -0.00015 -0.00005 -0.00125 -0.00056 134 4XY -0.00012 0.00054 0.00063 0.00033 -0.00079 135 4XZ 0.00034 -0.00061 0.00073 -0.00126 -0.00051 136 4YZ -0.00016 0.00069 -0.00022 -0.00093 -0.00099 137 17 H 1S -0.00055 0.00024 0.00220 0.00239 -0.00167 138 2S -0.00112 0.00004 -0.00424 0.00404 0.00328 139 18 H 1S -0.00129 0.00194 -0.00672 -0.00025 -0.00058 140 2S -0.00201 0.00358 -0.02593 -0.00482 0.00549 141 19 O 1S 0.00017 -0.00032 -0.00064 0.00007 0.00055 142 2S 0.00030 -0.00040 0.00313 0.00067 -0.00034 143 2PX 0.00062 0.00050 -0.02007 -0.00058 0.01189 144 2PY -0.00034 0.00148 0.00167 0.00222 0.00108 145 2PZ -0.00118 0.00070 0.02972 0.00332 -0.01574 146 3S -0.00277 0.00563 -0.00738 -0.00387 -0.00662 147 3PX 0.00096 -0.00147 -0.01782 -0.00060 0.01389 148 3PY 0.00088 -0.00020 0.00990 0.00307 -0.00115 149 3PZ -0.00123 0.00051 0.03369 0.00486 -0.01600 150 4XX 0.00038 -0.00036 -0.00242 -0.00028 0.00143 151 4YY 0.00014 -0.00032 -0.00037 0.00024 0.00065 152 4ZZ 0.00034 -0.00016 0.00314 0.00064 -0.00098 153 4XY -0.00004 0.00003 0.00089 0.00007 -0.00058 154 4XZ -0.00003 0.00005 -0.00067 -0.00015 0.00021 155 4YZ 0.00007 0.00007 -0.00048 -0.00010 0.00010 156 20 O 1S -0.00016 0.00196 0.00628 -0.00032 -0.00258 157 2S 0.00099 -0.00335 -0.01491 0.00049 0.00319 158 2PX -0.00076 0.01200 0.02456 -0.00146 -0.00916 159 2PY 0.00049 -0.00001 -0.00756 -0.00366 0.00455 160 2PZ -0.00063 -0.01548 -0.01403 0.00533 -0.00171 161 3S -0.00251 -0.00867 -0.03774 0.00003 0.02601 162 3PX 0.00044 0.00850 0.01225 -0.00192 -0.00782 163 3PY -0.00028 -0.00156 -0.01626 -0.00301 0.01028 164 3PZ -0.00024 -0.00918 -0.00683 0.00427 -0.00549 165 4XX 0.00010 -0.00042 0.00075 0.00008 -0.00040 166 4YY -0.00004 0.00018 -0.00183 -0.00015 -0.00016 167 4ZZ -0.00011 0.00126 0.00155 -0.00018 -0.00168 168 4XY 0.00000 0.00055 0.00050 -0.00025 -0.00059 169 4XZ 0.00013 -0.00040 -0.00269 -0.00003 0.00094 170 4YZ 0.00002 -0.00061 -0.00133 0.00015 0.00008 171 21 C 1S -0.00021 0.00037 0.00255 0.00074 -0.00130 172 2S 0.00045 -0.00093 -0.01070 -0.00231 0.00345 173 2PX -0.00019 -0.00090 0.00184 0.00183 0.00043 174 2PY -0.00002 -0.00104 -0.01261 -0.00063 0.00513 175 2PZ 0.00044 0.00038 -0.00407 0.00065 -0.00103 176 3S 0.00163 -0.00175 -0.00665 -0.00142 0.00527 177 3PX -0.00074 0.00010 -0.02492 -0.00074 0.00664 178 3PY 0.00013 -0.00005 -0.01587 -0.00148 0.00357 179 3PZ 0.00020 -0.00051 -0.00434 0.00234 -0.00296 180 4XX -0.00009 -0.00044 0.00044 0.00025 -0.00041 181 4YY 0.00010 0.00015 0.00024 0.00000 -0.00017 182 4ZZ -0.00004 0.00045 0.00040 0.00004 -0.00036 183 4XY -0.00002 -0.00011 -0.00120 -0.00009 0.00047 184 4XZ 0.00017 0.00039 -0.00042 -0.00028 0.00030 185 4YZ 0.00001 0.00058 0.00207 -0.00005 -0.00072 186 22 H 1S 0.00050 0.00107 -0.00437 -0.00073 0.00111 187 2S 0.00031 0.00287 0.01399 -0.00267 -0.00045 188 23 H 1S -0.00043 -0.00223 0.00288 0.00129 -0.00121 189 2S -0.00064 -0.00290 0.02268 0.00476 -0.01122 51 52 53 54 55 51 3S 0.23666 52 3PX -0.00653 0.14682 53 3PY 0.00804 0.02136 0.05806 54 3PZ 0.02201 -0.04331 -0.01311 0.05819 55 4XX -0.00857 -0.00095 -0.00047 0.00024 0.00073 56 4YY -0.00280 -0.00122 0.00303 0.00086 0.00012 57 4ZZ 0.00017 0.00369 -0.00273 -0.00117 0.00023 58 4XY -0.00508 0.00039 -0.00047 -0.00152 0.00013 59 4XZ 0.00603 -0.00244 -0.00263 0.00329 -0.00011 60 4YZ -0.00534 -0.00323 -0.00013 -0.00261 -0.00002 61 5 H 1S -0.06018 0.00165 -0.01990 0.00236 0.00081 62 2S -0.06560 -0.00207 -0.03592 0.00209 0.00146 63 6 H 1S 0.11163 0.03752 -0.03855 0.06087 -0.00203 64 2S 0.05136 0.03642 -0.02569 0.04161 0.00088 65 7 C 1S 0.00054 0.00684 0.00000 -0.00510 -0.00013 66 2S 0.00015 -0.01759 -0.00211 0.00932 0.00020 67 2PX 0.01601 0.06941 0.02337 -0.04610 -0.00029 68 2PY 0.01387 -0.01267 -0.00347 0.00076 -0.00023 69 2PZ -0.01086 -0.06699 -0.02406 0.03744 0.00057 70 3S -0.01584 -0.02582 -0.00756 0.02020 0.00058 71 3PX 0.01134 0.06199 0.02274 -0.03712 -0.00019 72 3PY 0.00543 -0.02752 -0.00859 0.01206 0.00002 73 3PZ -0.00497 -0.04224 -0.01209 0.02569 0.00055 74 4XX -0.00046 -0.00154 -0.00065 0.00092 0.00000 75 4YY 0.00001 -0.00039 0.00041 0.00063 0.00001 76 4ZZ 0.00080 0.00298 0.00042 -0.00198 -0.00004 77 4XY 0.00111 -0.00146 0.00024 0.00013 -0.00005 78 4XZ 0.00195 -0.00054 0.00065 -0.00062 -0.00002 79 4YZ -0.00064 0.00051 -0.00063 -0.00050 0.00004 80 8 H 1S 0.00977 0.01278 0.00787 -0.00834 -0.00030 81 2S 0.01501 0.03174 0.01640 -0.01833 -0.00041 82 9 C 1S 0.00181 0.00602 0.00355 -0.00327 -0.00073 83 2S -0.00137 -0.01485 -0.00374 0.01038 0.00068 84 2PX -0.02214 0.02983 -0.00267 -0.00666 0.00075 85 2PY -0.01124 0.01357 0.00680 -0.00130 -0.00005 86 2PZ 0.00471 -0.01379 0.00870 0.01235 -0.00027 87 3S 0.00523 -0.02069 -0.00412 0.01026 0.00014 88 3PX -0.01597 0.02878 -0.00352 -0.01177 -0.00002 89 3PY 0.00057 0.00180 -0.00221 -0.00331 -0.00001 90 3PZ 0.00406 -0.01374 0.00167 0.00582 -0.00049 91 4XX -0.00201 0.00155 0.00031 0.00088 -0.00008 92 4YY -0.00025 -0.00116 -0.00011 0.00057 0.00000 93 4ZZ 0.00264 0.00164 0.00033 -0.00229 0.00003 94 4XY 0.00148 0.00405 0.00142 -0.00286 -0.00001 95 4XZ 0.00013 -0.00435 -0.00108 0.00204 0.00014 96 4YZ 0.00005 -0.00456 -0.00177 0.00225 0.00004 97 10 H 1S 0.00796 -0.01781 -0.01075 0.00167 0.00048 98 2S 0.00757 -0.02038 -0.01380 0.00013 0.00043 99 11 H 1S -0.05395 -0.00252 0.00018 0.01405 -0.00033 100 2S -0.05132 -0.00957 0.00649 0.02119 0.00003 101 12 H 1S 0.05321 0.00062 0.03275 0.00182 -0.00046 102 2S 0.05940 0.00550 0.04660 -0.00343 -0.00112 103 13 C 1S 0.00444 -0.00641 -0.00522 -0.00358 -0.00080 104 2S -0.01031 0.01376 0.00969 0.00673 0.00130 105 2PX 0.01306 -0.02221 0.01513 -0.00045 0.00055 106 2PY -0.01033 -0.00644 0.00586 0.00698 -0.00089 107 2PZ -0.02963 0.01984 0.03845 0.01134 0.00258 108 3S 0.01325 0.04951 0.02284 -0.00729 0.00150 109 3PX 0.00855 -0.01467 0.00355 0.00516 0.00067 110 3PY 0.00848 -0.01148 0.00722 0.00017 -0.00085 111 3PZ -0.00548 0.00461 0.01771 0.00544 0.00143 112 4XX -0.00076 0.00586 0.00178 -0.00163 -0.00001 113 4YY -0.00258 -0.00026 0.00013 0.00133 0.00005 114 4ZZ 0.00336 -0.00567 -0.00314 -0.00042 -0.00011 115 4XY -0.00144 0.00151 -0.00105 0.00007 -0.00001 116 4XZ 0.00060 0.00016 0.00100 -0.00128 -0.00005 117 4YZ 0.00064 0.00078 -0.00167 -0.00106 -0.00009 118 14 H 1S 0.02092 -0.01981 -0.02578 -0.00544 -0.00086 119 2S 0.02508 -0.04660 -0.03337 -0.00233 -0.00103 120 15 H 1S -0.01502 0.03448 0.00227 -0.00080 0.00050 121 2S -0.01376 0.02833 0.00082 -0.00004 0.00001 122 16 C 1S 0.01311 -0.00380 0.00348 -0.00236 -0.00035 123 2S -0.02268 0.00985 -0.00517 0.00299 0.00054 124 2PX -0.06530 0.02459 -0.01161 0.01822 0.00036 125 2PY 0.01718 0.01252 -0.00780 -0.01600 0.00008 126 2PZ -0.04683 0.01384 -0.02513 0.00413 0.00076 127 3S -0.06191 0.01100 -0.02380 0.01168 0.00171 128 3PX -0.03593 0.00871 -0.01073 0.01061 0.00035 129 3PY 0.01389 0.01969 0.00107 -0.01567 -0.00007 130 3PZ -0.02412 0.00261 -0.01506 0.00320 0.00046 131 4XX -0.00046 -0.00163 -0.00205 0.00065 0.00006 132 4YY 0.00085 0.00143 0.00180 0.00018 0.00000 133 4ZZ 0.00166 0.00045 0.00059 -0.00151 -0.00007 134 4XY -0.00174 0.00133 -0.00012 0.00093 -0.00001 135 4XZ -0.00292 0.00088 -0.00124 0.00014 0.00001 136 4YZ 0.00025 -0.00013 -0.00139 -0.00026 -0.00005 137 17 H 1S 0.01612 0.00419 0.01297 -0.00567 -0.00017 138 2S 0.02477 -0.00014 0.01710 -0.00732 -0.00038 139 18 H 1S 0.02356 -0.01370 -0.00498 -0.00836 0.00027 140 2S 0.02297 -0.02956 -0.00938 0.00074 0.00023 141 19 O 1S -0.00149 -0.00036 0.00011 0.00205 0.00009 142 2S 0.00641 0.00155 0.00106 -0.00568 -0.00030 143 2PX -0.00854 -0.02170 -0.00218 0.01803 -0.00010 144 2PY -0.00835 0.00126 0.00103 0.00503 0.00007 145 2PZ -0.01134 0.03542 -0.00041 -0.01215 -0.00015 146 3S 0.00588 -0.00152 -0.00014 -0.00465 -0.00071 147 3PX -0.00558 -0.02051 -0.00227 0.01529 0.00000 148 3PY -0.00722 0.00686 0.00143 0.00110 0.00011 149 3PZ -0.00619 0.03490 0.00288 -0.01450 -0.00016 150 4XX -0.00044 -0.00213 -0.00082 0.00124 0.00003 151 4YY 0.00061 -0.00047 0.00010 0.00001 0.00001 152 4ZZ -0.00002 0.00210 0.00084 -0.00107 -0.00001 153 4XY 0.00006 0.00107 0.00008 -0.00071 0.00001 154 4XZ 0.00034 -0.00041 0.00016 0.00001 0.00000 155 4YZ 0.00041 -0.00051 0.00017 -0.00003 0.00001 156 20 O 1S 0.00144 0.00170 -0.00117 -0.00120 0.00003 157 2S -0.00728 -0.00501 0.00105 0.00430 0.00029 158 2PX -0.02297 0.00607 -0.00431 0.01173 -0.00189 159 2PY 0.00489 -0.01113 -0.00433 0.00846 0.00082 160 2PZ 0.05106 0.00745 0.01535 -0.03940 0.00109 161 3S -0.00297 -0.01931 0.00177 0.00850 0.00056 162 3PX -0.01868 -0.00006 -0.00418 0.01153 -0.00131 163 3PY 0.00433 -0.01577 -0.00375 0.00898 0.00067 164 3PZ 0.03327 0.00944 0.01007 -0.02902 0.00086 165 4XX 0.00091 0.00020 0.00041 -0.00044 -0.00003 166 4YY 0.00034 -0.00150 -0.00035 0.00067 0.00004 167 4ZZ -0.00145 0.00106 -0.00060 0.00020 -0.00004 168 4XY -0.00080 -0.00012 -0.00034 0.00044 -0.00009 169 4XZ -0.00037 -0.00182 -0.00029 0.00077 0.00007 170 4YZ 0.00217 -0.00051 0.00048 -0.00129 0.00002 171 21 C 1S 0.00095 0.00300 0.00022 -0.00183 -0.00009 172 2S 0.00127 -0.01040 -0.00173 0.00465 0.00005 173 2PX -0.00188 0.00523 0.00230 -0.00312 -0.00001 174 2PY -0.00091 -0.00692 -0.00236 0.00256 0.00017 175 2PZ -0.00742 -0.00286 0.00161 0.00213 0.00037 176 3S 0.00125 -0.00937 -0.00196 0.00541 0.00004 177 3PX -0.00035 -0.01783 -0.00139 0.00728 -0.00007 178 3PY -0.00331 -0.00998 -0.00365 0.00533 0.00030 179 3PZ 0.00190 0.00053 0.00216 -0.00403 0.00023 180 4XX 0.00161 0.00123 0.00034 -0.00156 0.00007 181 4YY -0.00058 -0.00008 -0.00009 0.00036 -0.00007 182 4ZZ -0.00114 -0.00005 -0.00003 0.00055 0.00000 183 4XY 0.00034 -0.00088 0.00002 0.00038 0.00005 184 4XZ -0.00144 -0.00114 -0.00035 0.00147 0.00000 185 4YZ -0.00193 0.00131 -0.00034 0.00071 -0.00005 186 22 H 1S -0.00792 -0.00602 -0.00032 0.00599 0.00017 187 2S -0.01359 0.00451 -0.00105 0.00647 0.00001 188 23 H 1S 0.00698 0.00701 0.00194 -0.00765 0.00009 189 2S 0.01047 0.02741 0.00600 -0.02104 0.00027 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00055 0.00110 58 4XY 0.00010 -0.00021 0.00077 59 4XZ -0.00029 0.00017 -0.00002 0.00070 60 4YZ 0.00006 -0.00015 0.00032 -0.00039 0.00134 61 5 H 1S 0.00187 0.00087 0.00413 -0.00003 0.00776 62 2S -0.00152 0.00200 0.00450 0.00047 0.00806 63 6 H 1S -0.00398 0.00567 -0.00596 0.00815 -0.01198 64 2S -0.00348 0.00600 -0.00552 0.00608 -0.01152 65 7 C 1S -0.00010 0.00004 0.00000 0.00007 0.00005 66 2S 0.00011 -0.00016 -0.00028 -0.00010 0.00032 67 2PX 0.00035 -0.00074 0.00042 0.00113 0.00001 68 2PY -0.00051 0.00118 -0.00071 -0.00026 0.00007 69 2PZ -0.00016 0.00058 0.00046 -0.00087 -0.00003 70 3S 0.00130 -0.00033 -0.00078 -0.00070 -0.00103 71 3PX 0.00030 -0.00036 0.00031 0.00039 -0.00091 72 3PY -0.00056 0.00039 0.00069 0.00028 0.00071 73 3PZ 0.00012 0.00040 -0.00021 -0.00058 -0.00087 74 4XX 0.00004 0.00008 0.00016 0.00003 -0.00005 75 4YY 0.00000 0.00000 -0.00008 -0.00003 0.00004 76 4ZZ -0.00003 -0.00006 0.00002 0.00005 -0.00001 77 4XY -0.00008 0.00023 -0.00031 -0.00019 0.00002 78 4XZ -0.00006 0.00007 -0.00031 -0.00005 0.00011 79 4YZ 0.00008 -0.00020 0.00030 0.00021 -0.00004 80 8 H 1S -0.00033 0.00053 -0.00141 -0.00031 0.00024 81 2S -0.00052 0.00087 -0.00233 -0.00077 -0.00015 82 9 C 1S -0.00019 -0.00079 0.00064 0.00042 -0.00008 83 2S -0.00014 0.00054 -0.00110 -0.00088 0.00014 84 2PX 0.00203 -0.00379 0.00483 0.00371 -0.00084 85 2PY 0.00055 -0.00138 0.00092 0.00057 -0.00005 86 2PZ -0.00171 0.00331 -0.00453 -0.00410 0.00075 87 3S -0.00167 0.00223 -0.00139 -0.00138 0.00157 88 3PX 0.00135 -0.00275 0.00429 0.00246 0.00007 89 3PY -0.00028 -0.00112 0.00220 0.00125 0.00037 90 3PZ -0.00116 0.00202 -0.00254 -0.00261 0.00142 91 4XX 0.00002 0.00034 -0.00016 -0.00009 -0.00004 92 4YY 0.00008 -0.00010 0.00001 0.00003 0.00002 93 4ZZ -0.00005 -0.00020 0.00016 0.00007 -0.00003 94 4XY 0.00003 -0.00001 -0.00002 -0.00001 0.00002 95 4XZ 0.00004 -0.00024 0.00009 0.00012 0.00001 96 4YZ 0.00001 0.00005 0.00005 0.00003 -0.00003 97 10 H 1S 0.00024 -0.00076 0.00114 0.00097 -0.00011 98 2S 0.00047 -0.00211 0.00285 0.00166 0.00013 99 11 H 1S 0.00812 -0.00390 0.00110 -0.00251 0.00540 100 2S 0.00887 -0.00647 0.00127 -0.00294 0.00316 101 12 H 1S -0.00128 -0.00063 -0.00001 -0.00045 0.00187 102 2S -0.00111 -0.00081 -0.00060 -0.00118 0.00241 103 13 C 1S 0.00084 -0.00123 -0.00009 -0.00097 0.00088 104 2S -0.00166 0.00202 0.00010 0.00212 -0.00188 105 2PX -0.00297 0.00498 0.00083 0.00442 -0.00293 106 2PY 0.00122 -0.00142 -0.00141 -0.00173 0.00217 107 2PZ -0.00318 0.00489 0.00066 0.00494 -0.00269 108 3S -0.00463 0.00425 -0.00151 0.00276 -0.00347 109 3PX -0.00173 0.00267 -0.00010 0.00257 -0.00249 110 3PY -0.00016 -0.00012 -0.00119 -0.00113 0.00223 111 3PZ -0.00177 0.00200 -0.00006 0.00265 -0.00177 112 4XX -0.00013 0.00034 -0.00024 -0.00028 -0.00002 113 4YY 0.00035 -0.00027 0.00006 -0.00006 0.00004 114 4ZZ -0.00012 -0.00016 0.00026 0.00023 0.00020 115 4XY -0.00008 -0.00007 -0.00006 -0.00010 0.00004 116 4XZ -0.00025 0.00033 0.00008 0.00020 0.00006 117 4YZ -0.00006 -0.00005 -0.00005 -0.00018 0.00002 118 14 H 1S 0.00025 -0.00164 0.00075 -0.00061 0.00052 119 2S 0.00042 -0.00286 0.00152 -0.00015 0.00176 120 15 H 1S 0.00001 -0.00025 -0.00095 -0.00152 0.00018 121 2S 0.00008 0.00050 -0.00209 -0.00261 0.00057 122 16 C 1S -0.00016 0.00006 -0.00019 -0.00011 -0.00014 123 2S 0.00029 -0.00012 0.00042 0.00015 0.00067 124 2PX -0.00029 0.00036 -0.00099 -0.00019 0.00117 125 2PY -0.00184 0.00130 0.00100 0.00036 0.00007 126 2PZ -0.00088 0.00025 0.00074 0.00048 0.00095 127 3S 0.00200 -0.00190 0.00316 0.00127 0.00103 128 3PX -0.00052 0.00053 -0.00054 -0.00016 0.00135 129 3PY -0.00223 0.00173 0.00070 0.00043 0.00022 130 3PZ -0.00037 -0.00022 0.00025 0.00036 0.00098 131 4XX 0.00001 -0.00005 0.00043 0.00007 -0.00011 132 4YY -0.00009 0.00003 -0.00006 -0.00001 0.00010 133 4ZZ 0.00003 0.00008 -0.00040 -0.00004 -0.00011 134 4XY 0.00007 -0.00016 -0.00004 -0.00014 0.00020 135 4XZ 0.00004 -0.00002 0.00000 0.00002 -0.00009 136 4YZ 0.00002 -0.00011 -0.00006 -0.00013 0.00019 137 17 H 1S 0.00009 0.00061 -0.00118 -0.00007 -0.00062 138 2S -0.00011 0.00099 -0.00307 -0.00015 -0.00105 139 18 H 1S -0.00023 0.00005 0.00205 0.00071 -0.00073 140 2S -0.00044 0.00039 0.00214 0.00074 -0.00096 141 19 O 1S 0.00005 -0.00009 0.00039 -0.00001 -0.00016 142 2S -0.00012 0.00025 -0.00091 -0.00006 0.00020 143 2PX 0.00069 0.00045 0.00128 -0.00034 -0.00087 144 2PY 0.00036 -0.00042 0.00035 0.00013 -0.00017 145 2PZ -0.00069 -0.00152 -0.00076 0.00058 0.00064 146 3S -0.00058 0.00027 -0.00184 -0.00001 0.00139 147 3PX 0.00055 0.00055 0.00063 -0.00044 -0.00081 148 3PY 0.00039 -0.00036 0.00066 0.00009 -0.00040 149 3PZ -0.00043 -0.00104 -0.00052 0.00047 0.00035 150 4XX 0.00000 -0.00003 0.00005 -0.00001 -0.00004 151 4YY 0.00000 0.00003 -0.00008 -0.00003 -0.00002 152 4ZZ 0.00005 0.00005 0.00003 -0.00001 -0.00007 153 4XY -0.00002 -0.00004 -0.00002 0.00001 0.00004 154 4XZ -0.00001 0.00003 -0.00012 0.00000 0.00004 155 4YZ 0.00004 0.00001 0.00008 0.00002 -0.00002 156 20 O 1S 0.00028 0.00067 -0.00019 -0.00018 0.00005 157 2S -0.00039 -0.00127 0.00052 0.00032 0.00006 158 2PX 0.00082 0.00346 -0.00193 -0.00084 0.00022 159 2PY 0.00040 0.00045 0.00018 -0.00034 -0.00009 160 2PZ -0.00148 -0.00451 0.00238 0.00090 0.00001 161 3S -0.00028 -0.00241 0.00047 0.00121 -0.00080 162 3PX 0.00044 0.00271 -0.00153 -0.00093 0.00048 163 3PY 0.00032 0.00014 -0.00013 -0.00014 -0.00010 164 3PZ -0.00085 -0.00364 0.00237 0.00098 0.00000 165 4XX -0.00010 0.00012 -0.00017 -0.00017 0.00007 166 4YY 0.00003 0.00001 0.00003 -0.00002 0.00007 167 4ZZ 0.00006 0.00005 0.00013 0.00009 -0.00001 168 4XY 0.00003 0.00014 -0.00008 -0.00003 0.00004 169 4XZ 0.00002 -0.00007 0.00003 0.00004 0.00001 170 4YZ -0.00009 -0.00013 0.00005 -0.00001 0.00001 171 21 C 1S 0.00002 -0.00012 0.00007 0.00017 -0.00003 172 2S -0.00008 0.00036 -0.00038 -0.00037 0.00012 173 2PX -0.00020 -0.00074 0.00013 0.00031 0.00002 174 2PY -0.00003 -0.00072 0.00085 0.00048 -0.00029 175 2PZ 0.00024 -0.00003 -0.00004 0.00002 0.00005 176 3S -0.00007 0.00060 -0.00040 -0.00059 0.00008 177 3PX 0.00005 -0.00013 -0.00075 -0.00011 0.00037 178 3PY 0.00019 -0.00076 0.00114 0.00051 -0.00010 179 3PZ -0.00008 -0.00071 0.00007 0.00021 0.00013 180 4XX -0.00006 -0.00019 0.00006 0.00005 0.00002 181 4YY 0.00001 0.00006 -0.00001 -0.00003 -0.00001 182 4ZZ 0.00006 0.00007 0.00001 0.00000 -0.00002 183 4XY 0.00001 -0.00007 0.00009 0.00002 -0.00002 184 4XZ 0.00009 0.00016 -0.00003 -0.00003 -0.00001 185 4YZ 0.00002 0.00013 -0.00014 -0.00003 0.00003 186 22 H 1S 0.00029 0.00050 -0.00017 -0.00018 -0.00001 187 2S 0.00042 0.00117 0.00023 -0.00015 -0.00039 188 23 H 1S -0.00041 -0.00097 0.00025 0.00031 0.00007 189 2S -0.00060 -0.00197 0.00113 0.00088 -0.00011 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.17508 0.16429 63 6 H 1S -0.02200 -0.02493 0.21724 64 2S -0.02493 -0.03128 0.17508 0.16429 65 7 C 1S -0.00020 -0.00032 0.00002 -0.00006 2.05261 66 2S 0.00178 0.00115 -0.00081 -0.00124 -0.06334 67 2PX -0.00449 -0.01194 -0.00140 0.00782 0.01176 68 2PY 0.00132 0.00115 0.00105 0.00046 0.00634 69 2PZ 0.00415 0.00746 -0.00024 -0.00694 0.01404 70 3S -0.00487 -0.00908 0.00819 0.01022 -0.17197 71 3PX -0.01027 -0.01681 0.00087 0.00998 0.02120 72 3PY 0.00725 0.01081 -0.00425 -0.00992 0.00657 73 3PZ -0.00468 -0.00448 0.00481 0.00221 0.00675 74 4XX 0.00094 0.00039 0.00001 -0.00018 -0.01239 75 4YY -0.00008 -0.00004 0.00001 -0.00014 -0.01714 76 4ZZ -0.00042 0.00006 -0.00010 0.00003 -0.01510 77 4XY -0.00001 -0.00063 0.00040 0.00092 0.00069 78 4XZ -0.00034 -0.00061 0.00019 0.00060 -0.00382 79 4YZ -0.00014 0.00044 -0.00037 -0.00057 0.00389 80 8 H 1S -0.00203 -0.00328 0.00126 0.00342 -0.06712 81 2S -0.00887 -0.01223 0.00406 0.00957 -0.01673 82 9 C 1S 0.00002 -0.00007 -0.00020 -0.00032 0.01932 83 2S -0.00081 -0.00124 0.00178 0.00115 -0.04074 84 2PX -0.00140 0.00782 -0.00449 -0.01194 0.01093 85 2PY -0.00105 -0.00046 -0.00132 -0.00115 -0.08149 86 2PZ -0.00024 -0.00694 0.00415 0.00746 -0.00945 87 3S 0.00819 0.01022 -0.00487 -0.00908 0.00367 88 3PX 0.00087 0.00998 -0.01027 -0.01681 0.00176 89 3PY 0.00425 0.00992 -0.00725 -0.01081 -0.00214 90 3PZ 0.00481 0.00221 -0.00468 -0.00448 -0.00505 91 4XX 0.00001 -0.00018 0.00094 0.00039 0.00306 92 4YY 0.00001 -0.00014 -0.00008 -0.00004 -0.00652 93 4ZZ -0.00010 0.00003 -0.00042 0.00006 0.00376 94 4XY -0.00040 -0.00092 0.00001 0.00063 0.00011 95 4XZ 0.00019 0.00060 -0.00034 -0.00061 0.00126 96 4YZ 0.00037 0.00057 0.00014 -0.00044 0.00093 97 10 H 1S 0.00126 0.00342 -0.00203 -0.00328 0.01685 98 2S 0.00406 0.00957 -0.00887 -0.01223 0.02111 99 11 H 1S -0.00954 -0.01804 -0.02322 -0.02695 -0.00158 100 2S -0.02017 -0.02680 -0.02780 -0.03281 -0.00290 101 12 H 1S -0.02322 -0.02696 -0.00954 -0.01804 0.00351 102 2S -0.02780 -0.03281 -0.02017 -0.02680 0.00299 103 13 C 1S -0.00076 -0.00031 -0.00724 -0.00969 -0.00111 104 2S 0.00121 0.00002 0.01592 0.02215 0.00217 105 2PX 0.00236 -0.00181 0.02367 0.04597 0.00249 106 2PY 0.00106 0.00123 -0.01141 -0.01667 0.00146 107 2PZ 0.00145 -0.00429 0.02600 0.05316 0.00247 108 3S 0.00394 0.00086 0.04112 0.05160 0.00506 109 3PX 0.00100 -0.00221 0.02444 0.03546 0.00016 110 3PY 0.00013 -0.00083 -0.01411 -0.01672 0.00059 111 3PZ -0.00072 -0.00433 0.01727 0.03122 0.00228 112 4XX -0.00012 -0.00076 0.00073 0.00122 -0.00015 113 4YY -0.00007 -0.00031 0.00006 -0.00009 0.00001 114 4ZZ 0.00081 0.00187 -0.00217 -0.00316 -0.00016 115 4XY 0.00086 0.00188 -0.00056 -0.00134 -0.00002 116 4XZ 0.00019 0.00024 -0.00043 0.00063 0.00023 117 4YZ 0.00072 0.00174 -0.00069 -0.00166 -0.00005 118 14 H 1S 0.00337 0.00973 -0.00920 -0.02129 -0.00089 119 2S 0.00687 0.01666 -0.02202 -0.03594 -0.00225 120 15 H 1S -0.00040 0.00019 0.00019 -0.00468 -0.00017 121 2S 0.00029 -0.00060 0.00013 -0.00455 -0.00101 122 16 C 1S -0.00724 -0.00969 -0.00076 -0.00031 -0.00252 123 2S 0.01592 0.02215 0.00121 0.00002 0.00388 124 2PX 0.02366 0.04596 0.00236 -0.00181 0.00833 125 2PY 0.01142 0.01668 -0.00106 -0.00123 0.00134 126 2PZ 0.02600 0.05317 0.00145 -0.00429 -0.00374 127 3S 0.04112 0.05161 0.00394 0.00086 0.01272 128 3PX 0.02444 0.03546 0.00101 -0.00221 0.00698 129 3PY 0.01411 0.01672 -0.00013 0.00083 0.00303 130 3PZ 0.01728 0.03123 -0.00072 -0.00433 -0.00322 131 4XX 0.00073 0.00122 -0.00012 -0.00076 -0.00136 132 4YY 0.00006 -0.00009 -0.00007 -0.00031 0.00003 133 4ZZ -0.00217 -0.00316 0.00081 0.00188 0.00050 134 4XY 0.00056 0.00134 -0.00086 -0.00188 0.00038 135 4XZ -0.00043 0.00063 0.00019 0.00024 0.00042 136 4YZ 0.00069 0.00166 -0.00072 -0.00174 -0.00008 137 17 H 1S -0.00920 -0.02129 0.00337 0.00973 0.00527 138 2S -0.02202 -0.03595 0.00687 0.01666 0.00154 139 18 H 1S 0.00019 -0.00468 -0.00040 0.00019 -0.00569 140 2S 0.00012 -0.00455 0.00029 -0.00060 -0.00774 141 19 O 1S 0.00130 -0.00056 -0.00024 -0.00051 0.00575 142 2S -0.00406 -0.00094 0.00104 0.00232 -0.01014 143 2PX 0.00787 -0.00138 0.00036 -0.00181 0.05526 144 2PY -0.00129 0.00569 0.00029 -0.00247 0.02650 145 2PZ -0.01335 0.00826 -0.00077 -0.00436 0.03854 146 3S 0.00048 0.00858 -0.00178 -0.00258 0.00859 147 3PX 0.00364 -0.00378 0.00173 0.00070 0.02443 148 3PY -0.00134 0.00262 0.00055 -0.00096 0.02158 149 3PZ -0.01084 0.00332 -0.00012 -0.00156 0.01944 150 4XX -0.00012 0.00019 0.00000 -0.00020 -0.00264 151 4YY -0.00052 -0.00103 0.00012 0.00029 -0.00114 152 4ZZ 0.00005 -0.00066 0.00016 0.00056 -0.00133 153 4XY -0.00015 0.00023 -0.00010 -0.00003 -0.00424 154 4XZ -0.00039 -0.00027 0.00005 0.00015 -0.00528 155 4YZ 0.00060 -0.00033 -0.00007 0.00010 -0.00346 156 20 O 1S -0.00024 -0.00051 0.00130 -0.00056 -0.00167 157 2S 0.00104 0.00232 -0.00406 -0.00094 0.00707 158 2PX 0.00036 -0.00181 0.00787 -0.00138 -0.00948 159 2PY -0.00029 0.00247 0.00129 -0.00569 0.02371 160 2PZ -0.00077 -0.00436 -0.01335 0.00826 0.00044 161 3S -0.00178 -0.00258 0.00048 0.00858 -0.00449 162 3PX 0.00173 0.00070 0.00364 -0.00378 -0.00713 163 3PY -0.00055 0.00096 0.00134 -0.00262 0.01439 164 3PZ -0.00012 -0.00156 -0.01084 0.00332 0.00259 165 4XX 0.00000 -0.00020 -0.00012 0.00019 0.00035 166 4YY 0.00012 0.00029 -0.00052 -0.00103 0.00145 167 4ZZ 0.00016 0.00056 0.00005 -0.00066 0.00100 168 4XY 0.00010 0.00003 0.00015 -0.00023 0.00095 169 4XZ 0.00005 0.00015 -0.00039 -0.00027 -0.00014 170 4YZ 0.00007 -0.00010 -0.00060 0.00033 0.00075 171 21 C 1S -0.00011 0.00008 -0.00011 0.00008 -0.00314 172 2S -0.00046 -0.00106 -0.00046 -0.00106 0.00673 173 2PX -0.00046 0.00132 -0.00046 0.00132 -0.01268 174 2PY 0.00124 0.00019 -0.00124 -0.00019 0.00315 175 2PZ -0.00164 0.00139 -0.00164 0.00139 -0.00739 176 3S 0.00059 -0.00065 0.00059 -0.00065 0.01015 177 3PX -0.00267 -0.00264 -0.00267 -0.00264 -0.01056 178 3PY 0.00270 0.00379 -0.00270 -0.00379 0.00295 179 3PZ -0.00340 -0.00048 -0.00340 -0.00048 -0.00561 180 4XX -0.00036 -0.00001 -0.00036 -0.00001 -0.00080 181 4YY 0.00005 -0.00008 0.00005 -0.00008 0.00216 182 4ZZ 0.00009 -0.00007 0.00009 -0.00007 -0.00173 183 4XY 0.00016 0.00016 -0.00016 -0.00016 0.00068 184 4XZ 0.00029 -0.00016 0.00029 -0.00016 -0.00080 185 4YZ -0.00048 0.00036 0.00048 -0.00036 0.00033 186 22 H 1S 0.00013 0.00040 0.00013 0.00040 -0.00640 187 2S 0.00523 0.00336 0.00523 0.00336 -0.00610 188 23 H 1S -0.00125 0.00030 -0.00125 0.00030 -0.00128 189 2S -0.00258 0.00181 -0.00258 0.00182 0.00094 66 67 68 69 70 66 2S 0.33257 67 2PX -0.01998 0.35371 68 2PY -0.01501 -0.03631 0.42805 69 2PZ -0.02170 -0.01905 -0.02885 0.37250 70 3S 0.27273 -0.08760 0.01081 -0.02659 0.29972 71 3PX -0.04292 0.18177 -0.03494 -0.08694 -0.06708 72 3PY -0.00325 -0.04956 0.11867 0.01997 -0.00400 73 3PZ -0.02185 -0.07208 0.00936 0.15203 0.00051 74 4XX -0.01159 0.01053 0.00768 0.01099 -0.00903 75 4YY -0.00125 -0.00616 -0.01253 -0.00529 -0.00021 76 4ZZ -0.00556 -0.00141 0.01278 -0.00455 -0.00500 77 4XY -0.00120 0.00172 0.00375 0.01206 -0.00208 78 4XZ 0.00899 0.00965 0.01029 0.00675 0.00357 79 4YZ -0.00798 0.01323 -0.00743 0.00864 -0.01236 80 8 H 1S 0.13219 -0.07497 0.16957 -0.18397 0.13427 81 2S 0.03913 -0.03835 0.14224 -0.16121 0.04263 82 9 C 1S -0.04074 0.01094 0.08149 -0.00946 0.00367 83 2S 0.07597 -0.02249 -0.16744 0.01923 0.02478 84 2PX -0.02249 0.16290 -0.01403 -0.10689 -0.04728 85 2PY 0.16745 0.01403 -0.32253 -0.03102 0.13773 86 2PZ 0.01923 -0.10689 0.03102 0.12973 0.06413 87 3S 0.02478 -0.04729 -0.13773 0.06414 -0.03678 88 3PX -0.00269 0.10791 -0.01351 -0.06752 -0.02455 89 3PY 0.01919 0.01646 -0.09538 -0.01934 -0.00689 90 3PZ 0.01675 -0.06605 0.03741 0.08653 0.03436 91 4XX -0.00698 -0.00153 0.01249 0.00060 -0.00353 92 4YY 0.01196 0.00050 -0.00768 0.00132 0.01095 93 4ZZ -0.00871 0.00354 0.01074 -0.00492 -0.00908 94 4XY -0.00072 0.01305 -0.00508 -0.00442 -0.00647 95 4XZ -0.00299 -0.00134 0.00510 0.00098 -0.00359 96 4YZ -0.00176 -0.00411 -0.00039 0.01358 -0.00473 97 10 H 1S -0.03778 0.01256 0.04264 -0.00218 -0.07011 98 2S -0.04291 0.02474 0.07153 0.00607 -0.06765 99 11 H 1S 0.00237 0.00430 -0.00874 -0.00434 0.01882 100 2S 0.00462 -0.00196 -0.01591 0.00488 0.02529 101 12 H 1S -0.00613 0.01582 -0.01298 -0.00548 -0.02333 102 2S -0.00426 0.02177 -0.01746 -0.01240 -0.02506 103 13 C 1S 0.00181 -0.00869 0.00054 0.00636 0.00590 104 2S -0.00414 0.01776 -0.00136 -0.01399 -0.00783 105 2PX -0.00432 0.02088 0.00079 -0.01474 -0.01472 106 2PY -0.00201 0.00592 0.00077 -0.00442 -0.00700 107 2PZ -0.00326 0.01050 0.00034 -0.01052 -0.01729 108 3S -0.00646 0.06640 -0.01066 -0.04808 -0.02351 109 3PX 0.00019 0.00533 0.00062 0.00110 -0.00234 110 3PY 0.00054 -0.00025 0.00522 0.00526 -0.00615 111 3PZ -0.00320 0.01257 0.00323 -0.01130 -0.01200 112 4XX 0.00025 -0.00239 0.00105 0.00074 0.00063 113 4YY -0.00008 0.00133 -0.00075 -0.00048 -0.00002 114 4ZZ 0.00035 0.00044 -0.00031 -0.00004 -0.00020 115 4XY -0.00012 -0.00015 -0.00039 0.00053 -0.00068 116 4XZ -0.00039 0.00156 0.00014 -0.00103 -0.00133 117 4YZ 0.00009 -0.00041 0.00071 0.00021 0.00091 118 14 H 1S 0.00093 0.00030 0.00055 0.00171 0.00695 119 2S 0.00354 -0.01051 0.00519 0.00986 0.00816 120 15 H 1S -0.00011 -0.00824 0.00090 0.00462 0.00309 121 2S 0.00165 -0.02949 0.00628 0.02402 0.00910 122 16 C 1S 0.00480 -0.00742 0.00329 0.00118 0.00752 123 2S -0.00790 0.02077 -0.00691 -0.00214 -0.01862 124 2PX -0.01838 0.02875 -0.01257 -0.00752 -0.03651 125 2PY -0.00289 0.00193 -0.00483 0.00437 -0.00836 126 2PZ 0.00643 -0.00451 0.00858 -0.00897 0.02679 127 3S -0.02730 0.02701 -0.02356 -0.01480 -0.03284 128 3PX -0.01248 0.00066 -0.00632 -0.00749 -0.01725 129 3PY -0.00508 0.01966 -0.00940 -0.00328 -0.01615 130 3PZ 0.00394 -0.00522 0.00968 -0.01192 0.01053 131 4XX 0.00219 -0.00744 0.00215 0.00482 0.00463 132 4YY -0.00022 0.00284 -0.00071 -0.00169 -0.00125 133 4ZZ -0.00107 0.00457 -0.00135 -0.00251 -0.00270 134 4XY -0.00071 0.00066 -0.00040 -0.00003 -0.00136 135 4XZ -0.00107 0.00081 -0.00036 0.00008 -0.00062 136 4YZ 0.00035 0.00036 -0.00022 -0.00084 0.00098 137 17 H 1S -0.00989 0.02034 -0.00879 -0.00529 -0.03049 138 2S -0.00350 0.01468 -0.00001 -0.01675 -0.02130 139 18 H 1S 0.01142 -0.02669 0.00982 0.01420 0.02483 140 2S 0.01691 -0.06151 0.01884 0.03321 0.03965 141 19 O 1S -0.00817 -0.02660 -0.00953 -0.02436 0.03492 142 2S 0.01261 0.06257 0.03255 0.05495 -0.08913 143 2PX -0.11975 -0.16220 -0.10594 -0.18093 -0.03539 144 2PY -0.05514 -0.08201 -0.03446 -0.07953 -0.06759 145 2PZ -0.07484 -0.18836 -0.07733 -0.08634 -0.08963 146 3S -0.01458 0.03694 -0.02900 0.05864 -0.13468 147 3PX -0.05739 -0.09467 -0.05562 -0.08461 -0.00258 148 3PY -0.04412 -0.05065 -0.03049 -0.06483 -0.05256 149 3PZ -0.03656 -0.09280 -0.04358 -0.06402 -0.05651 150 4XX 0.00397 -0.00732 0.00643 0.00497 0.00520 151 4YY 0.00121 0.00361 0.00068 0.00434 0.00233 152 4ZZ 0.00154 0.00646 0.00547 -0.00851 0.00370 153 4XY 0.00849 0.00830 -0.00376 0.00942 0.00425 154 4XZ 0.00877 0.00426 0.00366 0.00103 0.00578 155 4YZ 0.00613 0.01220 -0.00314 0.00307 0.00522 156 20 O 1S 0.00506 0.00607 -0.00187 0.00720 -0.02204 157 2S -0.01595 -0.01455 0.01745 -0.01527 0.04462 158 2PX 0.02371 -0.05406 -0.04110 0.03138 0.03899 159 2PY -0.05641 -0.02195 0.05732 -0.01759 -0.12848 160 2PZ -0.00376 0.05069 -0.04293 -0.05475 -0.01854 161 3S -0.00280 -0.04409 -0.02610 -0.04176 0.08732 162 3PX 0.01771 -0.04782 -0.02586 0.03641 0.03135 163 3PY -0.03754 -0.02403 0.04144 -0.00843 -0.08185 164 3PZ -0.00728 0.05534 -0.03221 -0.04924 -0.02233 165 4XX -0.00011 -0.00296 0.00359 0.00422 0.00069 166 4YY -0.00240 -0.00041 0.00269 0.00110 -0.00732 167 4ZZ -0.00105 0.00402 0.00273 -0.00165 -0.00196 168 4XY -0.00216 -0.00302 0.00611 0.00029 0.00006 169 4XZ 0.00039 0.00122 -0.00119 0.00038 0.00026 170 4YZ -0.00153 -0.00079 0.00423 0.00014 0.00025 171 21 C 1S 0.00638 0.01152 -0.00990 0.00088 0.00659 172 2S -0.01754 -0.03150 0.03286 0.00092 -0.00918 173 2PX 0.03068 0.02354 -0.02100 0.02323 0.04600 174 2PY -0.00785 -0.03052 -0.02359 -0.03727 0.01697 175 2PZ 0.01915 0.02701 -0.00822 -0.00102 0.03497 176 3S -0.01295 -0.04935 0.04941 -0.00081 0.00519 177 3PX 0.01965 -0.00272 -0.01598 0.03444 0.02794 178 3PY -0.00740 -0.03169 -0.00309 -0.02777 0.00490 179 3PZ 0.00943 0.01389 -0.00428 -0.00634 0.00687 180 4XX 0.00210 0.00733 0.00190 0.00471 -0.00284 181 4YY -0.00472 -0.00926 -0.00494 -0.00647 -0.00306 182 4ZZ 0.00371 0.00745 0.00112 0.00216 0.00512 183 4XY -0.00166 -0.00086 0.00201 -0.00227 -0.00068 184 4XZ 0.00197 0.00588 -0.00055 0.00268 0.00163 185 4YZ -0.00055 -0.00624 0.00076 0.00037 -0.00114 186 22 H 1S 0.01540 0.02376 0.00702 0.01455 0.03113 187 2S 0.01493 0.04140 -0.00541 0.01429 0.02963 188 23 H 1S 0.00252 0.00527 0.00494 0.00591 -0.00400 189 2S -0.00186 0.03559 -0.00678 -0.02527 -0.02480 71 72 73 74 75 71 3PX 0.12473 72 3PY -0.03310 0.05430 73 3PZ -0.06146 0.02263 0.08174 74 4XX 0.00247 0.00219 0.00351 0.00257 75 4YY 0.00008 -0.00157 -0.00049 -0.00066 0.00122 76 4ZZ -0.00044 0.00161 -0.00234 -0.00051 -0.00036 77 4XY -0.00129 0.00261 0.00470 0.00076 -0.00008 78 4XZ 0.00042 0.00122 -0.00012 0.00029 -0.00086 79 4YZ 0.00582 -0.00152 0.00033 0.00050 -0.00004 80 8 H 1S -0.02269 0.03640 -0.06121 -0.00934 -0.00167 81 2S 0.00484 0.02193 -0.05495 -0.00724 -0.00147 82 9 C 1S 0.00176 0.00213 -0.00504 0.00306 -0.00652 83 2S -0.00269 -0.01919 0.01675 -0.00698 0.01196 84 2PX 0.10791 -0.01647 -0.06605 -0.00153 0.00050 85 2PY 0.01351 -0.09538 -0.03741 -0.01249 0.00768 86 2PZ -0.06752 0.01934 0.08653 0.00060 0.00132 87 3S -0.02455 0.00690 0.03436 -0.00353 0.01095 88 3PX 0.06258 -0.01792 -0.05315 -0.00135 -0.00199 89 3PY 0.01792 -0.01861 -0.01742 -0.00402 0.00317 90 3PZ -0.05315 0.01742 0.04910 0.00175 -0.00132 91 4XX -0.00135 0.00402 0.00175 0.00068 -0.00030 92 4YY -0.00199 -0.00317 -0.00132 -0.00030 -0.00012 93 4ZZ 0.00425 0.00188 -0.00197 0.00019 -0.00031 94 4XY 0.00819 -0.00235 -0.00436 0.00013 -0.00009 95 4XZ 0.00003 0.00294 0.00229 0.00006 0.00025 96 4YZ -0.00509 0.00302 0.00620 0.00048 -0.00008 97 10 H 1S 0.00642 0.02493 -0.00021 0.00263 0.00051 98 2S 0.00799 0.02647 -0.00149 0.00349 -0.00296 99 11 H 1S 0.00227 -0.00882 -0.00334 -0.00027 0.00011 100 2S -0.00329 -0.00984 0.00171 0.00020 0.00003 101 12 H 1S 0.01586 0.00394 -0.00445 0.00013 0.00115 102 2S 0.01979 0.00221 -0.00895 -0.00085 0.00170 103 13 C 1S -0.00658 0.00087 0.00574 -0.00012 0.00005 104 2S 0.01730 -0.00302 -0.00704 0.00019 0.00008 105 2PX 0.01932 0.00355 -0.00955 0.00068 -0.00046 106 2PY 0.00217 0.00163 -0.00872 0.00028 0.00026 107 2PZ 0.01182 -0.00358 -0.00538 -0.00014 0.00027 108 3S 0.04974 -0.01821 -0.03325 -0.00132 -0.00051 109 3PX 0.00345 0.00167 -0.00066 0.00064 -0.00060 110 3PY -0.00337 0.00512 -0.00081 0.00024 0.00012 111 3PZ 0.01093 -0.00281 -0.00581 -0.00021 -0.00002 112 4XX -0.00100 -0.00021 0.00097 -0.00006 0.00007 113 4YY 0.00067 -0.00047 -0.00066 0.00003 -0.00001 114 4ZZ -0.00017 0.00081 -0.00019 -0.00002 -0.00003 115 4XY -0.00054 -0.00060 -0.00011 0.00007 -0.00001 116 4XZ 0.00122 -0.00003 -0.00086 0.00001 -0.00003 117 4YZ -0.00033 0.00057 0.00004 0.00002 -0.00003 118 14 H 1S -0.00101 0.00437 0.00150 0.00022 -0.00037 119 2S -0.01119 0.01101 0.00609 0.00037 -0.00044 120 15 H 1S -0.00533 -0.00560 0.00481 -0.00021 0.00033 121 2S -0.02228 -0.00152 0.01616 0.00068 0.00028 122 16 C 1S -0.00620 0.00413 0.00045 -0.00102 0.00005 123 2S 0.00786 -0.00703 -0.00999 0.00157 -0.00062 124 2PX 0.01115 -0.02235 -0.01893 0.00369 -0.00094 125 2PY -0.00189 -0.00382 0.00286 0.00007 -0.00025 126 2PZ -0.00121 0.01032 -0.00721 -0.00053 -0.00026 127 3S 0.01694 -0.01115 -0.01681 0.00053 0.00010 128 3PX -0.00040 -0.00820 -0.00773 0.00120 0.00021 129 3PY 0.01069 -0.00503 -0.00600 -0.00009 -0.00016 130 3PZ -0.00267 0.00539 -0.00719 -0.00164 -0.00010 131 4XX -0.00474 0.00286 0.00364 0.00008 -0.00005 132 4YY 0.00209 -0.00033 -0.00131 -0.00006 0.00005 133 4ZZ 0.00276 -0.00257 -0.00178 -0.00011 0.00000 134 4XY 0.00007 -0.00068 -0.00051 0.00012 -0.00001 135 4XZ 0.00061 -0.00055 -0.00031 0.00013 -0.00004 136 4YZ 0.00028 0.00030 -0.00062 -0.00010 0.00003 137 17 H 1S 0.00988 -0.01592 -0.00562 0.00064 -0.00016 138 2S 0.00873 -0.01604 -0.00796 -0.00125 0.00008 139 18 H 1S -0.01504 0.01742 0.01523 -0.00108 0.00009 140 2S -0.03712 0.02693 0.03099 -0.00018 0.00024 141 19 O 1S 0.00475 -0.01020 0.00953 -0.00322 0.00182 142 2S -0.01373 0.02120 -0.02437 0.00839 -0.00409 143 2PX -0.03146 -0.01152 -0.03240 0.00944 0.00918 144 2PY 0.02143 0.04807 -0.00628 -0.01046 0.01653 145 2PZ -0.07251 -0.03327 -0.03092 -0.02940 0.00565 146 3S -0.02484 0.01206 -0.02986 0.00468 -0.00024 147 3PX -0.02166 0.00067 -0.00691 0.00783 0.00558 148 3PY 0.01952 0.02862 -0.00930 -0.00632 0.01096 149 3PZ -0.03126 -0.02423 -0.02964 -0.02040 0.00316 150 4XX -0.00493 0.00303 0.00340 -0.00032 -0.00004 151 4YY -0.00108 -0.00265 0.00113 0.00061 -0.00085 152 4ZZ 0.00568 0.00102 -0.00309 0.00039 0.00003 153 4XY 0.00179 -0.00214 0.00152 -0.00057 -0.00024 154 4XZ 0.00025 0.00086 -0.00111 -0.00006 -0.00022 155 4YZ 0.00470 -0.00169 -0.00029 0.00114 -0.00030 156 20 O 1S -0.00010 0.00839 -0.00190 0.00001 -0.00112 157 2S 0.00142 -0.01356 0.00723 0.00037 0.00166 158 2PX -0.06129 -0.00425 0.00347 0.00316 -0.00309 159 2PY 0.02257 0.07207 0.02405 -0.00010 0.00537 160 2PZ 0.06051 -0.04181 -0.03842 -0.00257 -0.00238 161 3S -0.00886 -0.03795 -0.00346 -0.00165 0.00285 162 3PX -0.05161 0.00043 0.01115 0.00260 -0.00146 163 3PY 0.00997 0.05020 0.01958 -0.00019 0.00403 164 3PZ 0.05505 -0.03131 -0.03403 -0.00153 -0.00135 165 4XX -0.00177 0.00133 0.00260 -0.00003 0.00007 166 4YY 0.00045 0.00374 0.00171 0.00023 0.00005 167 4ZZ 0.00144 0.00125 -0.00161 0.00020 -0.00008 168 4XY -0.00314 0.00169 0.00009 0.00042 -0.00039 169 4XZ 0.00113 0.00043 0.00069 -0.00002 0.00029 170 4YZ -0.00006 -0.00031 -0.00022 0.00011 -0.00036 171 21 C 1S 0.00869 -0.00707 -0.00110 -0.00090 0.00096 172 2S -0.01919 0.01699 0.00906 0.00265 -0.00239 173 2PX 0.02153 -0.00387 0.00788 -0.00613 0.00375 174 2PY -0.02818 -0.02953 -0.02186 0.00294 -0.00283 175 2PZ 0.02188 0.00445 -0.00484 -0.00296 0.00195 176 3S -0.02303 0.02301 0.01582 0.00059 -0.00173 177 3PX -0.00700 0.00175 0.01561 -0.00036 0.00157 178 3PY -0.01051 0.00031 -0.00461 -0.00021 0.00093 179 3PZ 0.01224 -0.00257 -0.00742 -0.00345 0.00071 180 4XX 0.00316 -0.00097 0.00061 -0.00048 -0.00031 181 4YY -0.00456 -0.00140 -0.00241 0.00034 0.00017 182 4ZZ 0.00388 0.00126 0.00065 0.00021 0.00013 183 4XY 0.00386 0.00347 0.00208 -0.00027 0.00068 184 4XZ 0.00126 0.00086 0.00070 0.00104 -0.00015 185 4YZ -0.00306 0.00150 0.00113 -0.00104 0.00032 186 22 H 1S 0.01289 0.01181 0.00640 0.00094 0.00056 187 2S 0.01984 0.00734 0.00350 0.00366 0.00073 188 23 H 1S 0.00739 -0.00321 0.00178 -0.00398 -0.00002 189 2S 0.03243 -0.01792 -0.02142 -0.00782 0.00013 76 77 78 79 80 76 4ZZ 0.00177 77 4XY -0.00055 0.00157 78 4XZ 0.00049 0.00038 0.00159 79 4YZ 0.00000 0.00056 0.00008 0.00181 80 8 H 1S 0.00676 -0.00634 0.00355 -0.01345 0.21512 81 2S 0.00844 -0.00604 0.00266 -0.01024 0.15897 82 9 C 1S 0.00376 -0.00011 0.00126 -0.00093 0.01686 83 2S -0.00871 0.00072 -0.00299 0.00176 -0.03778 84 2PX 0.00354 -0.01305 -0.00134 0.00411 0.01256 85 2PY -0.01074 -0.00508 -0.00510 -0.00039 -0.04264 86 2PZ -0.00492 0.00442 0.00098 -0.01358 -0.00218 87 3S -0.00908 0.00648 -0.00359 0.00473 -0.07012 88 3PX 0.00425 -0.00819 0.00003 0.00509 0.00642 89 3PY -0.00188 -0.00235 -0.00294 0.00302 -0.02493 90 3PZ -0.00197 0.00436 0.00229 -0.00620 -0.00021 91 4XX 0.00019 -0.00013 0.00006 -0.00048 0.00263 92 4YY -0.00031 0.00009 0.00025 0.00008 0.00051 93 4ZZ 0.00079 0.00000 0.00011 0.00019 0.00228 94 4XY 0.00000 0.00003 0.00031 0.00058 -0.00243 95 4XZ 0.00011 -0.00031 0.00001 -0.00019 0.00114 96 4YZ -0.00019 0.00058 0.00019 0.00061 -0.00701 97 10 H 1S 0.00228 0.00243 0.00114 0.00701 -0.00991 98 2S 0.00487 0.00041 0.00217 0.00665 -0.00501 99 11 H 1S -0.00015 -0.00109 -0.00041 0.00054 -0.00200 100 2S -0.00073 -0.00139 -0.00109 0.00106 -0.00900 101 12 H 1S -0.00051 -0.00129 -0.00029 0.00132 -0.00755 102 2S -0.00047 -0.00010 0.00036 0.00092 -0.00513 103 13 C 1S -0.00043 0.00017 -0.00013 -0.00020 -0.00055 104 2S 0.00076 -0.00072 0.00013 0.00039 0.00176 105 2PX 0.00081 -0.00117 0.00000 0.00086 0.00018 106 2PY 0.00015 0.00033 0.00030 0.00029 -0.00124 107 2PZ 0.00080 0.00008 -0.00001 0.00017 0.00333 108 3S 0.00260 -0.00093 0.00191 0.00113 0.00836 109 3PX 0.00021 -0.00002 0.00029 0.00053 -0.00247 110 3PY -0.00006 0.00104 0.00101 -0.00020 -0.00016 111 3PZ 0.00076 0.00008 0.00045 0.00033 0.00378 112 4XX -0.00007 0.00035 0.00009 -0.00034 0.00117 113 4YY 0.00001 -0.00013 -0.00005 0.00013 -0.00054 114 4ZZ 0.00003 -0.00023 -0.00006 0.00018 -0.00040 115 4XY -0.00004 0.00004 0.00000 0.00001 -0.00033 116 4XZ 0.00007 -0.00002 0.00002 0.00002 0.00018 117 4YZ -0.00001 0.00005 0.00000 -0.00007 0.00017 118 14 H 1S -0.00001 -0.00092 -0.00021 0.00054 -0.00222 119 2S -0.00021 -0.00096 -0.00034 0.00087 -0.00346 120 15 H 1S -0.00032 0.00129 0.00034 -0.00108 0.00274 121 2S -0.00144 0.00305 0.00062 -0.00220 0.00043 122 16 C 1S -0.00016 0.00019 -0.00002 -0.00076 0.00421 123 2S -0.00009 -0.00037 0.00007 0.00131 -0.00921 124 2PX -0.00063 -0.00065 -0.00012 0.00182 -0.01301 125 2PY -0.00044 0.00021 0.00013 -0.00009 -0.00258 126 2PZ 0.00031 -0.00053 -0.00085 -0.00048 0.00493 127 3S 0.00097 -0.00252 -0.00241 0.00406 -0.02192 128 3PX -0.00054 -0.00016 -0.00067 0.00018 -0.00374 129 3PY 0.00022 0.00030 0.00049 0.00080 -0.00556 130 3PZ 0.00151 -0.00096 0.00008 -0.00020 0.01039 131 4XX -0.00012 -0.00002 -0.00026 -0.00012 -0.00003 132 4YY 0.00008 -0.00005 0.00009 0.00007 0.00008 133 4ZZ 0.00012 0.00006 0.00026 0.00005 0.00030 134 4XY -0.00004 -0.00003 -0.00001 0.00007 -0.00049 135 4XZ -0.00001 -0.00005 -0.00010 0.00011 -0.00093 136 4YZ 0.00002 -0.00003 0.00002 -0.00001 0.00025 137 17 H 1S 0.00013 0.00028 0.00112 0.00061 -0.00266 138 2S 0.00120 0.00041 0.00224 -0.00075 0.01259 139 18 H 1S -0.00012 0.00011 -0.00077 -0.00087 0.00330 140 2S -0.00138 0.00081 -0.00156 -0.00221 0.00436 141 19 O 1S -0.00090 -0.00470 -0.00505 -0.00413 0.01282 142 2S 0.00235 0.01079 0.01161 0.00922 -0.02690 143 2PX -0.01398 -0.00448 -0.02005 -0.01220 0.01029 144 2PY -0.00638 0.01261 -0.01476 0.00926 -0.02050 145 2PZ 0.02477 -0.01651 -0.00339 -0.00084 0.05198 146 3S 0.00267 0.01469 0.00972 0.01448 -0.06288 147 3PX -0.01124 0.00028 -0.01187 -0.00699 -0.00199 148 3PY -0.00436 0.00711 -0.01042 0.00564 -0.01345 149 3PZ 0.01746 -0.01091 -0.00064 0.00083 0.04014 150 4XX 0.00019 0.00022 0.00006 -0.00013 0.00263 151 4YY 0.00032 -0.00094 0.00074 -0.00074 0.00078 152 4ZZ -0.00048 0.00014 -0.00023 -0.00017 0.00410 153 4XY 0.00030 0.00006 0.00079 0.00053 -0.00297 154 4XZ 0.00002 0.00024 0.00065 0.00001 0.00342 155 4YZ -0.00107 0.00033 0.00029 0.00010 -0.00327 156 20 O 1S -0.00027 0.00006 0.00024 0.00031 -0.00279 157 2S 0.00067 0.00010 -0.00049 -0.00054 0.00880 158 2PX -0.00288 0.00582 0.00024 0.00542 -0.02792 159 2PY -0.00049 -0.00300 -0.00140 -0.00363 0.02038 160 2PZ 0.00310 0.00420 0.00091 0.00347 -0.00863 161 3S -0.00035 0.00067 -0.00291 -0.00097 0.01003 162 3PX -0.00278 0.00413 0.00006 0.00252 -0.02086 163 3PY -0.00066 -0.00134 -0.00124 -0.00270 0.01409 164 3PZ 0.00229 0.00166 0.00036 0.00313 -0.00676 165 4XX -0.00004 0.00054 0.00008 -0.00008 -0.00019 166 4YY -0.00002 -0.00036 0.00014 -0.00034 0.00068 167 4ZZ 0.00005 -0.00011 -0.00004 0.00041 -0.00004 168 4XY 0.00016 0.00033 0.00011 0.00019 0.00091 169 4XZ -0.00022 0.00000 -0.00009 0.00008 -0.00087 170 4YZ 0.00031 0.00040 0.00015 0.00004 0.00058 171 21 C 1S -0.00057 0.00137 0.00004 0.00181 -0.00639 172 2S 0.00111 -0.00301 0.00068 -0.00437 0.01742 173 2PX -0.00264 0.00532 -0.00384 0.00547 -0.02347 174 2PY 0.00156 -0.00802 -0.00057 -0.00723 0.02368 175 2PZ -0.00165 0.00252 -0.00166 0.00160 -0.00882 176 3S 0.00098 -0.00263 -0.00112 -0.00502 0.02692 177 3PX -0.00328 0.00344 -0.00084 0.00130 -0.01896 178 3PY -0.00015 -0.00335 -0.00257 -0.00314 0.01605 179 3PZ 0.00177 0.00021 0.00038 0.00124 0.00207 180 4XX 0.00078 -0.00045 0.00076 0.00012 0.00020 181 4YY -0.00013 0.00018 -0.00039 -0.00003 -0.00001 182 4ZZ -0.00067 0.00033 -0.00018 0.00020 -0.00167 183 4XY -0.00053 0.00051 -0.00063 0.00023 -0.00039 184 4XZ -0.00079 0.00003 0.00020 -0.00020 -0.00196 185 4YZ 0.00065 -0.00033 -0.00006 0.00012 0.00185 186 22 H 1S -0.00334 0.00174 -0.00117 -0.00005 -0.00859 187 2S -0.00572 0.00256 -0.00167 0.00088 -0.01971 188 23 H 1S 0.00291 -0.00086 0.00022 0.00136 0.00315 189 2S 0.00705 -0.00259 0.00116 0.00382 0.00885 81 82 83 84 85 81 2S 0.14252 82 9 C 1S 0.02111 2.05261 83 2S -0.04292 -0.06334 0.33256 84 2PX 0.02474 0.01176 -0.01998 0.35371 85 2PY -0.07153 -0.00634 0.01501 0.03631 0.42805 86 2PZ 0.00607 0.01404 -0.02170 -0.01906 0.02885 87 3S -0.06765 -0.17198 0.27273 -0.08760 -0.01081 88 3PX 0.00799 0.02120 -0.04292 0.18176 0.03494 89 3PY -0.02647 -0.00657 0.00325 0.04956 0.11867 90 3PZ -0.00149 0.00674 -0.02185 -0.07208 -0.00936 91 4XX 0.00349 -0.01239 -0.01159 0.01053 -0.00768 92 4YY -0.00296 -0.01714 -0.00125 -0.00616 0.01253 93 4ZZ 0.00487 -0.01510 -0.00556 -0.00141 -0.01278 94 4XY -0.00041 -0.00069 0.00120 -0.00172 0.00375 95 4XZ 0.00217 -0.00382 0.00899 0.00965 -0.01029 96 4YZ -0.00665 -0.00389 0.00798 -0.01323 -0.00743 97 10 H 1S -0.00501 -0.06712 0.13219 -0.07497 -0.16957 98 2S -0.00014 -0.01673 0.03913 -0.03835 -0.14224 99 11 H 1S -0.00474 0.00351 -0.00613 0.01582 0.01298 100 2S -0.01453 0.00300 -0.00426 0.02177 0.01747 101 12 H 1S -0.00284 -0.00158 0.00237 0.00430 0.00874 102 2S 0.00157 -0.00290 0.00462 -0.00196 0.01591 103 13 C 1S -0.00210 -0.00252 0.00480 -0.00742 -0.00329 104 2S 0.00548 0.00388 -0.00790 0.02077 0.00691 105 2PX 0.00031 0.00833 -0.01838 0.02875 0.01257 106 2PY -0.00297 -0.00134 0.00288 -0.00193 -0.00484 107 2PZ 0.01127 -0.00374 0.00643 -0.00451 -0.00858 108 3S 0.02174 0.01272 -0.02731 0.02701 0.02355 109 3PX -0.00375 0.00698 -0.01248 0.00066 0.00632 110 3PY -0.00075 -0.00303 0.00508 -0.01966 -0.00941 111 3PZ 0.00922 -0.00322 0.00394 -0.00521 -0.00968 112 4XX 0.00199 -0.00136 0.00219 -0.00744 -0.00215 113 4YY -0.00065 0.00003 -0.00022 0.00284 0.00071 114 4ZZ -0.00129 0.00050 -0.00107 0.00457 0.00135 115 4XY 0.00003 -0.00038 0.00071 -0.00066 -0.00040 116 4XZ 0.00048 0.00042 -0.00107 0.00081 0.00036 117 4YZ -0.00043 0.00008 -0.00035 -0.00036 -0.00022 118 14 H 1S -0.00825 0.00527 -0.00989 0.02033 0.00878 119 2S -0.01426 0.00154 -0.00350 0.01467 0.00001 120 15 H 1S 0.00830 -0.00569 0.01142 -0.02669 -0.00982 121 2S 0.00474 -0.00774 0.01691 -0.06151 -0.01884 122 16 C 1S 0.00015 -0.00111 0.00181 -0.00869 -0.00054 123 2S -0.00447 0.00217 -0.00414 0.01777 0.00136 124 2PX 0.00105 0.00250 -0.00432 0.02088 -0.00079 125 2PY 0.00321 -0.00146 0.00201 -0.00592 0.00077 126 2PZ -0.01332 0.00247 -0.00326 0.01049 -0.00034 127 3S -0.01601 0.00506 -0.00646 0.06640 0.01066 128 3PX 0.00226 0.00016 0.00019 0.00533 -0.00062 129 3PY 0.00098 -0.00059 -0.00054 0.00025 0.00521 130 3PZ 0.00217 0.00228 -0.00320 0.01256 -0.00323 131 4XX -0.00259 -0.00016 0.00025 -0.00239 -0.00105 132 4YY 0.00051 0.00001 -0.00008 0.00133 0.00075 133 4ZZ 0.00254 -0.00016 0.00035 0.00044 0.00031 134 4XY 0.00004 0.00002 0.00012 0.00015 -0.00039 135 4XZ -0.00077 0.00023 -0.00039 0.00156 -0.00014 136 4YZ -0.00041 0.00005 -0.00009 0.00041 0.00071 137 17 H 1S 0.01601 -0.00089 0.00093 0.00030 -0.00055 138 2S 0.03128 -0.00225 0.00354 -0.01051 -0.00519 139 18 H 1S -0.00996 -0.00017 -0.00010 -0.00825 -0.00090 140 2S -0.01571 -0.00101 0.00165 -0.02950 -0.00628 141 19 O 1S 0.01379 -0.00167 0.00506 0.00606 0.00187 142 2S -0.02820 0.00707 -0.01595 -0.01455 -0.01745 143 2PX 0.00389 -0.00948 0.02371 -0.05406 0.04110 144 2PY -0.02782 -0.02371 0.05641 0.02195 0.05732 145 2PZ 0.09370 0.00044 -0.00377 0.05069 0.04293 146 3S -0.05496 -0.00449 -0.00280 -0.04408 0.02610 147 3PX -0.01334 -0.00713 0.01771 -0.04782 0.02586 148 3PY -0.01586 -0.01439 0.03755 0.02403 0.04144 149 3PZ 0.06765 0.00260 -0.00728 0.05535 0.03221 150 4XX 0.00065 0.00035 -0.00011 -0.00296 -0.00359 151 4YY 0.00208 0.00145 -0.00240 -0.00041 -0.00269 152 4ZZ 0.00237 0.00100 -0.00105 0.00402 -0.00273 153 4XY -0.00282 -0.00095 0.00216 0.00302 0.00611 154 4XZ 0.00108 -0.00014 0.00039 0.00122 0.00119 155 4YZ -0.00477 -0.00075 0.00153 0.00079 0.00423 156 20 O 1S -0.00197 0.00575 -0.00817 -0.02660 0.00953 157 2S 0.00720 -0.01014 0.01261 0.06257 -0.03255 158 2PX -0.05716 0.05526 -0.11975 -0.16221 0.10594 159 2PY 0.04583 -0.02650 0.05514 0.08200 -0.03446 160 2PZ 0.00700 0.03853 -0.07484 -0.18835 0.07733 161 3S -0.00120 0.00859 -0.01458 0.03694 0.02899 162 3PX -0.04128 0.02443 -0.05739 -0.09467 0.05562 163 3PY 0.02974 -0.02158 0.04411 0.05066 -0.03049 164 3PZ 0.00661 0.01944 -0.03656 -0.09279 0.04358 165 4XX 0.00011 -0.00264 0.00397 -0.00732 -0.00643 166 4YY 0.00223 -0.00114 0.00121 0.00361 -0.00068 167 4ZZ -0.00076 -0.00133 0.00154 0.00646 -0.00547 168 4XY -0.00028 0.00424 -0.00849 -0.00830 -0.00376 169 4XZ -0.00097 -0.00528 0.00877 0.00426 -0.00366 170 4YZ 0.00074 0.00346 -0.00613 -0.01220 -0.00314 171 21 C 1S -0.00664 -0.00314 0.00638 0.01152 0.00990 172 2S 0.01862 0.00673 -0.01754 -0.03150 -0.03286 173 2PX -0.03204 -0.01268 0.03068 0.02354 0.02100 174 2PY 0.02340 -0.00315 0.00785 0.03052 -0.02359 175 2PZ -0.02334 -0.00739 0.01915 0.02701 0.00822 176 3S 0.02466 0.01015 -0.01295 -0.04935 -0.04941 177 3PX -0.02622 -0.01056 0.01965 -0.00272 0.01598 178 3PY 0.01285 -0.00295 0.00740 0.03169 -0.00310 179 3PZ 0.00066 -0.00561 0.00943 0.01389 0.00428 180 4XX 0.00292 -0.00080 0.00210 0.00733 -0.00190 181 4YY -0.00055 0.00216 -0.00472 -0.00926 0.00494 182 4ZZ -0.00352 -0.00173 0.00371 0.00745 -0.00112 183 4XY -0.00063 -0.00068 0.00166 0.00086 0.00201 184 4XZ -0.00320 -0.00080 0.00197 0.00588 0.00055 185 4YZ 0.00224 -0.00033 0.00055 0.00624 0.00076 186 22 H 1S -0.02133 -0.00640 0.01540 0.02376 -0.00702 187 2S -0.03375 -0.00610 0.01493 0.04140 0.00541 188 23 H 1S 0.01186 -0.00128 0.00252 0.00528 -0.00494 189 2S 0.02651 0.00094 -0.00186 0.03559 0.00678 86 87 88 89 90 86 2PZ 0.37250 87 3S -0.02658 0.29973 88 3PX -0.08694 -0.06708 0.12473 89 3PY -0.01996 0.00400 0.03310 0.05430 90 3PZ 0.15203 0.00052 -0.06146 -0.02262 0.08174 91 4XX 0.01099 -0.00903 0.00247 -0.00219 0.00351 92 4YY -0.00529 -0.00021 0.00008 0.00157 -0.00049 93 4ZZ -0.00455 -0.00500 -0.00044 -0.00161 -0.00234 94 4XY -0.01206 0.00208 0.00129 0.00261 -0.00470 95 4XZ 0.00675 0.00357 0.00042 -0.00122 -0.00012 96 4YZ -0.00864 0.01236 -0.00582 -0.00152 -0.00033 97 10 H 1S -0.18397 0.13427 -0.02269 -0.03640 -0.06121 98 2S -0.16121 0.04263 0.00484 -0.02193 -0.05495 99 11 H 1S -0.00548 -0.02333 0.01586 -0.00394 -0.00445 100 2S -0.01240 -0.02506 0.01980 -0.00221 -0.00895 101 12 H 1S -0.00434 0.01882 0.00227 0.00882 -0.00334 102 2S 0.00488 0.02528 -0.00329 0.00984 0.00171 103 13 C 1S 0.00118 0.00752 -0.00620 -0.00413 0.00045 104 2S -0.00214 -0.01862 0.00786 0.00703 -0.00999 105 2PX -0.00753 -0.03651 0.01115 0.02235 -0.01893 106 2PY -0.00437 0.00836 0.00189 -0.00382 -0.00287 107 2PZ -0.00897 0.02679 -0.00121 -0.01032 -0.00721 108 3S -0.01480 -0.03284 0.01695 0.01115 -0.01682 109 3PX -0.00749 -0.01725 -0.00040 0.00820 -0.00773 110 3PY 0.00327 0.01615 -0.01069 -0.00503 0.00600 111 3PZ -0.01192 0.01052 -0.00266 -0.00539 -0.00719 112 4XX 0.00482 0.00463 -0.00474 -0.00286 0.00364 113 4YY -0.00169 -0.00125 0.00209 0.00033 -0.00131 114 4ZZ -0.00251 -0.00270 0.00276 0.00257 -0.00178 115 4XY 0.00003 0.00136 -0.00007 -0.00068 0.00051 116 4XZ 0.00008 -0.00062 0.00061 0.00055 -0.00031 117 4YZ 0.00084 -0.00098 -0.00028 0.00030 0.00062 118 14 H 1S -0.00529 -0.03048 0.00988 0.01592 -0.00562 119 2S -0.01675 -0.02129 0.00873 0.01603 -0.00795 120 15 H 1S 0.01420 0.02483 -0.01504 -0.01742 0.01523 121 2S 0.03321 0.03965 -0.03712 -0.02693 0.03099 122 16 C 1S 0.00636 0.00591 -0.00658 -0.00087 0.00574 123 2S -0.01399 -0.00784 0.01730 0.00302 -0.00704 124 2PX -0.01474 -0.01472 0.01932 -0.00355 -0.00955 125 2PY 0.00442 0.00701 -0.00217 0.00163 0.00872 126 2PZ -0.01052 -0.01729 0.01183 0.00358 -0.00538 127 3S -0.04807 -0.02351 0.04974 0.01821 -0.03325 128 3PX 0.00111 -0.00234 0.00344 -0.00167 -0.00066 129 3PY -0.00526 0.00615 0.00337 0.00512 0.00081 130 3PZ -0.01129 -0.01200 0.01093 0.00281 -0.00581 131 4XX 0.00074 0.00063 -0.00100 0.00021 0.00097 132 4YY -0.00048 -0.00002 0.00067 0.00047 -0.00066 133 4ZZ -0.00004 -0.00020 -0.00017 -0.00081 -0.00019 134 4XY -0.00053 0.00068 0.00054 -0.00060 0.00011 135 4XZ -0.00103 -0.00133 0.00122 0.00003 -0.00086 136 4YZ -0.00021 -0.00091 0.00033 0.00057 -0.00004 137 17 H 1S 0.00171 0.00694 -0.00100 -0.00437 0.00150 138 2S 0.00986 0.00816 -0.01119 -0.01101 0.00609 139 18 H 1S 0.00462 0.00309 -0.00534 0.00560 0.00481 140 2S 0.02402 0.00911 -0.02229 0.00152 0.01616 141 19 O 1S 0.00720 -0.02204 -0.00010 -0.00839 -0.00190 142 2S -0.01528 0.04462 0.00142 0.01356 0.00722 143 2PX 0.03138 0.03899 -0.06130 0.00425 0.00347 144 2PY 0.01759 0.12848 -0.02257 0.07207 -0.02405 145 2PZ -0.05475 -0.01854 0.06051 0.04181 -0.03842 146 3S -0.04176 0.08733 -0.00886 0.03795 -0.00347 147 3PX 0.03641 0.03135 -0.05161 -0.00043 0.01115 148 3PY 0.00843 0.08186 -0.00997 0.05020 -0.01958 149 3PZ -0.04924 -0.02233 0.05505 0.03131 -0.03403 150 4XX 0.00422 0.00069 -0.00177 -0.00133 0.00260 151 4YY 0.00110 -0.00732 0.00045 -0.00374 0.00171 152 4ZZ -0.00165 -0.00196 0.00144 -0.00125 -0.00161 153 4XY -0.00029 -0.00006 0.00314 0.00169 -0.00009 154 4XZ 0.00038 0.00026 0.00113 -0.00043 0.00069 155 4YZ -0.00014 -0.00025 0.00006 -0.00031 0.00022 156 20 O 1S -0.02436 0.03492 0.00475 0.01020 0.00952 157 2S 0.05494 -0.08913 -0.01373 -0.02120 -0.02437 158 2PX -0.18093 -0.03540 -0.03146 0.01152 -0.03241 159 2PY 0.07953 0.06759 -0.02143 0.04807 0.00629 160 2PZ -0.08634 -0.08963 -0.07251 0.03327 -0.03092 161 3S 0.05864 -0.13468 -0.02484 -0.01206 -0.02986 162 3PX -0.08461 -0.00258 -0.02166 -0.00067 -0.00691 163 3PY 0.06483 0.05256 -0.01952 0.02862 0.00930 164 3PZ -0.06402 -0.05651 -0.03125 0.02423 -0.02963 165 4XX 0.00497 0.00520 -0.00493 -0.00303 0.00340 166 4YY 0.00434 0.00233 -0.00108 0.00265 0.00113 167 4ZZ -0.00851 0.00369 0.00568 -0.00102 -0.00309 168 4XY -0.00942 -0.00425 -0.00179 -0.00214 -0.00152 169 4XZ 0.00103 0.00578 0.00025 -0.00086 -0.00111 170 4YZ -0.00307 -0.00522 -0.00470 -0.00169 0.00029 171 21 C 1S 0.00088 0.00659 0.00869 0.00707 -0.00110 172 2S 0.00092 -0.00918 -0.01919 -0.01699 0.00906 173 2PX 0.02323 0.04600 0.02153 0.00387 0.00787 174 2PY 0.03727 -0.01696 0.02818 -0.02953 0.02186 175 2PZ -0.00102 0.03497 0.02188 -0.00445 -0.00484 176 3S -0.00081 0.00519 -0.02303 -0.02301 0.01582 177 3PX 0.03444 0.02794 -0.00700 -0.00175 0.01561 178 3PY 0.02777 -0.00490 0.01051 0.00031 0.00461 179 3PZ -0.00634 0.00687 0.01224 0.00257 -0.00742 180 4XX 0.00471 -0.00284 0.00316 0.00097 0.00061 181 4YY -0.00647 -0.00306 -0.00456 0.00140 -0.00241 182 4ZZ 0.00216 0.00512 0.00388 -0.00126 0.00065 183 4XY 0.00227 0.00068 -0.00386 0.00347 -0.00208 184 4XZ 0.00268 0.00163 0.00126 -0.00086 0.00070 185 4YZ -0.00037 0.00114 0.00306 0.00150 -0.00113 186 22 H 1S 0.01455 0.03113 0.01289 -0.01181 0.00640 187 2S 0.01429 0.02964 0.01983 -0.00734 0.00350 188 23 H 1S 0.00591 -0.00400 0.00739 0.00321 0.00178 189 2S -0.02527 -0.02480 0.03243 0.01792 -0.02142 91 92 93 94 95 91 4XX 0.00257 92 4YY -0.00066 0.00122 93 4ZZ -0.00051 -0.00036 0.00177 94 4XY -0.00076 0.00008 0.00055 0.00157 95 4XZ 0.00029 -0.00086 0.00049 -0.00038 0.00159 96 4YZ -0.00050 0.00004 0.00000 0.00056 -0.00008 97 10 H 1S -0.00934 -0.00167 0.00676 0.00634 0.00355 98 2S -0.00724 -0.00147 0.00844 0.00604 0.00266 99 11 H 1S 0.00013 0.00115 -0.00051 0.00130 -0.00029 100 2S -0.00085 0.00170 -0.00047 0.00010 0.00036 101 12 H 1S -0.00027 0.00011 -0.00015 0.00109 -0.00042 102 2S 0.00020 0.00003 -0.00073 0.00139 -0.00109 103 13 C 1S -0.00102 0.00005 -0.00016 -0.00019 -0.00002 104 2S 0.00157 -0.00062 -0.00009 0.00037 0.00007 105 2PX 0.00369 -0.00094 -0.00063 0.00065 -0.00012 106 2PY -0.00007 0.00025 0.00044 0.00021 -0.00013 107 2PZ -0.00053 -0.00026 0.00031 0.00053 -0.00085 108 3S 0.00053 0.00010 0.00097 0.00252 -0.00241 109 3PX 0.00120 0.00021 -0.00054 0.00016 -0.00067 110 3PY 0.00009 0.00016 -0.00021 0.00030 -0.00049 111 3PZ -0.00164 -0.00010 0.00151 0.00096 0.00008 112 4XX 0.00008 -0.00005 -0.00012 0.00002 -0.00026 113 4YY -0.00006 0.00005 0.00008 0.00005 0.00009 114 4ZZ -0.00011 0.00000 0.00012 -0.00006 0.00026 115 4XY -0.00012 0.00001 0.00004 -0.00003 0.00001 116 4XZ 0.00013 -0.00004 -0.00001 0.00005 -0.00010 117 4YZ 0.00010 -0.00003 -0.00002 -0.00003 -0.00002 118 14 H 1S 0.00064 -0.00016 0.00013 -0.00028 0.00112 119 2S -0.00125 0.00008 0.00120 -0.00041 0.00224 120 15 H 1S -0.00108 0.00009 -0.00012 -0.00011 -0.00077 121 2S -0.00018 0.00024 -0.00138 -0.00081 -0.00156 122 16 C 1S -0.00012 0.00005 -0.00043 -0.00017 -0.00013 123 2S 0.00019 0.00008 0.00076 0.00072 0.00013 124 2PX 0.00068 -0.00046 0.00081 0.00117 0.00000 125 2PY -0.00028 -0.00026 -0.00015 0.00033 -0.00030 126 2PZ -0.00014 0.00027 0.00080 -0.00008 -0.00001 127 3S -0.00132 -0.00051 0.00260 0.00093 0.00191 128 3PX 0.00064 -0.00060 0.00021 0.00002 0.00029 129 3PY -0.00024 -0.00012 0.00006 0.00104 -0.00101 130 3PZ -0.00021 -0.00002 0.00076 -0.00008 0.00045 131 4XX -0.00006 0.00007 -0.00007 -0.00035 0.00009 132 4YY 0.00003 -0.00001 0.00001 0.00013 -0.00005 133 4ZZ -0.00002 -0.00003 0.00003 0.00023 -0.00006 134 4XY -0.00007 0.00001 0.00004 0.00004 0.00000 135 4XZ 0.00001 -0.00003 0.00007 0.00002 0.00002 136 4YZ -0.00002 0.00003 0.00001 0.00005 0.00000 137 17 H 1S 0.00022 -0.00037 -0.00001 0.00092 -0.00021 138 2S 0.00037 -0.00044 -0.00021 0.00096 -0.00034 139 18 H 1S -0.00021 0.00033 -0.00032 -0.00128 0.00034 140 2S 0.00068 0.00028 -0.00144 -0.00305 0.00062 141 19 O 1S 0.00001 -0.00112 -0.00027 -0.00006 0.00024 142 2S 0.00037 0.00166 0.00067 -0.00010 -0.00049 143 2PX 0.00316 -0.00309 -0.00288 -0.00582 0.00024 144 2PY 0.00010 -0.00537 0.00049 -0.00300 0.00140 145 2PZ -0.00257 -0.00238 0.00310 -0.00420 0.00091 146 3S -0.00165 0.00285 -0.00035 -0.00067 -0.00291 147 3PX 0.00260 -0.00146 -0.00278 -0.00413 0.00006 148 3PY 0.00019 -0.00403 0.00066 -0.00134 0.00124 149 3PZ -0.00153 -0.00135 0.00229 -0.00166 0.00036 150 4XX -0.00003 0.00007 -0.00004 -0.00054 0.00008 151 4YY 0.00023 0.00005 -0.00002 0.00036 0.00014 152 4ZZ 0.00020 -0.00008 0.00005 0.00011 -0.00004 153 4XY -0.00042 0.00039 -0.00016 0.00033 -0.00011 154 4XZ -0.00002 0.00029 -0.00022 0.00000 -0.00009 155 4YZ -0.00011 0.00036 -0.00031 0.00040 -0.00015 156 20 O 1S -0.00322 0.00182 -0.00090 0.00470 -0.00505 157 2S 0.00839 -0.00409 0.00235 -0.01079 0.01161 158 2PX 0.00944 0.00918 -0.01398 0.00448 -0.02005 159 2PY 0.01046 -0.01653 0.00638 0.01261 0.01476 160 2PZ -0.02940 0.00565 0.02477 0.01651 -0.00339 161 3S 0.00468 -0.00024 0.00267 -0.01469 0.00972 162 3PX 0.00783 0.00558 -0.01124 -0.00028 -0.01187 163 3PY 0.00632 -0.01096 0.00436 0.00711 0.01042 164 3PZ -0.02040 0.00316 0.01746 0.01091 -0.00064 165 4XX -0.00032 -0.00004 0.00019 -0.00022 0.00006 166 4YY 0.00061 -0.00085 0.00032 0.00094 0.00074 167 4ZZ 0.00039 0.00003 -0.00048 -0.00014 -0.00023 168 4XY 0.00057 0.00024 -0.00030 0.00006 -0.00079 169 4XZ -0.00006 -0.00022 0.00002 -0.00024 0.00065 170 4YZ -0.00114 0.00030 0.00107 0.00033 -0.00029 171 21 C 1S -0.00090 0.00096 -0.00057 -0.00137 0.00004 172 2S 0.00265 -0.00239 0.00111 0.00301 0.00068 173 2PX -0.00613 0.00374 -0.00264 -0.00532 -0.00384 174 2PY -0.00294 0.00283 -0.00156 -0.00802 0.00057 175 2PZ -0.00296 0.00195 -0.00165 -0.00252 -0.00166 176 3S 0.00059 -0.00173 0.00098 0.00263 -0.00112 177 3PX -0.00036 0.00157 -0.00328 -0.00344 -0.00084 178 3PY 0.00021 -0.00093 0.00015 -0.00335 0.00257 179 3PZ -0.00345 0.00071 0.00177 -0.00021 0.00038 180 4XX -0.00048 -0.00031 0.00078 0.00045 0.00076 181 4YY 0.00034 0.00017 -0.00013 -0.00018 -0.00039 182 4ZZ 0.00021 0.00013 -0.00067 -0.00033 -0.00018 183 4XY 0.00027 -0.00068 0.00053 0.00051 0.00063 184 4XZ 0.00104 -0.00015 -0.00079 -0.00003 0.00020 185 4YZ 0.00104 -0.00032 -0.00065 -0.00033 0.00006 186 22 H 1S 0.00094 0.00056 -0.00334 -0.00174 -0.00117 187 2S 0.00366 0.00073 -0.00572 -0.00256 -0.00167 188 23 H 1S -0.00398 -0.00002 0.00291 0.00086 0.00022 189 2S -0.00782 0.00013 0.00705 0.00259 0.00116 96 97 98 99 100 96 4YZ 0.00181 97 10 H 1S 0.01345 0.21512 98 2S 0.01024 0.15897 0.14252 99 11 H 1S -0.00132 -0.00755 -0.00284 0.21689 100 2S -0.00092 -0.00513 0.00157 0.17480 0.16312 101 12 H 1S -0.00054 -0.00200 -0.00474 0.00167 -0.00097 102 2S -0.00106 -0.00900 -0.01453 -0.00097 -0.00327 103 13 C 1S 0.00076 0.00421 0.00015 0.01192 0.01495 104 2S -0.00131 -0.00921 -0.00447 -0.02350 -0.02651 105 2PX -0.00182 -0.01301 0.00105 -0.02591 -0.05281 106 2PY -0.00009 0.00258 -0.00321 0.03151 0.05872 107 2PZ 0.00048 0.00493 -0.01333 -0.02255 -0.04426 108 3S -0.00406 -0.02191 -0.01600 -0.07034 -0.07134 109 3PX -0.00018 -0.00374 0.00226 -0.02243 -0.03189 110 3PY 0.00080 0.00556 -0.00098 0.00897 0.01736 111 3PZ 0.00020 0.01038 0.00217 -0.01991 -0.02752 112 4XX 0.00012 -0.00003 -0.00259 -0.00107 -0.00228 113 4YY -0.00007 0.00008 0.00051 0.00654 0.00714 114 4ZZ -0.00005 0.00030 0.00254 -0.00226 -0.00258 115 4XY 0.00007 0.00049 -0.00004 -0.00353 -0.00143 116 4XZ -0.00011 -0.00093 -0.00077 -0.00070 -0.00284 117 4YZ -0.00001 -0.00025 0.00041 -0.00328 -0.00149 118 14 H 1S -0.00061 -0.00266 0.01601 -0.01313 -0.00818 119 2S 0.00075 0.01259 0.03128 -0.01112 -0.00323 120 15 H 1S 0.00087 0.00330 -0.00996 -0.00866 -0.00363 121 2S 0.00221 0.00435 -0.01571 -0.00561 -0.00187 122 16 C 1S 0.00020 -0.00055 -0.00210 -0.00735 -0.00920 123 2S -0.00039 0.00176 0.00548 0.01455 0.01851 124 2PX -0.00086 0.00018 0.00031 0.00327 0.01493 125 2PY 0.00029 0.00125 0.00297 -0.03619 -0.05934 126 2PZ -0.00017 0.00333 0.01127 0.00280 0.01380 127 3S -0.00113 0.00835 0.02173 0.04866 0.05329 128 3PX -0.00053 -0.00247 -0.00375 -0.00062 0.00390 129 3PY -0.00020 0.00017 0.00075 -0.03681 -0.04916 130 3PZ -0.00033 0.00378 0.00921 0.00266 0.00733 131 4XX 0.00034 0.00117 0.00199 -0.00016 0.00001 132 4YY -0.00013 -0.00054 -0.00065 -0.00012 0.00026 133 4ZZ -0.00018 -0.00040 -0.00129 -0.00079 -0.00199 134 4XY 0.00001 0.00033 -0.00003 0.00162 0.00254 135 4XZ -0.00001 0.00018 0.00048 0.00031 0.00110 136 4YZ -0.00007 -0.00017 0.00043 0.00123 0.00178 137 17 H 1S -0.00054 -0.00222 -0.00825 -0.00710 -0.01833 138 2S -0.00087 -0.00346 -0.01426 -0.01348 -0.02633 139 18 H 1S 0.00108 0.00274 0.00830 -0.00554 -0.01301 140 2S 0.00220 0.00043 0.00474 -0.01239 -0.01781 141 19 O 1S -0.00031 -0.00279 -0.00197 0.00034 0.00124 142 2S 0.00054 0.00880 0.00720 -0.00088 -0.00302 143 2PX -0.00542 -0.02792 -0.05717 0.00065 0.00816 144 2PY -0.00364 -0.02038 -0.04583 0.00349 0.00103 145 2PZ -0.00347 -0.00863 0.00701 0.00569 -0.00002 146 3S 0.00097 0.01004 -0.00119 -0.00296 -0.00581 147 3PX -0.00252 -0.02086 -0.04128 0.00011 0.00565 148 3PY -0.00270 -0.01409 -0.02974 0.00390 0.00233 149 3PZ -0.00313 -0.00676 0.00661 0.00487 -0.00050 150 4XX 0.00008 -0.00019 0.00011 -0.00010 0.00025 151 4YY 0.00034 0.00068 0.00223 0.00003 -0.00002 152 4ZZ -0.00041 -0.00004 -0.00076 0.00005 -0.00007 153 4XY 0.00019 -0.00091 0.00028 0.00015 0.00003 154 4XZ -0.00008 -0.00087 -0.00097 0.00001 -0.00015 155 4YZ 0.00004 -0.00058 -0.00074 0.00004 0.00035 156 20 O 1S 0.00413 0.01282 0.01379 0.00125 -0.00309 157 2S -0.00922 -0.02690 -0.02820 -0.00261 0.00678 158 2PX 0.01220 0.01029 0.00389 0.00526 0.00002 159 2PY 0.00926 0.02050 0.02782 0.00239 -0.01305 160 2PZ 0.00084 0.05198 0.09370 -0.00185 0.00161 161 3S -0.01448 -0.06288 -0.05496 -0.00517 0.01142 162 3PX 0.00699 -0.00199 -0.01334 0.00311 -0.00016 163 3PY 0.00564 0.01344 0.01586 0.00103 -0.00824 164 3PZ -0.00083 0.04014 0.06765 0.00062 0.00428 165 4XX 0.00013 0.00263 0.00065 -0.00048 -0.00078 166 4YY 0.00074 0.00078 0.00208 0.00063 -0.00041 167 4ZZ 0.00017 0.00410 0.00237 0.00014 0.00015 168 4XY 0.00053 0.00297 0.00282 0.00034 0.00006 169 4XZ -0.00001 0.00342 0.00108 -0.00032 0.00008 170 4YZ 0.00010 0.00327 0.00477 -0.00055 -0.00024 171 21 C 1S -0.00181 -0.00639 -0.00664 0.00010 0.00086 172 2S 0.00437 0.01742 0.01862 -0.00066 -0.00313 173 2PX -0.00547 -0.02347 -0.03204 -0.00114 0.00343 174 2PY -0.00723 -0.02368 -0.02340 -0.00164 0.00631 175 2PZ -0.00160 -0.00882 -0.02334 0.00106 0.00331 176 3S 0.00502 0.02692 0.02467 -0.00023 -0.00303 177 3PX -0.00130 -0.01896 -0.02622 -0.00044 0.00209 178 3PY -0.00314 -0.01605 -0.01285 0.00108 0.00436 179 3PZ -0.00124 0.00207 0.00066 -0.00048 0.00069 180 4XX -0.00012 0.00020 0.00292 -0.00008 -0.00033 181 4YY 0.00003 -0.00001 -0.00055 0.00007 0.00029 182 4ZZ -0.00020 -0.00167 -0.00352 0.00010 0.00030 183 4XY 0.00023 0.00039 0.00063 0.00008 -0.00018 184 4XZ 0.00020 -0.00196 -0.00320 0.00028 0.00021 185 4YZ 0.00012 -0.00185 -0.00224 0.00034 -0.00030 186 22 H 1S 0.00005 -0.00859 -0.02133 0.00047 0.00154 187 2S -0.00088 -0.01971 -0.03376 0.00051 0.00165 188 23 H 1S -0.00136 0.00315 0.01186 -0.00109 -0.00100 189 2S -0.00382 0.00885 0.02651 -0.00069 -0.00061 101 102 103 104 105 101 12 H 1S 0.21689 102 2S 0.17480 0.16312 103 13 C 1S -0.00735 -0.00920 2.05093 104 2S 0.01455 0.01851 -0.05356 0.30675 105 2PX 0.00327 0.01493 0.00216 -0.00247 0.39946 106 2PY 0.03619 0.05934 0.00197 -0.00049 0.00273 107 2PZ 0.00279 0.01379 0.00106 -0.00015 -0.00826 108 3S 0.04866 0.05329 -0.18822 0.28344 0.02740 109 3PX -0.00061 0.00390 -0.00084 -0.00408 0.18488 110 3PY 0.03681 0.04916 -0.00045 -0.00297 0.00883 111 3PZ 0.00266 0.00733 0.00065 -0.00479 0.00273 112 4XX -0.00016 0.00001 -0.01716 -0.00165 -0.01424 113 4YY -0.00012 0.00025 -0.01550 -0.00526 0.00118 114 4ZZ -0.00079 -0.00199 -0.01720 -0.00155 0.00941 115 4XY -0.00162 -0.00254 -0.00095 0.00184 -0.01373 116 4XZ 0.00031 0.00110 0.00087 -0.00221 0.01148 117 4YZ -0.00123 -0.00178 -0.00108 0.00202 0.00121 118 14 H 1S -0.00710 -0.01833 -0.05232 0.10153 0.05695 119 2S -0.01349 -0.02634 -0.00563 0.02059 0.05725 120 15 H 1S -0.00553 -0.01301 -0.05287 0.10266 -0.24468 121 2S -0.01238 -0.01781 -0.00681 0.02188 -0.21796 122 16 C 1S 0.01192 0.01495 0.01005 -0.01959 -0.00333 123 2S -0.02350 -0.02651 -0.01959 0.03093 0.00747 124 2PX -0.02590 -0.05280 -0.00333 0.00747 0.00232 125 2PY -0.03151 -0.05872 0.06220 -0.12851 -0.00260 126 2PZ -0.02255 -0.04427 -0.00195 0.00418 0.00518 127 3S -0.07034 -0.07135 0.00743 0.01044 0.00699 128 3PX -0.02243 -0.03188 -0.00123 0.00546 -0.00955 129 3PY -0.00898 -0.01736 0.01339 -0.04076 0.01499 130 3PZ -0.01991 -0.02752 -0.00141 0.00469 -0.00256 131 4XX -0.00107 -0.00228 0.00213 -0.00499 0.00014 132 4YY 0.00654 0.00714 -0.00691 0.01194 -0.00050 133 4ZZ -0.00226 -0.00258 0.00191 -0.00471 -0.00084 134 4XY 0.00353 0.00143 -0.00027 0.00034 -0.01106 135 4XZ -0.00070 -0.00284 -0.00003 0.00021 -0.00040 136 4YZ 0.00328 0.00149 -0.00016 0.00014 0.00058 137 17 H 1S -0.01313 -0.00817 0.00750 -0.01927 -0.00768 138 2S -0.01111 -0.00323 0.00827 -0.01896 -0.02007 139 18 H 1S -0.00866 -0.00364 0.00849 -0.02092 0.02233 140 2S -0.00561 -0.00187 0.01082 -0.02314 0.03249 141 19 O 1S 0.00125 -0.00309 0.00015 0.00042 0.00037 142 2S -0.00261 0.00678 -0.00020 -0.00070 -0.00066 143 2PX 0.00526 0.00002 0.00393 -0.00729 -0.00858 144 2PY -0.00239 0.01304 0.00083 0.00074 -0.00008 145 2PZ -0.00185 0.00161 -0.00361 0.00759 0.00808 146 3S -0.00517 0.01142 -0.00062 -0.00499 -0.00697 147 3PX 0.00311 -0.00016 0.00366 -0.00588 -0.00780 148 3PY -0.00103 0.00824 0.00033 0.00159 0.00074 149 3PZ 0.00062 0.00427 -0.00369 0.00831 0.00906 150 4XX -0.00048 -0.00078 0.00027 -0.00037 -0.00026 151 4YY 0.00063 -0.00041 0.00008 0.00010 0.00004 152 4ZZ 0.00014 0.00015 -0.00004 0.00041 0.00041 153 4XY -0.00034 -0.00006 -0.00015 0.00024 0.00029 154 4XZ -0.00031 0.00008 -0.00001 -0.00003 0.00002 155 4YZ 0.00055 0.00024 0.00000 -0.00006 0.00011 156 20 O 1S 0.00034 0.00124 0.00044 -0.00157 -0.00371 157 2S -0.00088 -0.00302 -0.00137 0.00300 0.00679 158 2PX 0.00065 0.00815 0.00296 -0.01008 -0.01532 159 2PY -0.00349 -0.00103 0.00165 0.00188 -0.00018 160 2PZ 0.00569 -0.00002 0.00003 -0.00152 0.00341 161 3S -0.00296 -0.00582 -0.00055 0.01055 0.02855 162 3PX 0.00011 0.00565 0.00206 -0.00959 -0.01531 163 3PY -0.00390 -0.00233 0.00172 0.00105 0.00127 164 3PZ 0.00487 -0.00050 -0.00059 -0.00081 0.00060 165 4XX -0.00010 0.00025 0.00012 -0.00090 -0.00191 166 4YY 0.00003 -0.00002 -0.00010 -0.00042 -0.00058 167 4ZZ 0.00005 -0.00007 -0.00034 -0.00011 -0.00008 168 4XY -0.00015 -0.00003 0.00009 -0.00065 -0.00087 169 4XZ 0.00001 -0.00015 0.00013 0.00010 0.00037 170 4YZ -0.00004 -0.00035 0.00005 -0.00045 -0.00045 171 21 C 1S 0.00010 0.00086 -0.00054 0.00085 0.00145 172 2S -0.00066 -0.00313 0.00146 -0.00316 -0.00494 173 2PX -0.00114 0.00343 -0.00150 0.00258 0.00379 174 2PY 0.00163 -0.00631 -0.00098 0.00132 0.00601 175 2PZ 0.00106 0.00331 -0.00051 0.00143 0.00241 176 3S -0.00023 -0.00303 0.00214 -0.00368 -0.00726 177 3PX -0.00044 0.00209 0.00085 -0.00243 -0.00253 178 3PY -0.00108 -0.00436 -0.00014 0.00061 0.00593 179 3PZ -0.00048 0.00069 -0.00081 0.00134 0.00148 180 4XX -0.00008 -0.00033 -0.00030 0.00069 0.00092 181 4YY 0.00007 0.00029 0.00022 -0.00059 -0.00082 182 4ZZ 0.00010 0.00030 -0.00011 0.00020 0.00015 183 4XY -0.00008 0.00018 0.00013 0.00007 0.00021 184 4XZ 0.00028 0.00021 0.00006 -0.00001 -0.00004 185 4YZ -0.00034 0.00030 -0.00009 0.00026 -0.00002 186 22 H 1S 0.00047 0.00154 0.00011 0.00010 -0.00003 187 2S 0.00051 0.00165 -0.00052 0.00167 0.00244 188 23 H 1S -0.00109 -0.00100 -0.00114 0.00218 0.00313 189 2S -0.00069 -0.00061 -0.00345 0.00717 0.01062 106 107 108 109 110 106 2PY 0.38112 107 2PZ 0.00398 0.40015 108 3S 0.00449 0.02951 0.31661 109 3PX 0.00135 0.00023 0.01343 0.08895 110 3PY 0.17478 0.00087 0.00454 0.00399 0.08740 111 3PZ 0.00166 0.17903 0.01442 0.00470 0.00054 112 4XX -0.00838 0.01103 0.00061 -0.00654 -0.00339 113 4YY 0.01525 0.00028 -0.00513 0.00060 0.00599 114 4ZZ -0.01006 -0.01441 -0.00144 0.00411 -0.00421 115 4XY -0.00047 0.00100 0.00145 -0.00648 -0.00089 116 4XZ 0.00052 0.00893 -0.00055 0.00513 0.00077 117 4YZ -0.00053 -0.01458 0.00172 0.00046 -0.00034 118 14 H 1S -0.09046 -0.24609 0.07881 0.02309 -0.04112 119 2S -0.07747 -0.22660 -0.00345 0.02447 -0.03435 120 15 H 1S -0.08047 0.06956 0.08698 -0.11387 -0.04155 121 2S -0.06586 0.06414 0.00976 -0.09997 -0.03170 122 16 C 1S -0.06220 -0.00194 0.00743 -0.00123 -0.01339 123 2S 0.12851 0.00416 0.01044 0.00547 0.04076 124 2PX 0.00260 0.00518 0.00699 -0.00955 -0.01499 125 2PY -0.31517 0.00036 -0.12405 0.00030 -0.14739 126 2PZ -0.00033 0.00448 0.00173 -0.00001 -0.00992 127 3S 0.12405 0.00172 -0.02346 0.00318 0.02728 128 3PX -0.00030 0.00000 0.00318 -0.00936 -0.00758 129 3PY -0.14739 0.00994 -0.02728 0.00758 -0.06679 130 3PZ -0.00426 -0.00656 0.00286 -0.00270 -0.00690 131 4XX -0.00739 -0.00084 -0.00733 0.00053 -0.00364 132 4YY 0.00832 -0.00006 0.01334 -0.00060 0.00464 133 4ZZ -0.00779 -0.00005 -0.00345 -0.00042 -0.00364 134 4XY 0.00012 0.00061 0.00013 -0.00558 -0.00026 135 4XZ -0.00087 -0.00033 -0.00019 -0.00054 -0.00122 136 4YZ -0.00013 -0.01102 0.00030 0.00002 0.00018 137 17 H 1S -0.02963 0.02138 -0.02028 -0.00205 -0.01691 138 2S -0.05420 0.03578 -0.01039 -0.00787 -0.02234 139 18 H 1S -0.02680 -0.00813 -0.03330 0.01771 -0.01206 140 2S -0.05106 -0.01878 -0.03856 0.02211 -0.01847 141 19 O 1S -0.00041 -0.00059 -0.00489 -0.00124 -0.00170 142 2S 0.00025 0.00108 0.01225 0.00373 0.00436 143 2PX -0.00459 -0.00520 -0.03592 -0.00295 -0.00522 144 2PY -0.00242 -0.00214 -0.01185 -0.00708 -0.00815 145 2PZ 0.00167 0.00525 0.03075 -0.00084 -0.00402 146 3S 0.00506 0.00339 0.01358 0.00142 0.00753 147 3PX -0.00547 -0.00518 -0.02874 -0.00212 -0.00357 148 3PY -0.00191 -0.00125 -0.00689 -0.00480 -0.00664 149 3PZ 0.00125 0.00448 0.03049 0.00031 -0.00307 150 4XX -0.00051 -0.00048 -0.00159 0.00004 -0.00025 151 4YY -0.00005 -0.00014 0.00021 0.00025 0.00046 152 4ZZ -0.00037 0.00005 0.00074 -0.00005 -0.00043 153 4XY 0.00001 0.00011 0.00152 0.00010 0.00002 154 4XZ 0.00013 -0.00009 0.00053 0.00008 0.00030 155 4YZ 0.00004 -0.00009 -0.00006 0.00024 0.00008 156 20 O 1S 0.00109 0.00111 -0.00155 -0.00042 0.00367 157 2S -0.00234 -0.00124 -0.00300 -0.00191 -0.00816 158 2PX 0.00093 0.00048 -0.01344 0.00446 0.01166 159 2PY 0.00206 -0.00205 -0.03549 -0.01304 0.00112 160 2PZ 0.00211 0.00841 0.03277 0.00616 -0.00409 161 3S -0.00687 -0.01185 0.01109 0.01174 -0.01352 162 3PX -0.00032 0.00167 -0.01576 -0.00004 0.00815 163 3PY 0.00053 -0.00238 -0.02545 -0.00761 0.00040 164 3PZ 0.00217 0.00828 0.02361 0.00191 -0.00476 165 4XX 0.00015 0.00081 -0.00072 -0.00083 0.00053 166 4YY 0.00020 0.00036 -0.00274 -0.00091 0.00032 167 4ZZ -0.00015 0.00070 -0.00033 -0.00005 -0.00009 168 4XY 0.00031 0.00007 -0.00088 0.00015 0.00069 169 4XZ -0.00003 -0.00006 -0.00093 -0.00011 -0.00013 170 4YZ 0.00006 0.00042 0.00078 0.00027 0.00010 171 21 C 1S -0.00079 0.00008 0.00408 0.00122 -0.00091 172 2S 0.00162 -0.00042 -0.01164 -0.00217 0.00357 173 2PX -0.00213 -0.00053 0.01698 0.00153 -0.00551 174 2PY -0.00249 -0.00262 0.00750 0.00584 -0.00294 175 2PZ -0.00040 -0.00198 0.00015 0.00061 -0.00067 176 3S 0.00447 -0.00090 -0.01289 -0.00265 0.00542 177 3PX -0.00088 -0.00503 -0.00460 -0.00042 0.00044 178 3PY -0.00186 -0.00317 -0.00562 0.00172 -0.00377 179 3PZ -0.00003 0.00104 0.00581 -0.00012 -0.00114 180 4XX 0.00011 0.00026 0.00219 -0.00008 -0.00032 181 4YY -0.00006 -0.00003 -0.00107 0.00010 0.00016 182 4ZZ -0.00007 -0.00029 -0.00025 -0.00010 -0.00011 183 4XY -0.00007 -0.00022 -0.00194 -0.00061 -0.00048 184 4XZ 0.00004 -0.00048 -0.00198 -0.00010 0.00035 185 4YZ 0.00008 -0.00009 -0.00025 -0.00042 0.00011 186 22 H 1S -0.00019 -0.00255 -0.00594 -0.00051 0.00054 187 2S -0.00261 -0.00161 -0.00472 0.00073 -0.00161 188 23 H 1S 0.00017 0.00208 0.01396 0.00034 -0.00268 189 2S -0.00033 0.00672 0.03205 0.00214 -0.00669 111 112 113 114 115 111 3PZ 0.08364 112 4XX 0.00441 0.00161 113 4YY 0.00025 -0.00038 0.00123 114 4ZZ -0.00604 -0.00066 -0.00029 0.00156 115 4XY 0.00022 0.00053 -0.00020 -0.00031 0.00089 116 4XZ 0.00403 -0.00012 0.00003 0.00001 -0.00040 117 4YZ -0.00672 -0.00036 -0.00016 0.00052 0.00001 118 14 H 1S -0.11026 -0.00783 -0.00511 0.01314 -0.00169 119 2S -0.09887 -0.00873 -0.00337 0.01364 -0.00232 120 15 H 1S 0.02496 0.01312 -0.00578 -0.00705 0.00990 121 2S 0.02283 0.01314 -0.00444 -0.00741 0.00889 122 16 C 1S -0.00141 0.00213 -0.00691 0.00191 0.00027 123 2S 0.00468 -0.00499 0.01194 -0.00471 -0.00034 124 2PX -0.00255 0.00014 -0.00050 -0.00083 0.01106 125 2PY 0.00428 0.00739 -0.00832 0.00779 0.00012 126 2PZ -0.00656 -0.00084 -0.00005 -0.00005 -0.00061 127 3S 0.00286 -0.00733 0.01334 -0.00345 -0.00013 128 3PX -0.00269 0.00053 -0.00060 -0.00042 0.00558 129 3PY 0.00691 0.00364 -0.00464 0.00364 -0.00026 130 3PZ -0.00628 -0.00072 -0.00028 0.00062 0.00008 131 4XX -0.00072 0.00003 -0.00009 0.00031 -0.00041 132 4YY -0.00028 -0.00009 -0.00007 -0.00023 0.00008 133 4ZZ 0.00062 0.00031 -0.00023 0.00014 0.00029 134 4XY -0.00008 0.00041 -0.00008 -0.00029 0.00073 135 4XZ -0.00054 -0.00002 -0.00008 0.00004 0.00033 136 4YZ -0.00516 -0.00030 -0.00007 0.00041 -0.00011 137 17 H 1S 0.01670 0.00168 0.00190 -0.00097 0.00208 138 2S 0.02287 0.00396 -0.00145 -0.00103 0.00259 139 18 H 1S -0.00087 -0.00159 0.00270 0.00160 -0.00756 140 2S -0.00802 -0.00110 -0.00044 0.00324 -0.00705 141 19 O 1S -0.00039 -0.00012 0.00003 0.00011 -0.00017 142 2S 0.00091 0.00034 -0.00012 -0.00034 0.00034 143 2PX -0.00687 0.00105 -0.00047 -0.00047 -0.00025 144 2PY -0.00425 -0.00003 0.00019 0.00049 -0.00005 145 2PZ 0.00184 -0.00118 0.00025 0.00073 -0.00016 146 3S 0.00147 0.00070 -0.00016 -0.00058 0.00126 147 3PX -0.00617 0.00108 -0.00051 -0.00048 -0.00023 148 3PY -0.00280 -0.00013 0.00027 0.00030 -0.00013 149 3PZ 0.00230 -0.00099 0.00025 0.00052 -0.00030 150 4XX -0.00035 0.00000 -0.00003 0.00005 -0.00004 151 4YY 0.00005 0.00003 -0.00003 -0.00003 -0.00002 152 4ZZ 0.00006 0.00003 0.00000 -0.00004 -0.00003 153 4XY 0.00013 -0.00007 0.00004 0.00004 0.00002 154 4XZ -0.00008 0.00001 -0.00001 -0.00001 0.00001 155 4YZ 0.00010 -0.00005 0.00003 0.00001 0.00001 156 20 O 1S -0.00071 0.00051 -0.00008 -0.00048 0.00014 157 2S 0.00097 -0.00101 0.00029 0.00113 -0.00024 158 2PX -0.01572 0.00387 -0.00161 -0.00363 0.00018 159 2PY -0.00289 0.00036 0.00047 0.00057 -0.00002 160 2PZ 0.03342 -0.00241 0.00108 0.00235 0.00008 161 3S -0.00007 -0.00312 0.00022 0.00269 -0.00112 162 3PX -0.01214 0.00320 -0.00123 -0.00273 0.00027 163 3PY -0.00169 0.00004 0.00027 0.00060 -0.00008 164 3PZ 0.02472 -0.00227 0.00116 0.00196 0.00018 165 4XX 0.00058 0.00032 -0.00008 -0.00019 0.00006 166 4YY -0.00001 0.00003 0.00004 0.00003 0.00001 167 4ZZ -0.00031 -0.00004 0.00002 -0.00001 0.00001 168 4XY -0.00047 0.00017 -0.00006 -0.00016 0.00001 169 4XZ 0.00010 -0.00010 0.00002 0.00010 -0.00001 170 4YZ 0.00133 0.00000 -0.00001 0.00003 0.00002 171 21 C 1S 0.00031 -0.00031 0.00000 0.00011 0.00001 172 2S -0.00058 0.00073 -0.00023 -0.00036 0.00000 173 2PX 0.00192 -0.00097 0.00021 0.00065 0.00000 174 2PY -0.00001 -0.00137 0.00013 0.00087 -0.00032 175 2PZ -0.00484 -0.00043 0.00010 0.00016 -0.00004 176 3S -0.00071 0.00106 -0.00024 -0.00076 -0.00002 177 3PX -0.00326 -0.00011 -0.00020 0.00032 0.00003 178 3PY -0.00148 -0.00128 0.00032 0.00110 -0.00037 179 3PZ 0.00192 -0.00064 0.00019 0.00051 0.00001 180 4XX 0.00111 -0.00020 0.00009 0.00017 0.00000 181 4YY -0.00035 0.00015 -0.00006 -0.00011 0.00001 182 4ZZ -0.00077 -0.00003 0.00001 -0.00001 -0.00001 183 4XY 0.00010 -0.00004 0.00004 0.00009 -0.00002 184 4XZ -0.00125 0.00006 -0.00001 -0.00008 -0.00001 185 4YZ -0.00107 0.00010 -0.00003 -0.00009 0.00000 186 22 H 1S -0.00588 0.00010 -0.00005 -0.00019 -0.00003 187 2S -0.00809 0.00038 -0.00008 -0.00058 -0.00004 188 23 H 1S 0.00684 -0.00083 0.00030 0.00070 0.00000 189 2S 0.01308 -0.00196 0.00080 0.00139 -0.00004 116 117 118 119 120 116 4XZ 0.00065 117 4YZ -0.00032 0.00095 118 14 H 1S -0.00470 0.01047 0.21677 119 2S -0.00364 0.00946 0.17930 0.17240 120 15 H 1S -0.00626 -0.00220 -0.02461 -0.05553 0.21519 121 2S -0.00503 -0.00252 -0.05111 -0.06291 0.17214 122 16 C 1S -0.00003 0.00016 0.00750 0.00827 0.00849 123 2S 0.00021 -0.00014 -0.01927 -0.01896 -0.02092 124 2PX -0.00040 -0.00058 -0.00768 -0.02006 0.02233 125 2PY 0.00087 -0.00013 0.02963 0.05420 0.02680 126 2PZ -0.00033 0.01102 0.02138 0.03577 -0.00813 127 3S -0.00019 -0.00030 -0.02029 -0.01040 -0.03329 128 3PX -0.00055 -0.00002 -0.00205 -0.00787 0.01771 129 3PY 0.00122 0.00018 0.01691 0.02235 0.01206 130 3PZ -0.00054 0.00516 0.01669 0.02286 -0.00087 131 4XX -0.00002 0.00030 0.00168 0.00396 -0.00159 132 4YY -0.00008 0.00007 0.00191 -0.00144 0.00270 133 4ZZ 0.00004 -0.00041 -0.00098 -0.00103 0.00160 134 4XY -0.00033 -0.00011 -0.00207 -0.00259 0.00756 135 4XZ -0.00005 0.00025 0.00076 0.00070 0.00077 136 4YZ -0.00025 0.00079 0.00760 0.00746 -0.00233 137 17 H 1S 0.00076 -0.00760 -0.02802 -0.03300 0.01642 138 2S 0.00070 -0.00746 -0.03301 -0.03951 0.03289 139 18 H 1S 0.00078 0.00233 0.01641 0.03288 -0.03097 140 2S 0.00066 0.00265 0.02854 0.04383 -0.03287 141 19 O 1S -0.00006 0.00003 0.00093 0.00141 -0.00084 142 2S 0.00013 0.00002 -0.00183 -0.00309 0.00221 143 2PX -0.00064 0.00013 -0.00017 0.00321 0.00346 144 2PY -0.00020 -0.00009 0.00170 0.00048 -0.00090 145 2PZ 0.00038 -0.00034 0.00091 -0.00475 -0.00468 146 3S 0.00016 -0.00041 -0.00731 -0.00846 0.00626 147 3PX -0.00058 0.00025 0.00048 0.00270 0.00396 148 3PY -0.00013 -0.00005 0.00153 0.00017 -0.00110 149 3PZ 0.00046 -0.00017 0.00141 -0.00447 -0.00449 150 4XX -0.00004 0.00003 0.00042 0.00082 -0.00013 151 4YY -0.00001 0.00003 0.00010 0.00013 0.00009 152 4ZZ 0.00002 0.00004 0.00013 -0.00029 0.00004 153 4XY 0.00002 -0.00001 0.00007 -0.00013 -0.00016 154 4XZ 0.00001 0.00001 -0.00006 -0.00020 0.00004 155 4YZ 0.00001 -0.00001 0.00006 0.00020 -0.00015 156 20 O 1S -0.00004 0.00009 -0.00258 -0.00236 0.00282 157 2S -0.00001 -0.00023 0.00478 0.00441 -0.00546 158 2PX -0.00019 0.00050 -0.01275 -0.02355 0.01672 159 2PY -0.00045 0.00027 0.00189 0.00792 -0.00082 160 2PZ 0.00013 -0.00117 0.00315 0.02458 -0.00972 161 3S 0.00009 -0.00005 0.01924 0.01852 -0.02004 162 3PX -0.00016 0.00031 -0.01151 -0.01922 0.01460 163 3PY -0.00037 0.00016 0.00251 0.00760 -0.00185 164 3PZ 0.00011 -0.00101 0.00139 0.01707 -0.00719 165 4XX -0.00002 -0.00002 -0.00134 -0.00120 0.00151 166 4YY -0.00002 -0.00002 -0.00040 0.00027 0.00015 167 4ZZ 0.00003 -0.00001 -0.00038 -0.00064 0.00007 168 4XY -0.00001 0.00002 -0.00065 -0.00086 0.00072 169 4XZ -0.00002 -0.00002 0.00033 0.00069 -0.00045 170 4YZ 0.00000 -0.00003 -0.00017 0.00077 0.00006 171 21 C 1S 0.00012 0.00000 0.00065 0.00001 -0.00085 172 2S -0.00023 0.00009 -0.00191 0.00066 0.00272 173 2PX 0.00023 -0.00020 0.00270 0.00041 -0.00322 174 2PY 0.00014 0.00001 0.00507 0.00585 -0.00622 175 2PZ 0.00011 0.00009 0.00138 -0.00251 -0.00156 176 3S -0.00033 0.00014 -0.00317 -0.00050 0.00386 177 3PX -0.00014 -0.00003 0.00186 0.00212 0.00003 178 3PY 0.00001 0.00000 0.00537 0.00796 -0.00695 179 3PZ 0.00010 -0.00010 0.00104 0.00150 -0.00187 180 4XX 0.00003 -0.00004 0.00052 0.00096 -0.00081 181 4YY -0.00003 0.00001 -0.00043 -0.00048 0.00063 182 4ZZ 0.00002 0.00002 0.00012 -0.00048 -0.00004 183 4XY -0.00003 -0.00001 0.00038 0.00090 -0.00036 184 4XZ -0.00001 0.00004 -0.00003 -0.00060 0.00022 185 4YZ 0.00001 0.00003 -0.00021 -0.00118 0.00038 186 22 H 1S 0.00000 0.00018 0.00038 -0.00304 0.00041 187 2S 0.00012 0.00031 0.00003 -0.00685 0.00113 188 23 H 1S 0.00015 -0.00026 0.00165 0.00413 -0.00321 189 2S 0.00051 -0.00047 0.00327 0.00566 -0.00781 121 122 123 124 125 121 2S 0.15965 122 16 C 1S 0.01082 2.05093 123 2S -0.02314 -0.05356 0.30675 124 2PX 0.03249 0.00216 -0.00247 0.39946 125 2PY 0.05106 -0.00197 0.00049 -0.00273 0.38112 126 2PZ -0.01880 0.00106 -0.00015 -0.00826 -0.00398 127 3S -0.03855 -0.18822 0.28344 0.02739 -0.00449 128 3PX 0.02212 -0.00084 -0.00408 0.18488 -0.00135 129 3PY 0.01847 0.00045 0.00297 -0.00883 0.17478 130 3PZ -0.00802 0.00065 -0.00479 0.00274 -0.00166 131 4XX -0.00111 -0.01716 -0.00165 -0.01424 0.00838 132 4YY -0.00044 -0.01550 -0.00526 0.00118 -0.01525 133 4ZZ 0.00325 -0.01720 -0.00155 0.00941 0.01006 134 4XY 0.00705 0.00095 -0.00184 0.01373 -0.00047 135 4XZ 0.00066 0.00087 -0.00221 0.01148 -0.00052 136 4YZ -0.00265 0.00108 -0.00202 -0.00121 -0.00053 137 17 H 1S 0.02855 -0.05232 0.10153 0.05699 0.09043 138 2S 0.04384 -0.00563 0.02059 0.05728 0.07744 139 18 H 1S -0.03287 -0.05287 0.10266 -0.24469 0.08049 140 2S -0.03048 -0.00681 0.02188 -0.21796 0.06587 141 19 O 1S -0.00168 0.00044 -0.00157 -0.00371 -0.00109 142 2S 0.00459 -0.00137 0.00300 0.00679 0.00234 143 2PX 0.01451 0.00296 -0.01008 -0.01532 -0.00093 144 2PY -0.00448 -0.00165 -0.00188 0.00018 0.00206 145 2PZ -0.02098 0.00003 -0.00152 0.00341 -0.00211 146 3S 0.01139 -0.00055 0.01055 0.02855 0.00687 147 3PX 0.01388 0.00206 -0.00959 -0.01531 0.00032 148 3PY -0.00490 -0.00172 -0.00105 -0.00127 0.00053 149 3PZ -0.01877 -0.00059 -0.00081 0.00060 -0.00217 150 4XX 0.00012 0.00012 -0.00090 -0.00191 -0.00015 151 4YY 0.00034 -0.00010 -0.00042 -0.00058 -0.00020 152 4ZZ -0.00022 -0.00034 -0.00011 -0.00008 0.00015 153 4XY -0.00071 -0.00009 0.00065 0.00087 0.00031 154 4XZ 0.00016 0.00013 0.00010 0.00037 0.00003 155 4YZ 0.00001 -0.00005 0.00045 0.00045 0.00006 156 20 O 1S 0.00487 0.00015 0.00042 0.00037 0.00041 157 2S -0.01002 -0.00021 -0.00070 -0.00066 -0.00025 158 2PX 0.04162 0.00393 -0.00729 -0.00858 0.00459 159 2PY -0.00279 -0.00083 -0.00074 0.00008 -0.00242 160 2PZ -0.02838 -0.00361 0.00760 0.00807 -0.00167 161 3S -0.02791 -0.00062 -0.00499 -0.00697 -0.00506 162 3PX 0.03392 0.00366 -0.00589 -0.00780 0.00547 163 3PY -0.00266 -0.00033 -0.00159 -0.00074 -0.00191 164 3PZ -0.02418 -0.00369 0.00831 0.00906 -0.00125 165 4XX 0.00237 0.00027 -0.00037 -0.00026 0.00051 166 4YY 0.00023 0.00008 0.00010 0.00004 0.00005 167 4ZZ -0.00001 -0.00004 0.00041 0.00041 0.00037 168 4XY 0.00189 0.00015 -0.00024 -0.00029 0.00001 169 4XZ -0.00068 -0.00001 -0.00003 0.00002 -0.00013 170 4YZ -0.00009 0.00000 0.00006 -0.00011 0.00004 171 21 C 1S -0.00217 -0.00054 0.00085 0.00145 0.00079 172 2S 0.00712 0.00146 -0.00316 -0.00494 -0.00162 173 2PX -0.00980 -0.00150 0.00258 0.00379 0.00213 174 2PY -0.00907 0.00098 -0.00132 -0.00601 -0.00249 175 2PZ -0.00118 -0.00051 0.00143 0.00241 0.00040 176 3S 0.00946 0.00214 -0.00368 -0.00726 -0.00447 177 3PX 0.00267 0.00085 -0.00243 -0.00254 0.00088 178 3PY -0.01008 0.00014 -0.00061 -0.00593 -0.00186 179 3PZ -0.00586 -0.00081 0.00134 0.00148 0.00002 180 4XX -0.00244 -0.00030 0.00069 0.00092 -0.00011 181 4YY 0.00159 0.00022 -0.00059 -0.00082 0.00006 182 4ZZ 0.00008 -0.00011 0.00020 0.00015 0.00007 183 4XY -0.00069 -0.00013 -0.00007 -0.00021 -0.00007 184 4XZ 0.00119 0.00006 -0.00001 -0.00004 -0.00004 185 4YZ 0.00057 0.00009 -0.00026 0.00002 0.00008 186 22 H 1S 0.00366 0.00011 0.00010 -0.00003 0.00019 187 2S 0.00550 -0.00052 0.00167 0.00244 0.00261 188 23 H 1S -0.01108 -0.00114 0.00218 0.00313 -0.00017 189 2S -0.02543 -0.00345 0.00717 0.01062 0.00033 126 127 128 129 130 126 2PZ 0.40015 127 3S 0.02951 0.31661 128 3PX 0.00023 0.01343 0.08894 129 3PY -0.00087 -0.00454 -0.00399 0.08740 130 3PZ 0.17903 0.01442 0.00470 -0.00054 0.08364 131 4XX 0.01103 0.00061 -0.00655 0.00340 0.00441 132 4YY 0.00028 -0.00513 0.00060 -0.00600 0.00026 133 4ZZ -0.01441 -0.00144 0.00411 0.00421 -0.00604 134 4XY -0.00100 -0.00145 0.00648 -0.00089 -0.00022 135 4XZ 0.00893 -0.00055 0.00512 -0.00077 0.00403 136 4YZ 0.01458 -0.00172 -0.00046 -0.00034 0.00671 137 17 H 1S -0.24609 0.07881 0.02311 0.04111 -0.11026 138 2S -0.22660 -0.00345 0.02449 0.03434 -0.09887 139 18 H 1S 0.06952 0.08698 -0.11388 0.04155 0.02494 140 2S 0.06411 0.00976 -0.09997 0.03170 0.02281 141 19 O 1S 0.00111 -0.00155 -0.00042 -0.00367 -0.00071 142 2S -0.00124 -0.00300 -0.00192 0.00816 0.00097 143 2PX 0.00048 -0.01343 0.00447 -0.01166 -0.01572 144 2PY 0.00205 0.03549 0.01304 0.00111 0.00289 145 2PZ 0.00841 0.03275 0.00614 0.00409 0.03341 146 3S -0.01185 0.01109 0.01174 0.01352 -0.00007 147 3PX 0.00167 -0.01575 -0.00004 -0.00815 -0.01213 148 3PY 0.00238 0.02545 0.00761 0.00039 0.00169 149 3PZ 0.00828 0.02360 0.00190 0.00476 0.02472 150 4XX 0.00081 -0.00072 -0.00083 -0.00053 0.00058 151 4YY 0.00036 -0.00274 -0.00091 -0.00032 -0.00001 152 4ZZ 0.00070 -0.00033 -0.00005 0.00009 -0.00031 153 4XY -0.00007 0.00087 -0.00015 0.00069 0.00047 154 4XZ -0.00006 -0.00093 -0.00011 0.00013 0.00010 155 4YZ -0.00042 -0.00078 -0.00027 0.00010 -0.00133 156 20 O 1S -0.00059 -0.00489 -0.00123 0.00170 -0.00039 157 2S 0.00108 0.01225 0.00373 -0.00436 0.00091 158 2PX -0.00520 -0.03591 -0.00294 0.00522 -0.00687 159 2PY 0.00214 0.01185 0.00707 -0.00814 0.00425 160 2PZ 0.00525 0.03074 -0.00085 0.00402 0.00183 161 3S 0.00339 0.01358 0.00142 -0.00753 0.00147 162 3PX -0.00518 -0.02874 -0.00211 0.00357 -0.00616 163 3PY 0.00125 0.00689 0.00480 -0.00663 0.00281 164 3PZ 0.00448 0.03048 0.00030 0.00307 0.00229 165 4XX -0.00048 -0.00159 0.00004 0.00025 -0.00035 166 4YY -0.00014 0.00021 0.00025 -0.00046 0.00005 167 4ZZ 0.00005 0.00074 -0.00005 0.00043 0.00006 168 4XY -0.00011 -0.00152 -0.00009 0.00002 -0.00013 169 4XZ -0.00009 0.00053 0.00008 -0.00030 -0.00008 170 4YZ 0.00009 0.00006 -0.00024 0.00008 -0.00010 171 21 C 1S 0.00008 0.00408 0.00122 0.00091 0.00031 172 2S -0.00042 -0.01164 -0.00217 -0.00357 -0.00058 173 2PX -0.00053 0.01698 0.00153 0.00550 0.00191 174 2PY 0.00262 -0.00750 -0.00584 -0.00294 0.00001 175 2PZ -0.00198 0.00015 0.00061 0.00067 -0.00484 176 3S -0.00090 -0.01288 -0.00265 -0.00542 -0.00071 177 3PX -0.00502 -0.00459 -0.00042 -0.00044 -0.00326 178 3PY 0.00317 0.00562 -0.00172 -0.00378 0.00148 179 3PZ 0.00104 0.00580 -0.00013 0.00114 0.00192 180 4XX 0.00026 0.00219 -0.00009 0.00032 0.00111 181 4YY -0.00003 -0.00107 0.00010 -0.00016 -0.00035 182 4ZZ -0.00029 -0.00025 -0.00010 0.00011 -0.00077 183 4XY 0.00022 0.00194 0.00061 -0.00048 -0.00010 184 4XZ -0.00048 -0.00198 -0.00010 -0.00035 -0.00125 185 4YZ 0.00009 0.00025 0.00042 0.00011 0.00107 186 22 H 1S -0.00255 -0.00594 -0.00051 -0.00054 -0.00587 187 2S -0.00161 -0.00471 0.00073 0.00161 -0.00809 188 23 H 1S 0.00208 0.01395 0.00033 0.00268 0.00684 189 2S 0.00672 0.03204 0.00213 0.00669 0.01307 131 132 133 134 135 131 4XX 0.00161 132 4YY -0.00038 0.00123 133 4ZZ -0.00066 -0.00029 0.00156 134 4XY -0.00053 0.00020 0.00031 0.00089 135 4XZ -0.00012 0.00003 0.00001 0.00040 0.00065 136 4YZ 0.00036 0.00016 -0.00052 0.00001 0.00032 137 17 H 1S -0.00782 -0.00511 0.01314 0.00170 -0.00470 138 2S -0.00873 -0.00338 0.01364 0.00232 -0.00364 139 18 H 1S 0.01312 -0.00578 -0.00705 -0.00990 -0.00626 140 2S 0.01314 -0.00444 -0.00742 -0.00889 -0.00503 141 19 O 1S 0.00051 -0.00008 -0.00048 -0.00014 -0.00004 142 2S -0.00101 0.00029 0.00113 0.00024 -0.00001 143 2PX 0.00387 -0.00161 -0.00363 -0.00018 -0.00019 144 2PY -0.00036 -0.00047 -0.00057 -0.00002 0.00045 145 2PZ -0.00241 0.00108 0.00235 -0.00008 0.00013 146 3S -0.00312 0.00022 0.00269 0.00112 0.00009 147 3PX 0.00320 -0.00123 -0.00273 -0.00027 -0.00015 148 3PY -0.00004 -0.00027 -0.00060 -0.00008 0.00037 149 3PZ -0.00227 0.00116 0.00196 -0.00018 0.00011 150 4XX 0.00032 -0.00008 -0.00019 -0.00006 -0.00002 151 4YY 0.00003 0.00004 0.00003 -0.00001 -0.00002 152 4ZZ -0.00004 0.00002 -0.00001 -0.00001 0.00003 153 4XY -0.00017 0.00006 0.00016 0.00001 0.00001 154 4XZ -0.00010 0.00002 0.00010 0.00001 -0.00002 155 4YZ 0.00000 0.00001 -0.00003 0.00002 0.00000 156 20 O 1S -0.00012 0.00003 0.00011 0.00017 -0.00006 157 2S 0.00034 -0.00012 -0.00034 -0.00034 0.00013 158 2PX 0.00105 -0.00047 -0.00047 0.00025 -0.00064 159 2PY 0.00003 -0.00019 -0.00049 -0.00005 0.00020 160 2PZ -0.00118 0.00025 0.00073 0.00016 0.00038 161 3S 0.00070 -0.00016 -0.00058 -0.00126 0.00016 162 3PX 0.00108 -0.00051 -0.00048 0.00023 -0.00058 163 3PY 0.00013 -0.00027 -0.00030 -0.00013 0.00013 164 3PZ -0.00099 0.00025 0.00052 0.00030 0.00046 165 4XX 0.00000 -0.00003 0.00005 0.00004 -0.00004 166 4YY 0.00003 -0.00003 -0.00003 0.00002 -0.00001 167 4ZZ 0.00003 0.00000 -0.00004 0.00003 0.00002 168 4XY 0.00007 -0.00004 -0.00004 0.00002 -0.00002 169 4XZ 0.00001 -0.00001 -0.00001 -0.00001 0.00001 170 4YZ 0.00005 -0.00003 -0.00001 0.00001 -0.00001 171 21 C 1S -0.00031 0.00000 0.00011 -0.00001 0.00012 172 2S 0.00073 -0.00023 -0.00036 0.00000 -0.00023 173 2PX -0.00097 0.00021 0.00065 0.00000 0.00023 174 2PY 0.00137 -0.00013 -0.00087 -0.00032 -0.00014 175 2PZ -0.00043 0.00010 0.00016 0.00004 0.00011 176 3S 0.00106 -0.00024 -0.00076 0.00002 -0.00033 177 3PX -0.00011 -0.00020 0.00032 -0.00003 -0.00014 178 3PY 0.00128 -0.00032 -0.00110 -0.00037 -0.00001 179 3PZ -0.00064 0.00019 0.00051 -0.00001 0.00010 180 4XX -0.00020 0.00009 0.00017 0.00000 0.00003 181 4YY 0.00015 -0.00006 -0.00011 -0.00001 -0.00003 182 4ZZ -0.00003 0.00001 -0.00001 0.00001 0.00002 183 4XY 0.00004 -0.00004 -0.00009 -0.00002 0.00003 184 4XZ 0.00006 -0.00001 -0.00008 0.00001 -0.00001 185 4YZ -0.00010 0.00003 0.00009 0.00000 -0.00001 186 22 H 1S 0.00010 -0.00005 -0.00019 0.00003 0.00000 187 2S 0.00038 -0.00008 -0.00058 0.00004 0.00012 188 23 H 1S -0.00083 0.00030 0.00070 0.00000 0.00015 189 2S -0.00196 0.00080 0.00139 0.00004 0.00051 136 137 138 139 140 136 4YZ 0.00095 137 17 H 1S -0.01046 0.21677 138 2S -0.00945 0.17930 0.17241 139 18 H 1S 0.00220 -0.02461 -0.05553 0.21519 140 2S 0.00252 -0.05111 -0.06291 0.17214 0.15965 141 19 O 1S -0.00009 -0.00258 -0.00236 0.00282 0.00487 142 2S 0.00023 0.00478 0.00441 -0.00546 -0.01002 143 2PX -0.00050 -0.01275 -0.02355 0.01672 0.04162 144 2PY 0.00027 -0.00189 -0.00792 0.00082 0.00279 145 2PZ 0.00117 0.00315 0.02459 -0.00972 -0.02838 146 3S 0.00005 0.01925 0.01852 -0.02004 -0.02791 147 3PX -0.00031 -0.01151 -0.01923 0.01460 0.03393 148 3PY 0.00016 -0.00251 -0.00760 0.00185 0.00266 149 3PZ 0.00101 0.00139 0.01707 -0.00719 -0.02418 150 4XX 0.00002 -0.00134 -0.00120 0.00151 0.00237 151 4YY 0.00002 -0.00040 0.00027 0.00015 0.00023 152 4ZZ 0.00001 -0.00038 -0.00064 0.00007 -0.00001 153 4XY 0.00002 0.00065 0.00086 -0.00072 -0.00189 154 4XZ 0.00002 0.00033 0.00069 -0.00045 -0.00068 155 4YZ -0.00003 0.00017 -0.00077 -0.00006 0.00009 156 20 O 1S -0.00003 0.00093 0.00141 -0.00084 -0.00168 157 2S -0.00002 -0.00183 -0.00309 0.00221 0.00459 158 2PX -0.00013 -0.00017 0.00322 0.00346 0.01451 159 2PY -0.00009 -0.00170 -0.00048 0.00090 0.00447 160 2PZ 0.00034 0.00091 -0.00475 -0.00468 -0.02098 161 3S 0.00041 -0.00731 -0.00846 0.00626 0.01139 162 3PX -0.00025 0.00048 0.00270 0.00396 0.01389 163 3PY -0.00005 -0.00153 -0.00017 0.00110 0.00490 164 3PZ 0.00017 0.00141 -0.00447 -0.00449 -0.01877 165 4XX -0.00003 0.00042 0.00082 -0.00013 0.00012 166 4YY -0.00003 0.00010 0.00013 0.00009 0.00034 167 4ZZ -0.00004 0.00013 -0.00029 0.00004 -0.00022 168 4XY -0.00001 -0.00007 0.00013 0.00016 0.00071 169 4XZ -0.00001 -0.00006 -0.00020 0.00004 0.00016 170 4YZ -0.00001 -0.00006 -0.00020 0.00015 -0.00001 171 21 C 1S 0.00000 0.00065 0.00001 -0.00085 -0.00217 172 2S -0.00009 -0.00191 0.00066 0.00272 0.00712 173 2PX 0.00020 0.00270 0.00041 -0.00322 -0.00980 174 2PY 0.00001 -0.00507 -0.00585 0.00622 0.00907 175 2PZ -0.00009 0.00138 -0.00251 -0.00156 -0.00118 176 3S -0.00014 -0.00318 -0.00051 0.00386 0.00946 177 3PX 0.00003 0.00186 0.00212 0.00003 0.00267 178 3PY 0.00000 -0.00537 -0.00796 0.00695 0.01008 179 3PZ 0.00010 0.00104 0.00150 -0.00187 -0.00586 180 4XX 0.00004 0.00052 0.00096 -0.00081 -0.00244 181 4YY -0.00001 -0.00043 -0.00048 0.00063 0.00159 182 4ZZ -0.00002 0.00012 -0.00048 -0.00004 0.00008 183 4XY -0.00001 -0.00038 -0.00090 0.00036 0.00069 184 4XZ -0.00004 -0.00003 -0.00060 0.00022 0.00119 185 4YZ 0.00003 0.00021 0.00118 -0.00038 -0.00057 186 22 H 1S -0.00018 0.00038 -0.00304 0.00041 0.00366 187 2S -0.00031 0.00003 -0.00685 0.00113 0.00550 188 23 H 1S 0.00026 0.00165 0.00413 -0.00321 -0.01108 189 2S 0.00047 0.00327 0.00566 -0.00781 -0.02543 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.17780 0.50274 143 2PX -0.00636 0.01603 0.61893 144 2PY -0.03934 0.07420 0.05183 0.66749 145 2PZ -0.01473 0.02195 -0.12922 0.00024 0.74388 146 3S -0.24634 0.59440 0.01670 0.21224 0.11210 147 3PX -0.00455 0.01074 0.37211 0.06148 -0.14988 148 3PY -0.02576 0.04951 0.05984 0.42594 0.00053 149 3PZ -0.01067 0.01633 -0.13510 0.00842 0.49384 150 4XX -0.01619 -0.00080 -0.00625 0.00495 0.00255 151 4YY -0.01262 -0.00841 -0.00035 -0.04101 0.00096 152 4ZZ -0.01277 -0.00781 0.00492 0.00627 -0.01860 153 4XY 0.00166 -0.00377 -0.02715 -0.00461 0.00501 154 4XZ -0.00340 0.00727 -0.00843 -0.00122 -0.00375 155 4YZ 0.00109 -0.00217 0.00342 -0.00832 -0.02954 156 20 O 1S 0.00077 -0.00160 -0.00910 -0.01112 -0.00310 157 2S -0.00160 0.00452 0.01812 0.02882 0.00330 158 2PX -0.00910 0.01812 0.00971 -0.00655 -0.01635 159 2PY 0.01112 -0.02882 0.00655 0.13503 -0.00427 160 2PZ -0.00310 0.00330 -0.01635 0.00427 -0.01311 161 3S -0.01102 0.02308 0.07518 0.06163 0.01889 162 3PX -0.01177 0.02562 0.02098 -0.00494 -0.01555 163 3PY 0.00498 -0.01321 0.01229 0.10394 -0.00626 164 3PZ -0.00397 0.00693 -0.00999 0.00410 -0.01050 165 4XX 0.00000 0.00009 -0.00255 0.00359 -0.00261 166 4YY 0.00031 -0.00108 0.00115 -0.00255 -0.00063 167 4ZZ -0.00004 0.00051 -0.00203 0.00079 -0.00135 168 4XY -0.00099 0.00234 0.00158 -0.00245 -0.00155 169 4XZ 0.00039 -0.00093 0.00036 0.00261 -0.00268 170 4YZ -0.00056 0.00137 -0.00055 -0.00314 -0.00084 171 21 C 1S 0.00368 -0.00672 -0.03470 0.05992 -0.01056 172 2S -0.00203 0.00297 0.07271 -0.13211 0.01808 173 2PX 0.02027 -0.04948 -0.09687 0.18917 -0.03500 174 2PY -0.02801 0.06706 0.17471 -0.22062 0.06339 175 2PZ 0.00807 -0.01881 -0.03594 0.06964 -0.01037 176 3S 0.02965 -0.07504 0.04357 -0.09851 0.00491 177 3PX -0.00241 0.00617 -0.01034 0.06250 -0.04482 178 3PY -0.00259 0.00242 0.07793 -0.01595 0.01981 179 3PZ -0.00277 0.00519 -0.04616 0.02575 0.04519 180 4XX 0.00099 -0.00186 -0.02081 -0.00948 0.01054 181 4YY -0.00619 0.01488 0.02163 0.00439 0.00454 182 4ZZ 0.00363 -0.00782 -0.00450 0.00733 -0.01650 183 4XY 0.00596 -0.01406 -0.00416 0.02790 -0.01232 184 4XZ -0.00064 0.00192 0.00781 -0.00848 -0.01795 185 4YZ 0.00161 -0.00409 -0.01289 0.00887 0.02081 186 22 H 1S 0.01123 -0.02517 0.00185 0.01430 -0.06397 187 2S 0.00725 -0.01491 0.02330 0.03434 -0.11727 188 23 H 1S 0.00801 -0.02061 -0.06403 0.01288 0.05215 189 2S 0.00100 -0.00591 -0.12383 0.03428 0.13124 146 147 148 149 150 146 3S 0.76069 147 3PX 0.01069 0.23557 148 3PY 0.13518 0.05352 0.27449 149 3PZ 0.07653 -0.12927 0.00435 0.33562 150 4XX -0.00067 -0.00334 0.00251 0.00185 0.00074 151 4YY -0.01783 -0.00225 -0.02579 -0.00021 -0.00028 152 4ZZ -0.01080 0.00471 0.00415 -0.01187 0.00002 153 4XY -0.00352 -0.01606 -0.00408 0.00536 0.00009 154 4XZ 0.00701 -0.00438 -0.00132 -0.00179 0.00011 155 4YZ -0.00677 0.00422 -0.00517 -0.01899 -0.00027 156 20 O 1S -0.01102 -0.01177 -0.00498 -0.00397 0.00000 157 2S 0.02308 0.02562 0.01321 0.00693 0.00009 158 2PX 0.07518 0.02098 -0.01229 -0.00999 -0.00255 159 2PY -0.06163 0.00494 0.10394 -0.00410 -0.00359 160 2PZ 0.01890 -0.01555 0.00625 -0.01050 -0.00261 161 3S 0.06983 0.06313 0.03226 0.01407 0.00030 162 3PX 0.06313 0.02448 -0.00922 -0.01259 -0.00108 163 3PY -0.03226 0.00922 0.07743 -0.00648 -0.00177 164 3PZ 0.01407 -0.01259 0.00648 -0.00572 -0.00182 165 4XX 0.00030 -0.00108 0.00177 -0.00182 0.00036 166 4YY -0.00505 0.00019 -0.00042 -0.00089 -0.00033 167 4ZZ 0.00033 -0.00127 0.00037 -0.00048 0.00001 168 4XY 0.00364 0.00128 -0.00200 -0.00105 0.00004 169 4XZ -0.00163 0.00074 0.00161 -0.00200 0.00003 170 4YZ 0.00165 -0.00027 -0.00232 -0.00130 0.00004 171 21 C 1S 0.01957 -0.01125 0.03577 -0.00085 -0.00075 172 2S -0.05251 0.02666 -0.07755 -0.00023 0.00110 173 2PX -0.03486 -0.05639 0.11134 -0.00520 0.00914 174 2PY 0.03409 0.07987 -0.13355 0.02262 -0.00066 175 2PZ -0.01699 -0.00577 0.03805 -0.02126 -0.00076 176 3S -0.13434 0.01208 -0.05908 -0.00684 0.00253 177 3PX 0.01247 -0.00013 0.03572 -0.02735 0.00327 178 3PY -0.00765 0.04104 -0.00586 0.00586 0.00023 179 3PZ 0.01191 -0.02741 0.01361 0.02749 0.00008 180 4XX -0.00485 -0.01459 -0.00613 0.00906 0.00018 181 4YY 0.02277 0.01356 0.00339 0.00147 -0.00055 182 4ZZ -0.01117 -0.00074 0.00409 -0.01070 0.00023 183 4XY -0.01300 0.00047 0.01782 -0.00718 0.00004 184 4XZ -0.00159 0.00694 -0.00506 -0.01304 -0.00057 185 4YZ -0.00067 -0.00860 0.00511 0.01492 0.00022 186 22 H 1S -0.05214 0.01063 0.00658 -0.05254 0.00087 187 2S -0.03215 0.03140 0.02008 -0.08475 -0.00049 188 23 H 1S -0.03252 -0.05656 0.00786 0.04855 0.00535 189 2S 0.00354 -0.09829 0.02123 0.10793 0.00406 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00029 0.00115 153 4XY 0.00013 -0.00025 0.00154 154 4XZ -0.00005 0.00011 0.00035 0.00055 155 4YZ 0.00043 0.00061 0.00006 0.00011 0.00156 156 20 O 1S 0.00031 -0.00004 0.00099 0.00039 0.00056 157 2S -0.00108 0.00051 -0.00234 -0.00093 -0.00137 158 2PX 0.00115 -0.00203 -0.00158 0.00036 0.00055 159 2PY 0.00255 -0.00079 -0.00245 -0.00261 -0.00314 160 2PZ -0.00063 -0.00135 0.00155 -0.00268 0.00084 161 3S -0.00505 0.00033 -0.00364 -0.00163 -0.00165 162 3PX 0.00019 -0.00127 -0.00128 0.00074 0.00027 163 3PY 0.00042 -0.00037 -0.00200 -0.00161 -0.00232 164 3PZ -0.00090 -0.00048 0.00105 -0.00200 0.00130 165 4XX -0.00033 0.00001 -0.00004 0.00003 -0.00004 166 4YY 0.00088 -0.00023 -0.00016 -0.00012 -0.00005 167 4ZZ -0.00023 0.00030 0.00004 0.00017 0.00001 168 4XY 0.00016 -0.00004 -0.00043 0.00001 -0.00006 169 4XZ -0.00012 0.00017 -0.00001 0.00010 -0.00001 170 4YZ 0.00005 -0.00001 -0.00006 0.00001 -0.00017 171 21 C 1S -0.00707 0.00146 0.00478 -0.00072 0.00109 172 2S 0.01324 -0.00268 -0.00902 0.00063 -0.00218 173 2PX -0.01503 0.00327 0.00117 0.00111 0.00149 174 2PY 0.01036 -0.00276 -0.00632 -0.00043 0.00046 175 2PZ -0.00494 0.00639 0.00327 0.00699 -0.00679 176 3S 0.00995 -0.00061 -0.00667 -0.00039 -0.00166 177 3PX -0.00460 0.00084 -0.00074 0.00116 0.00140 178 3PY 0.00088 -0.00006 -0.00320 -0.00090 -0.00068 179 3PZ -0.00198 0.00090 0.00251 0.00266 -0.00418 180 4XX 0.00064 -0.00056 0.00093 -0.00004 0.00001 181 4YY -0.00033 -0.00034 -0.00083 -0.00034 -0.00022 182 4ZZ -0.00056 0.00092 0.00020 0.00049 0.00038 183 4XY -0.00123 0.00065 0.00007 -0.00026 0.00008 184 4XZ 0.00071 0.00050 -0.00009 0.00035 0.00059 185 4YZ -0.00036 -0.00039 0.00046 0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 -0.00129 0.00491 -0.00201 187 2S -0.00212 0.00625 -0.00065 0.00411 0.00132 188 23 H 1S -0.00056 -0.00300 -0.00115 -0.00171 0.00049 189 2S -0.00325 -0.00390 0.00318 -0.00187 -0.00198 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.17780 0.50274 158 2PX -0.00636 0.01603 0.61893 159 2PY 0.03934 -0.07420 -0.05183 0.66749 160 2PZ -0.01473 0.02195 -0.12923 -0.00024 0.74389 161 3S -0.24634 0.59440 0.01670 -0.21224 0.11209 162 3PX -0.00455 0.01074 0.37211 -0.06148 -0.14988 163 3PY 0.02576 -0.04951 -0.05984 0.42594 -0.00054 164 3PZ -0.01066 0.01633 -0.13510 -0.00842 0.49385 165 4XX -0.01619 -0.00080 -0.00625 -0.00495 0.00255 166 4YY -0.01262 -0.00841 -0.00035 0.04101 0.00096 167 4ZZ -0.01277 -0.00781 0.00492 -0.00627 -0.01860 168 4XY -0.00166 0.00377 0.02715 -0.00461 -0.00501 169 4XZ -0.00340 0.00727 -0.00843 0.00122 -0.00375 170 4YZ -0.00109 0.00217 -0.00342 -0.00832 0.02954 171 21 C 1S 0.00368 -0.00672 -0.03470 -0.05992 -0.01056 172 2S -0.00203 0.00297 0.07271 0.13212 0.01808 173 2PX 0.02027 -0.04948 -0.09687 -0.18918 -0.03500 174 2PY 0.02801 -0.06706 -0.17471 -0.22061 -0.06339 175 2PZ 0.00807 -0.01881 -0.03594 -0.06964 -0.01037 176 3S 0.02965 -0.07504 0.04357 0.09851 0.00492 177 3PX -0.00241 0.00617 -0.01034 -0.06250 -0.04481 178 3PY 0.00259 -0.00242 -0.07793 -0.01594 -0.01981 179 3PZ -0.00277 0.00520 -0.04616 -0.02574 0.04519 180 4XX 0.00099 -0.00186 -0.02081 0.00948 0.01054 181 4YY -0.00619 0.01488 0.02163 -0.00439 0.00454 182 4ZZ 0.00363 -0.00782 -0.00450 -0.00733 -0.01650 183 4XY -0.00596 0.01406 0.00416 0.02790 0.01233 184 4XZ -0.00064 0.00192 0.00781 0.00848 -0.01795 185 4YZ -0.00161 0.00409 0.01289 0.00887 -0.02081 186 22 H 1S 0.01123 -0.02517 0.00185 -0.01430 -0.06397 187 2S 0.00725 -0.01491 0.02330 -0.03433 -0.11727 188 23 H 1S 0.00801 -0.02061 -0.06404 -0.01287 0.05215 189 2S 0.00100 -0.00591 -0.12383 -0.03428 0.13124 161 162 163 164 165 161 3S 0.76068 162 3PX 0.01069 0.23556 163 3PY -0.13519 -0.05352 0.27449 164 3PZ 0.07652 -0.12927 -0.00435 0.33563 165 4XX -0.00067 -0.00334 -0.00251 0.00185 0.00074 166 4YY -0.01783 -0.00225 0.02579 -0.00021 -0.00028 167 4ZZ -0.01080 0.00471 -0.00415 -0.01187 0.00002 168 4XY 0.00352 0.01606 -0.00408 -0.00536 -0.00009 169 4XZ 0.00701 -0.00438 0.00132 -0.00179 0.00011 170 4YZ 0.00677 -0.00422 -0.00517 0.01899 0.00027 171 21 C 1S 0.01957 -0.01125 -0.03577 -0.00085 -0.00075 172 2S -0.05250 0.02666 0.07755 -0.00023 0.00110 173 2PX -0.03486 -0.05639 -0.11134 -0.00520 0.00914 174 2PY -0.03409 -0.07987 -0.13354 -0.02263 0.00066 175 2PZ -0.01699 -0.00577 -0.03805 -0.02126 -0.00076 176 3S -0.13434 0.01208 0.05908 -0.00684 0.00253 177 3PX 0.01247 -0.00013 -0.03572 -0.02734 0.00327 178 3PY 0.00764 -0.04104 -0.00585 -0.00586 -0.00023 179 3PZ 0.01192 -0.02741 -0.01361 0.02750 0.00008 180 4XX -0.00485 -0.01459 0.00613 0.00906 0.00018 181 4YY 0.02277 0.01356 -0.00340 0.00147 -0.00055 182 4ZZ -0.01118 -0.00074 -0.00409 -0.01071 0.00023 183 4XY 0.01300 -0.00047 0.01782 0.00718 -0.00004 184 4XZ -0.00159 0.00694 0.00506 -0.01304 -0.00057 185 4YZ 0.00067 0.00860 0.00511 -0.01492 -0.00022 186 22 H 1S -0.05213 0.01063 -0.00658 -0.05254 0.00087 187 2S -0.03215 0.03140 -0.02008 -0.08475 -0.00049 188 23 H 1S -0.03252 -0.05656 -0.00786 0.04855 0.00535 189 2S 0.00354 -0.09829 -0.02123 0.10793 0.00406 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00029 0.00115 168 4XY -0.00013 0.00025 0.00154 169 4XZ -0.00005 0.00011 -0.00035 0.00055 170 4YZ -0.00043 -0.00061 0.00006 -0.00011 0.00156 171 21 C 1S -0.00707 0.00146 -0.00478 -0.00072 -0.00109 172 2S 0.01324 -0.00268 0.00902 0.00063 0.00218 173 2PX -0.01503 0.00327 -0.00117 0.00111 -0.00149 174 2PY -0.01035 0.00276 -0.00632 0.00043 0.00046 175 2PZ -0.00494 0.00639 -0.00327 0.00699 0.00679 176 3S 0.00995 -0.00061 0.00667 -0.00039 0.00166 177 3PX -0.00460 0.00084 0.00074 0.00116 -0.00140 178 3PY -0.00088 0.00006 -0.00320 0.00090 -0.00068 179 3PZ -0.00198 0.00090 -0.00251 0.00266 0.00418 180 4XX 0.00064 -0.00056 -0.00093 -0.00004 -0.00001 181 4YY -0.00033 -0.00034 0.00083 -0.00034 0.00022 182 4ZZ -0.00056 0.00092 -0.00020 0.00049 -0.00038 183 4XY 0.00123 -0.00065 0.00007 0.00026 0.00008 184 4XZ 0.00071 0.00050 0.00009 0.00035 -0.00059 185 4YZ 0.00036 0.00039 0.00046 -0.00001 -0.00096 186 22 H 1S 0.00015 0.00490 0.00129 0.00491 0.00201 187 2S -0.00212 0.00625 0.00065 0.00411 -0.00132 188 23 H 1S -0.00056 -0.00300 0.00115 -0.00171 -0.00049 189 2S -0.00325 -0.00390 -0.00318 -0.00187 0.00198 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.06565 0.34507 173 2PX -0.01935 0.03141 0.38992 174 2PY 0.00000 0.00000 0.00000 0.29478 175 2PZ -0.00691 0.01464 -0.02504 0.00000 0.46072 176 3S -0.14934 0.26010 0.06913 0.00000 0.01022 177 3PX -0.01725 0.03492 0.12989 0.00000 0.00345 178 3PY 0.00000 0.00000 0.00000 0.07132 0.00000 179 3PZ -0.00162 0.00465 -0.00310 0.00000 0.16103 180 4XX -0.01697 -0.00181 0.00430 0.00000 -0.01505 181 4YY -0.01319 -0.01006 -0.02120 0.00000 -0.00792 182 4ZZ -0.01826 0.00097 0.01464 0.00000 0.02224 183 4XY 0.00000 0.00000 0.00000 -0.02764 0.00000 184 4XZ 0.00017 0.00018 -0.01750 0.00000 0.01528 185 4YZ 0.00000 0.00000 0.00000 -0.01018 0.00000 186 22 H 1S -0.06049 0.12724 0.04994 0.00000 0.27569 187 2S -0.01310 0.03867 0.02095 0.00000 0.22749 188 23 H 1S -0.05869 0.11885 0.21466 0.00000 -0.17356 189 2S -0.00827 0.02349 0.17720 0.00000 -0.16448 176 177 178 179 180 176 3S 0.23162 177 3PX 0.03445 0.05548 178 3PY 0.00000 0.00000 0.02776 179 3PZ -0.00045 -0.00132 0.00000 0.06559 180 4XX 0.00000 -0.00078 0.00000 -0.00236 0.00243 181 4YY -0.01252 -0.00632 0.00000 -0.00359 -0.00114 182 4ZZ 0.00474 0.00611 0.00000 0.00601 -0.00063 183 4XY 0.00000 0.00000 -0.00411 0.00000 0.00000 184 4XZ -0.00242 -0.00337 0.00000 0.00255 -0.00114 185 4YZ 0.00000 0.00000 -0.00225 0.00000 0.00000 186 22 H 1S 0.10522 0.03672 0.00000 0.08871 -0.01010 187 2S 0.03140 0.02455 0.00000 0.06330 -0.01137 188 23 H 1S 0.11411 0.06668 0.00000 -0.04680 0.01188 189 2S 0.03153 0.03658 0.00000 -0.02964 0.01581 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00161 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ 0.00048 0.00084 0.00000 0.00234 185 4YZ 0.00000 0.00000 0.00055 0.00000 0.00183 186 22 H 1S -0.01175 0.01845 0.00000 0.00997 0.00000 187 2S -0.00629 0.01677 0.00000 0.01244 0.00000 188 23 H 1S -0.01320 -0.00198 0.00000 -0.01732 0.00000 189 2S -0.01024 -0.00599 0.00000 -0.01984 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.16996 0.15548 188 23 H 1S -0.04284 -0.07926 0.22403 189 2S -0.08780 -0.11044 0.19017 0.21156 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05282 2 2S -0.01370 0.32755 3 2PX 0.00000 0.00000 0.35515 4 2PY 0.00000 0.00000 0.00000 0.41443 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.40211 6 3S -0.02917 0.19680 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 10 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 12 4ZZ -0.00141 -0.00118 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00060 -0.00008 -0.00064 -0.00230 17 2S -0.00055 0.01175 0.00109 0.00958 0.03309 18 2PX -0.00010 0.00159 0.01557 0.00035 0.00939 19 2PY -0.00069 0.00979 -0.00035 -0.00036 0.02653 20 2PZ -0.00217 0.03226 0.01190 0.02709 0.03732 21 3S -0.00073 0.01369 0.00012 0.00626 0.03439 22 3PX 0.00003 -0.00012 0.02857 -0.00001 0.00427 23 3PY -0.00067 0.00768 -0.00075 -0.00083 0.01065 24 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 25 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 26 4YY 0.00002 -0.00045 -0.00001 -0.00025 -0.00035 27 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 28 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 29 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 30 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 33 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 34 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 35 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 36 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 37 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 38 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 39 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 42 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 43 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 46 4 C 1S 0.00000 -0.00046 0.00000 -0.00253 0.00000 47 2S -0.00046 0.00935 0.00000 0.03966 0.00000 48 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 49 2PY -0.00253 0.03966 0.00000 0.09673 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00347 51 3S -0.00031 0.01099 0.00000 0.03106 0.00000 52 3PX 0.00000 0.00000 0.02443 0.00000 0.00000 53 3PY -0.00167 0.02306 0.00000 0.01798 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01021 55 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 56 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 57 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 58 4XY 0.00000 0.00000 0.00204 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00201 61 5 H 1S -0.00201 0.03151 0.01630 0.02420 0.05811 62 2S -0.00121 0.01248 0.01123 0.01527 0.03818 63 6 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 64 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 67 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 70 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 71 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 72 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 73 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 87 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 88 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 89 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 90 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00002 0.00001 0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00013 0.00000 0.00052 0.00003 101 12 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 102 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 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 0.00001 0.00001 -0.00002 107 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 108 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 109 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 110 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 111 3PZ 0.00001 -0.00023 0.00000 -0.00044 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 124 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 127 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 128 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 129 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 130 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00014 0.00018 0.00002 0.00021 139 18 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 140 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 147 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 148 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 149 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00004 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.23665 7 3PX 0.00000 0.14682 8 3PY 0.00000 0.00000 0.05806 9 3PZ 0.00000 0.00000 0.00000 0.05819 10 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 11 4YY -0.00177 0.00000 0.00000 0.00000 0.00004 12 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00008 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00057 0.00019 -0.00040 -0.00061 0.00001 17 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 18 2PX 0.00073 0.02581 -0.00025 0.00447 0.00004 19 2PY 0.01080 -0.00098 0.00130 0.00875 -0.00019 20 2PZ 0.01332 0.00536 0.01498 0.00074 -0.00062 21 3S -0.01157 -0.00246 0.00205 0.01608 -0.00084 22 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 23 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 24 3PZ 0.00210 0.00505 0.01102 0.00065 -0.00018 25 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 26 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 27 4ZZ 0.00253 0.00049 0.00106 -0.00076 -0.00002 28 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 29 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 30 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 31 3 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 32 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 33 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 34 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 35 2PZ 0.00148 0.00004 0.00101 0.00049 0.00000 36 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 37 3PX -0.00079 -0.00495 -0.00136 -0.00076 0.00001 38 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 39 3PZ 0.00329 -0.00048 0.00197 -0.00058 -0.00001 40 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 41 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 42 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 43 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 44 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 45 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 46 4 C 1S -0.00031 0.00000 -0.00167 0.00000 0.00000 47 2S 0.01099 0.00000 0.02306 0.00000 -0.00038 48 2PX 0.00000 0.02443 0.00000 0.00000 0.00000 49 2PY 0.03106 0.00000 0.01798 0.00000 -0.00084 50 2PZ 0.00000 0.00000 0.00000 0.01021 0.00000 51 3S -0.00467 0.00000 0.01031 0.00000 -0.00083 52 3PX 0.00000 0.04128 0.00000 0.00000 0.00000 53 3PY 0.01031 0.00000 0.00190 0.00000 -0.00069 54 3PZ 0.00000 0.00000 0.00000 0.01004 0.00000 55 4XX -0.00083 0.00000 -0.00069 0.00000 0.00002 56 4YY 0.00381 0.00000 0.00115 0.00000 -0.00006 57 4ZZ -0.00199 0.00000 -0.00204 0.00000 0.00001 58 4XY 0.00000 0.00130 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00046 0.00000 61 5 H 1S 0.04222 0.00788 0.00986 0.02403 -0.00036 62 2S 0.03625 0.00864 0.00743 0.01857 0.00032 63 6 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 64 2S -0.01645 -0.00018 -0.01333 0.00033 0.00010 65 7 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 66 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 67 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 68 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 69 2PZ 0.00011 -0.00063 0.00000 -0.00069 0.00000 70 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 71 3PX 0.00174 -0.00124 0.00000 -0.00234 0.00000 72 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 73 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 74 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 75 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 76 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 77 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 78 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 79 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 80 8 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 81 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 82 9 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 83 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 84 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 85 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 86 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 87 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 88 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 89 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 90 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 91 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 92 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 93 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 94 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 95 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 96 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 97 10 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 98 2S 0.00014 0.00029 0.00024 0.00042 0.00000 99 11 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 100 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 101 12 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 102 2S -0.01341 0.00029 -0.00224 -0.00516 0.00000 103 13 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 104 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 105 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 106 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 107 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 108 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 109 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 110 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 111 3PZ -0.00310 -0.00033 -0.00223 -0.00045 0.00002 112 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 113 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 114 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 115 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 116 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 118 14 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 119 2S 0.00032 0.00000 0.00031 0.00023 0.00000 120 15 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 121 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 122 16 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 123 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 124 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 125 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 126 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 127 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 128 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 129 3PY 0.00007 0.00009 0.00106 0.00000 0.00000 130 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 131 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 132 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 133 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 136 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 137 17 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 138 2S 0.00085 0.00129 0.00040 0.00019 0.00000 139 18 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 140 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 143 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 144 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 145 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 146 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 147 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 148 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 149 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 150 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 151 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 152 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 0.00000 0.00001 0.00000 158 2PX 0.00001 0.00006 0.00001 0.00003 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 160 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 161 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 162 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 163 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 164 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 165 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 11 12 13 14 15 11 4YY 0.00115 12 4ZZ -0.00018 0.00110 13 4XY 0.00000 0.00000 0.00077 14 4XZ 0.00000 0.00000 0.00000 0.00070 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 16 2 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 17 2S -0.00045 0.00170 0.00010 0.00017 0.00145 18 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 19 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 20 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 21 3S -0.00065 0.00204 0.00005 0.00000 0.00074 22 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 23 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 24 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 25 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 26 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 27 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 28 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 29 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 30 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00000 0.00000 0.00003 33 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 34 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 35 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 36 3S 0.00012 0.00003 0.00000 0.00000 0.00022 37 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 38 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 39 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 47 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00204 0.00000 0.00000 49 2PY 0.00229 -0.00133 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00201 51 3S 0.00381 -0.00199 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00130 0.00000 0.00000 53 3PY 0.00115 -0.00204 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 55 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 56 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 57 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00009 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00025 61 5 H 1S -0.00080 0.00180 0.00071 0.00150 0.00268 62 2S -0.00130 0.00240 0.00016 0.00026 0.00061 63 6 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 64 2S -0.00017 0.00015 0.00009 0.00000 0.00029 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 70 3S -0.00002 0.00006 0.00000 0.00002 0.00000 71 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 72 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 73 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00001 0.00000 0.00000 0.00000 0.00001 88 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 89 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 90 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 101 12 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 102 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 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 0.00003 -0.00003 -0.00002 0.00001 -0.00001 109 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 110 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 111 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00001 0.00000 124 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 127 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 128 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 129 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 130 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05493 17 2S -0.01338 0.32600 18 2PX 0.00000 0.00000 0.34895 19 2PY 0.00000 0.00000 0.00000 0.41139 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39186 21 3S -0.03626 0.23449 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11484 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07561 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 25 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 26 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 27 4ZZ -0.00109 -0.00530 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00002 0.00000 -0.00006 0.00000 33 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 34 2PY 0.00000 -0.00006 0.00000 -0.00019 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 36 3S 0.00007 -0.00081 0.00000 -0.00121 0.00000 37 3PX 0.00000 0.00000 -0.00162 0.00000 0.00000 38 3PY 0.00010 -0.00055 0.00000 0.00107 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00080 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00009 0.00000 -0.00024 -0.00016 48 2PX 0.00000 -0.00002 -0.00004 -0.00002 -0.00002 49 2PY 0.00000 -0.00030 0.00000 -0.00052 -0.00036 50 2PZ 0.00000 -0.00005 -0.00001 -0.00005 -0.00005 51 3S -0.00001 -0.00108 -0.00004 -0.00519 0.00148 52 3PX 0.00000 -0.00010 -0.00102 0.00000 0.00004 53 3PY 0.00010 -0.00226 -0.00028 -0.00558 0.00101 54 3PZ -0.00009 0.00033 -0.00020 0.00027 0.00049 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00002 0.00001 0.00006 0.00003 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 58 4XY 0.00000 0.00000 0.00002 0.00000 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00003 0.00001 0.00008 0.00003 61 5 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 62 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 67 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 68 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 69 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 70 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 71 3PX 0.00009 -0.00126 0.00615 0.00128 0.00484 72 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 73 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 74 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 75 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 77 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 78 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 79 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 80 8 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 81 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00193 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 88 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 89 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 90 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00001 0.00005 0.00004 0.00005 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00002 0.00000 0.00006 0.00000 101 12 H 1S -0.00197 0.03104 0.00168 0.09663 0.00025 102 2S -0.00122 0.01265 0.00087 0.06397 -0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 105 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 106 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 107 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 108 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 109 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 110 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 111 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00008 0.00000 0.00015 0.00016 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00006 0.00021 0.00010 0.00001 122 16 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 123 2S -0.00020 0.00515 0.00949 0.00422 0.01170 124 2PX -0.00064 0.01324 0.00745 0.00782 0.02214 125 2PY -0.00019 0.00380 0.00741 -0.00061 0.00603 126 2PZ -0.00062 0.01221 0.01972 0.00705 0.00976 127 3S 0.00028 0.00640 0.00840 0.01039 0.01788 128 3PX -0.00067 0.01063 -0.00107 0.00493 0.01371 129 3PY -0.00022 0.00175 0.00521 0.00043 0.00356 130 3PZ -0.00061 0.01010 0.01285 0.00454 -0.00081 131 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 132 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 133 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 134 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 135 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 136 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 137 17 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 138 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00843 139 18 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 140 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 147 3PX 0.00000 -0.00021 -0.00135 -0.00002 -0.00006 148 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 149 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 150 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.29353 22 3PX 0.00000 0.13459 23 3PY 0.00000 0.00000 0.05435 24 3PZ 0.00000 0.00000 0.00000 0.08688 25 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 26 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 27 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00007 0.00000 0.00010 0.00000 0.00000 32 2S -0.00081 0.00000 -0.00055 0.00000 0.00000 33 2PX 0.00000 -0.00162 0.00000 0.00000 0.00000 34 2PY -0.00121 0.00000 0.00107 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 -0.00080 0.00000 36 3S -0.00459 0.00000 -0.00156 0.00000 0.00000 37 3PX 0.00000 -0.00866 0.00000 0.00000 0.00000 38 3PY -0.00156 0.00000 0.00452 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00320 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00002 0.00000 -0.00003 0.00000 0.00000 42 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 43 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00000 46 4 C 1S 0.00005 0.00000 0.00007 0.00007 0.00000 47 2S -0.00115 -0.00001 -0.00138 -0.00140 0.00000 48 2PX -0.00026 -0.00115 -0.00035 -0.00034 0.00000 49 2PY -0.00152 -0.00027 0.00058 -0.00242 0.00000 50 2PZ -0.00166 -0.00016 -0.00015 -0.00021 0.00000 51 3S -0.00123 -0.00079 -0.00657 0.00329 -0.00007 52 3PX -0.00022 -0.00494 -0.00034 -0.00048 0.00000 53 3PY -0.00338 -0.00136 -0.00205 0.00197 -0.00017 54 3PZ -0.00104 -0.00076 0.00089 -0.00058 -0.00006 55 4XX 0.00003 0.00001 0.00000 -0.00001 0.00000 56 4YY 0.00012 0.00003 0.00017 -0.00003 0.00000 57 4ZZ 0.00003 -0.00003 0.00007 0.00011 0.00000 58 4XY 0.00000 0.00022 -0.00001 0.00006 0.00000 59 4XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 60 4YZ 0.00022 0.00003 0.00021 0.00003 0.00000 61 5 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 62 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 63 6 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 64 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 65 7 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 66 2S -0.00009 0.00035 0.00032 0.00091 0.00002 67 2PX -0.00022 0.00670 0.00053 0.00443 0.00007 68 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 69 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 70 3S 0.00281 0.00467 0.00185 0.00257 0.00019 71 3PX -0.00116 0.00921 0.00120 0.00994 0.00050 72 3PY -0.00008 0.00428 -0.00005 0.00215 0.00013 73 3PZ 0.00366 0.01035 0.00121 -0.00078 0.00022 74 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 75 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 76 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 77 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 78 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 79 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 80 8 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 81 2S -0.00506 -0.00782 -0.00004 -0.00547 -0.00003 82 9 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 83 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 84 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 85 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 86 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 87 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 88 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 89 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 90 3PZ -0.00048 -0.00121 0.00043 -0.00008 0.00003 91 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 92 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 93 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 94 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 95 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 96 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 97 10 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 98 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 99 11 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 100 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 101 12 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 102 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 103 13 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 104 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 105 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 106 2PY -0.00115 -0.00077 -0.00110 -0.00094 -0.00001 107 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 108 3S -0.00131 0.00307 -0.00621 -0.00390 -0.00008 109 3PX 0.00110 0.00056 0.00211 -0.00137 0.00000 110 3PY -0.00452 -0.00001 -0.00397 -0.00237 -0.00013 111 3PZ -0.00082 -0.00001 0.00054 0.00059 -0.00002 112 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 113 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 114 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 115 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 116 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 117 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 118 14 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 119 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 120 15 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 121 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 122 16 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 123 2S 0.00398 0.00415 0.00297 0.00604 0.00042 124 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 125 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 126 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 127 3S -0.00481 -0.00513 0.00621 0.01216 0.00131 128 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 129 3PY 0.00027 0.00442 -0.00069 0.00153 0.00037 130 3PZ 0.00943 0.00661 0.00083 -0.00343 0.00097 131 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 132 4YY -0.00033 0.00012 -0.00035 -0.00033 -0.00003 133 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 134 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 135 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 136 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 137 17 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 138 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 139 18 H 1S -0.00075 -0.00497 0.00025 -0.00047 0.00013 140 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 141 19 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 142 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 143 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 144 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 145 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 146 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 147 3PX -0.00356 -0.00698 -0.00044 -0.00073 0.00005 148 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 149 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 150 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 151 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 152 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 162 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 163 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 164 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 26 27 28 29 30 26 4YY 0.00185 27 4ZZ -0.00028 0.00134 28 4XY 0.00000 0.00000 0.00038 29 4XZ 0.00000 0.00000 0.00000 0.00090 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00002 0.00001 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 38 3PY -0.00003 -0.00002 0.00000 0.00000 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00003 -0.00001 0.00000 0.00000 0.00001 48 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 49 2PY 0.00014 -0.00002 0.00000 0.00000 0.00009 50 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 51 3S 0.00044 -0.00011 0.00000 -0.00002 0.00013 52 3PX -0.00002 0.00003 0.00005 0.00010 0.00000 53 3PY 0.00071 -0.00016 0.00000 -0.00001 0.00016 54 3PZ 0.00000 0.00000 0.00001 0.00000 0.00002 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 62 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S -0.00002 0.00001 0.00000 0.00000 0.00000 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00003 0.00000 67 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 68 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 69 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 70 3S -0.00014 0.00001 0.00002 0.00013 0.00000 71 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 72 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 73 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 81 2S -0.00001 0.00011 0.00000 0.00006 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00002 0.00000 0.00000 0.00001 0.00001 88 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 89 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 90 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 102 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00001 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 109 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 110 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 111 3PZ 0.00002 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00002 0.00000 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 122 16 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 123 2S -0.00028 0.00022 0.00037 0.00108 0.00043 124 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 125 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 126 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 127 3S -0.00156 0.00064 0.00018 0.00073 0.00027 128 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 129 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 130 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 131 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 132 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 133 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 136 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 138 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 139 18 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 140 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05494 32 2S -0.01338 0.32600 33 2PX 0.00000 0.00000 0.34895 34 2PY 0.00000 0.00000 0.00000 0.41139 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.39185 36 3S -0.03626 0.23449 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11484 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07561 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09433 40 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 41 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 42 4ZZ -0.00109 -0.00530 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00055 -0.00010 -0.00069 -0.00217 47 2S -0.00060 0.01175 0.00159 0.00980 0.03226 48 2PX -0.00008 0.00109 0.01557 -0.00035 0.01190 49 2PY -0.00064 0.00958 0.00035 -0.00036 0.02710 50 2PZ -0.00230 0.03309 0.00939 0.02653 0.03731 51 3S 0.00057 0.00549 0.00072 0.01080 0.01332 52 3PX 0.00019 -0.00087 0.02580 -0.00098 0.00536 53 3PY -0.00040 0.00362 -0.00025 0.00130 0.01498 54 3PZ -0.00061 0.01568 0.00447 0.00875 0.00074 55 4XX 0.00001 -0.00036 0.00004 -0.00019 -0.00062 56 4YY 0.00001 -0.00045 -0.00002 -0.00027 -0.00070 57 4ZZ -0.00012 0.00170 0.00041 0.00200 -0.00077 58 4XY -0.00001 0.00010 0.00035 0.00000 0.00029 59 4XZ -0.00002 0.00017 0.00110 0.00021 0.00021 60 4YZ -0.00014 0.00145 0.00028 -0.00003 0.00176 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 63 6 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 64 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 71 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 72 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 73 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00001 0.00005 0.00004 0.00005 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 84 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 85 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 86 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 87 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 88 3PX 0.00009 -0.00126 0.00615 0.00128 0.00484 89 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 90 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 91 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 92 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 93 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 94 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 95 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 96 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 97 10 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 98 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00194 99 11 H 1S -0.00197 0.03104 0.00168 0.09662 0.00025 100 2S -0.00122 0.01265 0.00088 0.06397 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00000 0.00006 0.00000 103 13 C 1S 0.00000 -0.00020 -0.00048 -0.00024 -0.00060 104 2S -0.00020 0.00515 0.00949 0.00422 0.01170 105 2PX -0.00064 0.01324 0.00746 0.00781 0.02214 106 2PY -0.00019 0.00379 0.00741 -0.00061 0.00603 107 2PZ -0.00062 0.01221 0.01972 0.00705 0.00976 108 3S 0.00028 0.00640 0.00841 0.01039 0.01788 109 3PX -0.00067 0.01063 -0.00107 0.00493 0.01371 110 3PY -0.00022 0.00175 0.00521 0.00043 0.00356 111 3PZ -0.00061 0.01010 0.01286 0.00454 -0.00081 112 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 113 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 114 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 115 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 116 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 117 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 118 14 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 119 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00842 120 15 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 121 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 124 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 125 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 126 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 127 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 128 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 129 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 130 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00008 0.00000 0.00015 0.00016 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00006 0.00021 0.00010 0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 162 3PX 0.00000 -0.00022 -0.00135 -0.00002 -0.00006 163 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 164 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 165 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.29355 37 3PX 0.00000 0.13457 38 3PY 0.00000 0.00000 0.05435 39 3PZ 0.00000 0.00000 0.00000 0.08689 40 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 41 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 42 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00073 0.00003 -0.00067 -0.00155 0.00001 47 2S 0.01369 -0.00012 0.00768 0.01812 -0.00053 48 2PX 0.00012 0.02857 -0.00075 0.00651 0.00006 49 2PY 0.00627 -0.00001 -0.00083 0.01220 -0.00020 50 2PZ 0.03439 0.00427 0.01065 0.00354 -0.00091 51 3S -0.01157 0.00067 0.00480 0.00210 -0.00040 52 3PX -0.00246 0.04679 -0.00117 0.00505 -0.00018 53 3PY 0.00205 -0.00111 0.00079 0.01102 -0.00046 54 3PZ 0.01608 0.00457 0.00413 0.00065 -0.00021 55 4XX -0.00084 -0.00011 -0.00027 -0.00018 0.00002 56 4YY -0.00065 -0.00014 -0.00054 -0.00048 -0.00001 57 4ZZ 0.00204 0.00052 0.00077 -0.00084 0.00001 58 4XY 0.00005 0.00034 0.00000 0.00009 0.00000 59 4XZ 0.00000 0.00069 0.00000 0.00003 0.00000 60 4YZ 0.00074 0.00003 0.00005 0.00010 -0.00005 61 5 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 62 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 63 6 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 64 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 66 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 67 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 68 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 69 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 70 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 71 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 72 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 73 3PZ -0.00048 -0.00121 0.00043 -0.00008 0.00003 74 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 75 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 77 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 78 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 79 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 80 8 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 81 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 82 9 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 83 2S -0.00009 0.00035 0.00032 0.00091 0.00002 84 2PX -0.00022 0.00670 0.00053 0.00443 0.00007 85 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 86 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 87 3S 0.00281 0.00466 0.00185 0.00257 0.00019 88 3PX -0.00116 0.00920 0.00120 0.00994 0.00050 89 3PY -0.00008 0.00427 -0.00005 0.00215 0.00013 90 3PZ 0.00367 0.01035 0.00121 -0.00078 0.00022 91 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 92 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 93 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 94 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 95 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 96 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 97 10 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 98 2S -0.00506 -0.00782 -0.00004 -0.00548 -0.00003 99 11 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 100 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 101 12 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 102 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 103 13 C 1S 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 104 2S 0.00399 0.00415 0.00297 0.00604 0.00042 105 2PX 0.01012 -0.00083 0.00089 0.01048 -0.00061 106 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 107 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 108 3S -0.00481 -0.00513 0.00621 0.01216 0.00131 109 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 110 3PY 0.00027 0.00442 -0.00069 0.00153 0.00037 111 3PZ 0.00942 0.00661 0.00083 -0.00343 0.00097 112 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 113 4YY -0.00033 0.00012 -0.00035 -0.00033 -0.00003 114 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 115 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 116 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 117 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 118 14 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 119 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 120 15 H 1S -0.00075 -0.00497 0.00025 -0.00047 0.00013 121 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 122 16 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 123 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 124 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 125 2PY -0.00115 -0.00077 -0.00109 -0.00094 -0.00001 126 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 127 3S -0.00131 0.00307 -0.00620 -0.00390 -0.00008 128 3PX 0.00110 0.00056 0.00211 -0.00137 0.00000 129 3PY -0.00452 -0.00001 -0.00397 -0.00237 -0.00013 130 3PZ -0.00082 -0.00002 0.00054 0.00059 -0.00002 131 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 132 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 133 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 134 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 135 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 136 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 137 17 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 138 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 139 18 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 140 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 143 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 147 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 148 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 149 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 158 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 159 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 160 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 161 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 162 3PX -0.00356 -0.00698 -0.00044 -0.00073 0.00005 163 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 164 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 165 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 166 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 167 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 169 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00001 0.00000 0.00000 0.00000 173 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 174 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00004 0.00019 0.00001 0.00001 0.00000 177 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 178 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 179 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 180 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00009 0.00008 0.00007 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 41 42 43 44 45 41 4YY 0.00185 42 4ZZ -0.00028 0.00134 43 4XY 0.00000 0.00000 0.00038 44 4XZ 0.00000 0.00000 0.00000 0.00090 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 46 4 C 1S 0.00002 -0.00014 -0.00001 -0.00002 -0.00013 47 2S -0.00045 0.00189 0.00009 0.00017 0.00141 48 2PX -0.00001 0.00050 0.00029 0.00134 0.00027 49 2PY -0.00025 0.00199 0.00000 0.00012 -0.00004 50 2PZ -0.00035 -0.00092 0.00026 0.00019 0.00193 51 3S -0.00145 0.00253 0.00003 0.00004 0.00037 52 3PX -0.00002 0.00049 0.00021 0.00103 0.00002 53 3PY -0.00041 0.00106 -0.00001 -0.00002 -0.00001 54 3PZ -0.00028 -0.00076 0.00004 0.00003 0.00005 55 4XX 0.00000 -0.00002 0.00000 0.00000 -0.00004 56 4YY 0.00004 -0.00012 0.00000 -0.00002 0.00000 57 4ZZ -0.00017 0.00004 0.00000 0.00004 -0.00008 58 4XY 0.00000 -0.00002 0.00000 -0.00001 0.00000 59 4XZ -0.00004 0.00005 0.00002 -0.00003 -0.00001 60 4YZ 0.00001 -0.00009 0.00000 -0.00003 0.00002 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S -0.00002 0.00001 0.00000 0.00000 0.00000 63 6 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 64 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00002 0.00000 0.00000 0.00001 0.00001 71 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 72 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 73 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00003 0.00000 84 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 85 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 86 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 87 3S -0.00014 0.00001 0.00002 0.00013 0.00000 88 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 89 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 90 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 98 2S -0.00001 0.00011 0.00000 0.00006 0.00000 99 11 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 100 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 104 2S -0.00028 0.00022 0.00037 0.00108 0.00043 105 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 106 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 107 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 108 3S -0.00156 0.00064 0.00018 0.00073 0.00027 109 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 110 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 111 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 112 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 113 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 114 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 117 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 119 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 120 15 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 121 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00001 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 128 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 129 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 130 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00002 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05282 47 2S -0.01370 0.32755 48 2PX 0.00000 0.00000 0.35515 49 2PY 0.00000 0.00000 0.00000 0.41443 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.40211 51 3S -0.02917 0.19680 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 55 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 56 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 57 4ZZ -0.00141 -0.00118 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 62 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 63 6 H 1S -0.00201 0.03151 0.01630 0.02420 0.05811 64 2S -0.00121 0.01248 0.01124 0.01527 0.03818 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 70 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 71 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 72 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 73 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00002 0.00001 0.00001 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 84 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 87 3S 0.00001 0.00008 -0.00034 0.00000 0.00017 88 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 89 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 90 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 99 11 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 100 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00000 0.00052 0.00003 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 105 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 108 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 109 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 110 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 111 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 112 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00014 0.00018 0.00002 0.00021 120 15 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 121 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 125 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 126 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 127 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 128 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 129 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 130 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 162 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 163 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 164 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 178 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00004 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.23666 52 3PX 0.00000 0.14682 53 3PY 0.00000 0.00000 0.05806 54 3PZ 0.00000 0.00000 0.00000 0.05819 55 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 56 4YY -0.00177 0.00000 0.00000 0.00000 0.00004 57 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00008 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 62 2S -0.01645 -0.00017 -0.01333 0.00033 0.00010 63 6 H 1S 0.04222 0.00788 0.00986 0.02403 -0.00036 64 2S 0.03625 0.00865 0.00742 0.01857 0.00032 65 7 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 66 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 67 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 68 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 69 2PZ -0.00011 -0.00123 -0.00039 -0.00084 0.00000 70 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 71 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 72 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 73 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 74 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 75 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 76 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 77 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 78 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 79 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 80 8 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 81 2S 0.00014 0.00029 0.00024 0.00042 0.00000 82 9 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 83 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 84 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 85 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 86 2PZ 0.00011 -0.00063 0.00000 -0.00069 0.00000 87 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 88 3PX 0.00174 -0.00124 0.00000 -0.00234 0.00000 89 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 90 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 91 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 92 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 93 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 94 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 95 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 96 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 97 10 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 98 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 99 11 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 100 2S -0.01341 0.00028 -0.00224 -0.00516 0.00000 101 12 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 102 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 103 13 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 104 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 105 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 106 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 107 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 108 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 109 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 110 3PY 0.00007 0.00010 0.00106 0.00000 0.00000 111 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 112 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 113 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 114 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 117 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 118 14 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 119 2S 0.00085 0.00129 0.00040 0.00019 0.00000 120 15 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 121 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 122 16 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 123 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 124 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 125 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 126 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 127 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 128 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 129 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 130 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 131 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 132 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 133 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 134 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 135 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 137 17 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 138 2S 0.00032 0.00000 0.00031 0.00023 0.00000 139 18 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 140 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00001 0.00000 0.00001 0.00000 143 2PX 0.00001 0.00006 0.00001 0.00004 0.00000 144 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 145 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 146 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 147 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 148 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 149 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 150 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00004 -0.00009 0.00000 -0.00004 0.00000 158 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 159 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 160 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 161 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 162 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 163 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 164 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 165 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 166 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 167 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 173 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 176 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 177 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 178 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 179 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 187 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 56 57 58 59 60 56 4YY 0.00115 57 4ZZ -0.00018 0.00110 58 4XY 0.00000 0.00000 0.00077 59 4XZ 0.00000 0.00000 0.00000 0.00070 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 61 5 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 62 2S -0.00017 0.00015 0.00009 0.00000 0.00029 63 6 H 1S -0.00081 0.00181 0.00071 0.00150 0.00268 64 2S -0.00130 0.00240 0.00016 0.00026 0.00061 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S 0.00001 0.00000 0.00000 0.00000 0.00001 71 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 72 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 73 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00000 0.00000 0.00000 0.00000 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 87 3S -0.00002 0.00006 0.00000 0.00002 0.00000 88 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 89 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 90 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 100 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 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 0.00001 0.00000 0.00001 0.00000 105 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 108 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 109 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 110 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 111 3PZ -0.00013 0.00024 0.00000 0.00016 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 128 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 129 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 130 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 H 1S 0.21724 62 2S 0.11526 0.16429 63 6 H 1S -0.00001 -0.00090 0.21724 64 2S -0.00090 -0.00524 0.11525 0.16429 65 7 C 1S 0.00000 0.00000 0.00000 0.00000 2.05261 66 2S 0.00000 0.00001 0.00000 0.00000 -0.01388 67 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 68 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00000 70 3S -0.00001 -0.00029 0.00000 0.00012 -0.03169 71 3PX 0.00003 0.00045 0.00000 -0.00010 0.00000 72 3PY 0.00001 0.00014 0.00000 0.00017 0.00000 73 3PZ -0.00004 -0.00034 0.00001 0.00006 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 -0.00098 75 4YY 0.00000 0.00000 0.00000 0.00000 -0.00136 76 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00119 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00228 81 2S 0.00000 -0.00010 0.00000 0.00001 -0.00156 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 0.00000 0.00001 -0.00066 84 2PX 0.00000 0.00000 0.00000 0.00003 0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 -0.00298 86 2PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 87 3S 0.00000 0.00012 -0.00001 -0.00029 0.00022 88 3PX 0.00000 -0.00010 0.00003 0.00045 0.00000 89 3PY 0.00000 0.00017 0.00001 0.00014 -0.00027 90 3PZ 0.00001 0.00006 -0.00004 -0.00034 0.00000 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY 0.00000 0.00000 0.00000 0.00000 -0.00028 93 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00001 0.00000 -0.00010 0.00025 99 11 H 1S 0.00000 0.00000 -0.00002 -0.00105 0.00000 100 2S 0.00000 -0.00014 -0.00108 -0.00576 0.00000 101 12 H 1S -0.00002 -0.00105 0.00000 0.00000 0.00000 102 2S -0.00108 -0.00576 0.00000 -0.00014 0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00008 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00013 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00027 0.00000 108 3S 0.00000 0.00001 0.00008 0.00142 0.00000 109 3PX 0.00000 -0.00003 0.00010 0.00127 0.00000 110 3PY 0.00000 -0.00001 0.00002 0.00016 0.00000 111 3PZ 0.00000 -0.00009 0.00012 0.00196 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 -0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00002 0.00000 -0.00018 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 0.00000 -0.00006 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00008 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00013 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00027 0.00000 0.00000 0.00000 127 3S 0.00008 0.00142 0.00000 0.00001 0.00002 128 3PX 0.00010 0.00127 0.00000 -0.00003 0.00005 129 3PY 0.00002 0.00016 0.00000 -0.00001 0.00000 130 3PZ 0.00012 0.00196 0.00000 -0.00009 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00018 0.00000 0.00002 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 143 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 144 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 145 2PZ 0.00000 0.00003 0.00000 0.00000 -0.00013 146 3S 0.00000 0.00019 0.00000 -0.00001 0.00037 147 3PX -0.00001 0.00014 0.00000 0.00000 -0.00205 148 3PY 0.00000 0.00000 0.00000 0.00000 -0.00079 149 3PZ -0.00002 0.00013 0.00000 -0.00001 -0.00126 150 4XX 0.00000 0.00000 0.00000 0.00000 -0.00006 151 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00002 153 4XY 0.00000 0.00000 0.00000 0.00000 -0.00007 154 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00016 155 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00003 0.00000 161 3S 0.00000 -0.00001 0.00000 0.00019 -0.00001 162 3PX 0.00000 0.00000 -0.00001 0.00014 0.00003 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00012 164 3PZ 0.00000 -0.00001 -0.00002 0.00013 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 -0.00001 0.00010 177 3PX 0.00001 0.00008 0.00001 0.00008 0.00029 178 3PY 0.00000 0.00005 0.00000 0.00005 0.00003 179 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00009 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00008 0.00001 0.00008 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 2S 0.33257 67 2PX 0.00000 0.35371 68 2PY 0.00000 0.00000 0.42805 69 2PZ 0.00000 0.00000 0.00000 0.37250 70 3S 0.22153 0.00000 0.00000 0.00000 0.29972 71 3PX 0.00000 0.10356 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.06761 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.08662 0.00000 74 4XX -0.00823 0.00000 0.00000 0.00000 -0.00569 75 4YY -0.00089 0.00000 0.00000 0.00000 -0.00013 76 4ZZ -0.00395 0.00000 0.00000 0.00000 -0.00315 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.03690 0.00793 0.03847 0.05132 0.05109 81 2S 0.01879 0.00288 0.02289 0.03191 0.03020 82 9 C 1S -0.00066 0.00000 -0.00298 0.00000 0.00022 83 2S 0.01406 0.00000 0.04390 0.00000 0.00850 84 2PX 0.00000 0.01689 0.00000 0.00000 0.00000 85 2PY 0.04390 0.00000 0.10306 0.00000 0.03420 86 2PZ 0.00000 0.00000 0.00000 0.01345 0.00000 87 3S 0.00850 0.00000 0.03419 0.00000 -0.02067 88 3PX 0.00000 0.02495 0.00000 0.00000 0.00000 89 3PY 0.01059 0.00000 0.01765 0.00000 -0.00416 90 3PZ 0.00000 0.00000 0.00000 0.02001 0.00000 91 4XX -0.00058 0.00000 -0.00161 0.00000 -0.00086 92 4YY 0.00372 0.00000 0.00305 0.00000 0.00373 93 4ZZ -0.00072 0.00000 -0.00139 0.00000 -0.00221 94 4XY 0.00000 0.00216 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00225 0.00000 97 10 H 1S -0.00021 -0.00002 -0.00048 0.00001 -0.00438 98 2S -0.00404 -0.00034 -0.00663 -0.00022 -0.01600 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 100 2S 0.00001 0.00000 0.00004 0.00000 0.00040 101 12 H 1S 0.00000 -0.00001 -0.00001 0.00000 -0.00045 102 2S -0.00014 -0.00057 -0.00047 -0.00021 -0.00291 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 105 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00015 106 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 108 3S -0.00005 -0.00069 0.00006 -0.00003 -0.00107 109 3PX 0.00000 -0.00016 -0.00001 0.00000 -0.00024 110 3PY 0.00001 0.00000 -0.00002 0.00001 -0.00032 111 3PZ 0.00001 0.00003 0.00000 -0.00005 0.00008 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00002 119 2S 0.00002 0.00008 -0.00003 -0.00002 0.00031 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00001 0.00000 0.00000 0.00004 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 123 2S 0.00000 -0.00003 0.00000 0.00000 -0.00039 124 2PX -0.00002 -0.00009 0.00000 0.00000 -0.00103 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 126 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 127 3S -0.00057 -0.00076 -0.00002 -0.00003 -0.00286 128 3PX -0.00086 -0.00005 -0.00002 -0.00005 -0.00331 129 3PY 0.00001 0.00006 -0.00012 0.00000 0.00010 130 3PZ -0.00002 -0.00003 0.00000 -0.00015 -0.00013 131 4XX 0.00000 0.00002 0.00000 0.00000 0.00014 132 4YY 0.00000 0.00000 0.00000 0.00000 -0.00001 133 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00045 138 2S -0.00009 -0.00046 0.00000 0.00016 -0.00210 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 140 2S 0.00002 0.00011 0.00000 0.00001 0.00046 141 19 O 1S -0.00007 -0.00042 -0.00007 -0.00030 0.00133 142 2S 0.00123 0.00793 0.00179 0.00540 -0.02021 143 2PX 0.01163 0.01476 0.00636 0.01937 0.00349 144 2PY 0.00233 0.00492 -0.00073 0.00370 0.00289 145 2PZ 0.00563 0.02017 0.00360 0.00309 0.00684 146 3S -0.00405 0.00779 -0.00266 0.00958 -0.06296 147 3PX 0.02127 0.00872 0.00721 0.01956 0.00095 148 3PY 0.00710 0.00657 -0.00457 0.00651 0.00839 149 3PZ 0.01050 0.02145 0.00438 -0.00174 0.01610 150 4XX 0.00082 -0.00105 0.00079 0.00109 0.00153 151 4YY 0.00013 0.00047 0.00000 0.00044 0.00058 152 4ZZ 0.00024 0.00134 0.00049 -0.00045 0.00101 153 4XY 0.00081 0.00075 0.00022 0.00104 0.00017 154 4XZ 0.00148 0.00068 0.00040 0.00008 0.00042 155 4YZ 0.00045 0.00134 0.00014 0.00010 0.00017 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 157 2S -0.00003 -0.00003 -0.00007 -0.00003 0.00200 158 2PX -0.00004 0.00007 -0.00016 -0.00005 -0.00074 159 2PY -0.00017 -0.00008 -0.00034 -0.00005 -0.00427 160 2PZ 0.00001 -0.00008 -0.00013 0.00003 0.00027 161 3S -0.00010 -0.00115 0.00120 -0.00084 0.01262 162 3PX -0.00090 0.00052 -0.00165 -0.00102 -0.00356 163 3PY -0.00335 -0.00153 -0.00361 -0.00042 -0.01640 164 3PZ 0.00029 -0.00155 -0.00159 -0.00018 0.00197 165 4XX 0.00000 -0.00001 -0.00004 0.00002 0.00004 166 4YY -0.00003 -0.00001 -0.00006 0.00001 -0.00062 167 4ZZ 0.00000 0.00002 -0.00002 0.00000 -0.00011 168 4XY 0.00002 0.00002 0.00012 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 170 4YZ 0.00001 0.00001 0.00006 0.00000 -0.00001 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00007 172 2S -0.00017 -0.00052 -0.00020 0.00001 -0.00077 173 2PX -0.00050 -0.00057 -0.00023 -0.00040 -0.00349 174 2PY -0.00005 -0.00033 -0.00001 -0.00024 0.00049 175 2PZ -0.00019 -0.00046 -0.00005 0.00001 -0.00159 176 3S -0.00108 -0.00375 -0.00142 -0.00004 0.00114 177 3PX -0.00351 0.00031 -0.00101 -0.00346 -0.00871 178 3PY -0.00050 -0.00201 -0.00009 -0.00105 0.00058 179 3PZ -0.00101 -0.00140 -0.00016 0.00004 -0.00128 180 4XX 0.00003 0.00016 -0.00002 0.00008 -0.00025 181 4YY -0.00002 -0.00007 0.00000 -0.00003 -0.00017 182 4ZZ 0.00002 0.00010 -0.00001 0.00001 0.00033 183 4XY 0.00001 0.00001 0.00000 0.00002 0.00002 184 4XZ 0.00002 0.00013 0.00001 0.00003 0.00006 185 4YZ 0.00000 0.00006 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00021 187 2S 0.00018 0.00049 0.00002 0.00017 0.00178 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00005 189 2S -0.00004 0.00100 0.00005 -0.00012 -0.00222 71 72 73 74 75 71 3PX 0.12473 72 3PY 0.00000 0.05430 73 3PZ 0.00000 0.00000 0.08174 74 4XX 0.00000 0.00000 0.00000 0.00257 75 4YY 0.00000 0.00000 0.00000 -0.00022 0.00122 76 4ZZ 0.00000 0.00000 0.00000 -0.00017 -0.00012 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00330 0.01136 0.02349 -0.00138 -0.00041 81 2S -0.00079 0.00771 0.02377 -0.00261 -0.00056 82 9 C 1S 0.00000 -0.00027 0.00000 0.00000 -0.00028 83 2S 0.00000 0.01059 0.00000 -0.00058 0.00372 84 2PX 0.02495 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.01765 0.00000 -0.00161 0.00305 86 2PZ 0.00000 0.00000 0.02001 0.00000 0.00000 87 3S 0.00000 -0.00416 0.00000 -0.00086 0.00373 88 3PX 0.03516 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00000 0.00160 0.00000 -0.00173 0.00134 90 3PZ 0.00000 0.00000 0.02759 0.00000 0.00000 91 4XX 0.00000 -0.00173 0.00000 0.00004 -0.00004 92 4YY 0.00000 0.00134 0.00000 -0.00004 -0.00006 93 4ZZ 0.00000 -0.00081 0.00000 0.00000 -0.00004 94 4XY 0.00129 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00098 0.00000 0.00000 97 10 H 1S -0.00015 -0.00396 0.00001 0.00000 0.00001 98 2S -0.00044 -0.00968 0.00022 0.00021 -0.00032 99 11 H 1S 0.00000 0.00003 0.00000 0.00000 0.00000 100 2S 0.00007 0.00037 0.00002 0.00000 0.00000 101 12 H 1S -0.00066 0.00017 -0.00012 0.00000 0.00000 102 2S -0.00300 0.00034 -0.00089 -0.00003 0.00005 103 13 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 104 2S -0.00045 0.00004 -0.00001 0.00000 0.00000 105 2PX -0.00059 -0.00006 -0.00002 0.00000 0.00000 106 2PY -0.00004 -0.00001 -0.00001 0.00000 0.00000 107 2PZ 0.00003 0.00000 -0.00002 0.00000 0.00000 108 3S -0.00499 0.00095 -0.00021 -0.00001 0.00000 109 3PX -0.00061 -0.00019 -0.00001 0.00002 -0.00001 110 3PY 0.00039 -0.00007 -0.00001 0.00000 0.00000 111 3PZ 0.00016 -0.00002 -0.00026 0.00000 0.00000 112 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 113 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00001 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 H 1S 0.00001 -0.00003 0.00000 0.00000 0.00000 119 2S 0.00085 -0.00059 -0.00014 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00029 0.00001 0.00002 0.00000 0.00000 122 16 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 123 2S -0.00054 -0.00001 -0.00004 0.00000 0.00000 124 2PX -0.00093 -0.00007 -0.00012 0.00001 0.00000 125 2PY -0.00001 -0.00005 0.00000 0.00000 0.00000 126 2PZ -0.00001 0.00000 -0.00009 0.00000 0.00000 127 3S -0.00325 -0.00007 -0.00021 0.00002 0.00000 128 3PX 0.00013 -0.00011 -0.00021 0.00011 0.00001 129 3PY 0.00014 -0.00044 0.00001 0.00000 0.00000 130 3PZ -0.00007 0.00000 -0.00061 0.00001 0.00000 131 4XX 0.00044 0.00001 0.00003 0.00000 0.00000 132 4YY -0.00009 0.00000 0.00000 0.00000 0.00000 133 4ZZ -0.00011 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S -0.00048 -0.00014 0.00009 0.00000 0.00000 138 2S -0.00172 -0.00058 0.00049 -0.00004 0.00000 139 18 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 140 2S 0.00124 0.00011 0.00012 0.00000 0.00000 141 19 O 1S 0.00029 -0.00027 0.00044 -0.00004 0.00000 142 2S -0.00428 0.00287 -0.00588 0.00111 -0.00019 143 2PX 0.00051 0.00069 0.00347 -0.00088 -0.00052 144 2PY -0.00129 0.00461 0.00029 0.00079 0.00017 145 2PZ 0.00776 0.00155 -0.00120 0.00394 -0.00025 146 3S -0.01155 0.00244 -0.01076 0.00123 -0.00005 147 3PX -0.00193 -0.00011 0.00196 -0.00176 -0.00162 148 3PY -0.00310 0.01104 0.00114 0.00111 -0.00053 149 3PZ 0.00886 0.00298 -0.00697 0.00637 -0.00071 150 4XX -0.00127 0.00052 0.00104 -0.00004 -0.00001 151 4YY -0.00036 -0.00023 0.00029 0.00008 -0.00004 152 4ZZ 0.00207 0.00016 -0.00055 0.00009 0.00000 153 4XY 0.00001 0.00020 0.00006 -0.00006 0.00000 154 4XZ 0.00000 0.00004 0.00005 -0.00001 -0.00003 155 4YZ 0.00020 0.00012 0.00001 0.00018 0.00000 156 20 O 1S 0.00000 -0.00014 -0.00001 0.00000 0.00000 157 2S 0.00009 0.00147 0.00034 0.00000 0.00000 158 2PX 0.00019 -0.00020 -0.00007 0.00000 0.00001 159 2PY 0.00105 -0.00423 0.00087 0.00000 0.00002 160 2PZ -0.00124 -0.00151 -0.00029 0.00000 0.00001 161 3S -0.00127 0.00962 -0.00039 -0.00004 0.00013 162 3PX -0.00142 0.00009 -0.00098 -0.00006 0.00010 163 3PY 0.00199 -0.01059 0.00302 -0.00001 0.00038 164 3PZ -0.00482 -0.00484 -0.00248 0.00005 0.00007 165 4XX -0.00009 -0.00019 0.00016 0.00000 0.00000 166 4YY 0.00005 -0.00056 0.00015 0.00000 0.00000 167 4ZZ 0.00011 -0.00017 -0.00006 0.00000 0.00000 168 4XY 0.00001 0.00010 0.00000 0.00000 0.00001 169 4XZ 0.00000 -0.00002 -0.00001 0.00000 0.00000 170 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00001 171 21 C 1S 0.00024 0.00007 -0.00002 0.00000 0.00000 172 2S -0.00343 -0.00115 0.00097 0.00004 -0.00001 173 2PX -0.00246 -0.00025 -0.00079 0.00014 -0.00003 174 2PY -0.00178 -0.00087 -0.00083 0.00003 0.00000 175 2PZ -0.00220 0.00017 0.00003 0.00005 -0.00001 176 3S -0.00718 -0.00271 0.00296 0.00005 -0.00010 177 3PX 0.00157 0.00029 -0.00415 0.00006 -0.00021 178 3PY -0.00176 0.00005 -0.00046 -0.00002 0.00003 179 3PZ -0.00325 -0.00026 -0.00045 0.00043 -0.00006 180 4XX 0.00049 0.00008 0.00008 -0.00001 0.00000 181 4YY -0.00061 0.00004 -0.00019 0.00000 0.00000 182 4ZZ 0.00059 -0.00007 0.00004 0.00000 0.00000 183 4XY -0.00015 -0.00008 -0.00007 0.00000 0.00000 184 4XZ 0.00008 -0.00003 0.00001 0.00002 0.00000 185 4YZ 0.00010 -0.00002 0.00000 0.00001 0.00000 186 22 H 1S 0.00022 -0.00007 0.00011 0.00000 0.00000 187 2S 0.00190 -0.00023 0.00035 0.00004 0.00001 188 23 H 1S 0.00032 0.00003 0.00001 0.00000 0.00000 189 2S 0.00603 0.00084 -0.00068 -0.00023 0.00000 76 77 78 79 80 76 4ZZ 0.00177 77 4XY 0.00000 0.00157 78 4XZ 0.00000 0.00000 0.00159 79 4YZ 0.00000 0.00000 0.00000 0.00181 80 8 H 1S 0.00210 0.00064 0.00044 0.00359 0.21512 81 2S 0.00337 0.00014 0.00008 0.00064 0.10465 82 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00072 0.00000 0.00000 0.00000 -0.00021 84 2PX 0.00000 0.00216 0.00000 0.00000 -0.00002 85 2PY -0.00139 0.00000 0.00000 0.00000 -0.00048 86 2PZ 0.00000 0.00000 0.00000 0.00225 0.00001 87 3S -0.00221 0.00000 0.00000 0.00000 -0.00438 88 3PX 0.00000 0.00129 0.00000 0.00000 -0.00015 89 3PY -0.00081 0.00000 0.00000 0.00000 -0.00396 90 3PZ 0.00000 0.00000 0.00000 0.00098 0.00001 91 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 92 4YY -0.00004 0.00000 0.00000 0.00000 0.00001 93 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00001 94 4XY 0.00000 -0.00001 0.00000 0.00000 0.00001 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 -0.00018 0.00004 97 10 H 1S 0.00001 0.00001 0.00000 0.00004 0.00000 98 2S 0.00033 0.00001 0.00001 0.00022 -0.00011 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 0.00000 0.00000 0.00001 -0.00013 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 -0.00001 0.00000 0.00000 0.00002 109 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 110 3PY 0.00000 0.00001 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00000 0.00001 0.00000 -0.00035 128 3PX -0.00002 0.00000 0.00000 0.00000 -0.00019 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00006 130 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00020 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00000 0.00002 0.00000 0.00064 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S -0.00001 -0.00005 -0.00009 -0.00003 0.00000 142 2S 0.00021 0.00087 0.00166 0.00057 -0.00005 143 2PX 0.00162 0.00035 0.00279 0.00102 -0.00002 144 2PY 0.00032 0.00028 0.00123 0.00016 -0.00001 145 2PZ -0.00069 0.00138 0.00027 0.00003 -0.00014 146 3S 0.00061 0.00101 0.00119 0.00077 -0.00231 147 3PX 0.00391 -0.00001 0.00080 0.00057 0.00014 148 3PY 0.00066 0.00077 0.00085 0.00048 -0.00014 149 3PZ -0.00229 0.00089 -0.00001 0.00000 -0.00334 150 4XX 0.00005 0.00002 0.00001 -0.00002 0.00002 151 4YY 0.00003 0.00002 0.00010 0.00001 0.00000 152 4ZZ -0.00003 0.00002 -0.00002 -0.00001 0.00005 153 4XY 0.00004 0.00000 0.00011 -0.00003 0.00001 154 4XZ 0.00000 0.00003 0.00007 0.00000 0.00005 155 4YZ -0.00003 -0.00002 0.00002 0.00000 0.00001 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00001 0.00000 160 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 161 3S -0.00001 -0.00002 -0.00004 0.00002 0.00001 162 3PX 0.00010 0.00006 0.00000 0.00008 0.00002 163 3PY -0.00004 0.00008 -0.00004 0.00013 0.00003 164 3PZ -0.00003 0.00006 0.00000 -0.00001 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00002 0.00001 0.00002 0.00000 173 2PX 0.00003 0.00007 0.00008 0.00005 0.00000 174 2PY 0.00001 0.00000 -0.00001 0.00000 0.00000 175 2PZ 0.00001 0.00002 0.00002 0.00001 0.00000 176 3S 0.00006 0.00006 -0.00004 0.00007 0.00014 177 3PX 0.00050 0.00013 0.00005 0.00004 0.00027 178 3PY -0.00001 -0.00008 -0.00009 -0.00004 0.00014 179 3PZ -0.00011 0.00001 0.00000 0.00000 -0.00003 180 4XX 0.00001 0.00001 0.00002 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00007 -0.00001 -0.00002 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00009 0.00002 0.00001 -0.00001 0.00002 81 82 83 84 85 81 2S 0.14252 82 9 C 1S 0.00025 2.05261 83 2S -0.00404 -0.01388 0.33256 84 2PX -0.00034 0.00000 0.00000 0.35371 85 2PY -0.00663 0.00000 0.00000 0.00000 0.42805 86 2PZ -0.00022 0.00000 0.00000 0.00000 0.00000 87 3S -0.01600 -0.03169 0.22153 0.00000 0.00000 88 3PX -0.00044 0.00000 0.00000 0.10356 0.00000 89 3PY -0.00968 0.00000 0.00000 0.00000 0.06761 90 3PZ 0.00022 0.00000 0.00000 0.00000 0.00000 91 4XX 0.00021 -0.00098 -0.00823 0.00000 0.00000 92 4YY -0.00032 -0.00136 -0.00089 0.00000 0.00000 93 4ZZ 0.00033 -0.00119 -0.00395 0.00000 0.00000 94 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00022 0.00000 0.00000 0.00000 0.00000 97 10 H 1S -0.00011 -0.00228 0.03690 0.00793 0.03847 98 2S -0.00002 -0.00156 0.01879 0.00288 0.02289 99 11 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00001 100 2S -0.00004 0.00001 -0.00014 -0.00057 -0.00047 101 12 H 1S -0.00007 0.00000 0.00000 0.00000 0.00000 102 2S 0.00021 0.00000 0.00001 0.00000 0.00004 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00002 0.00000 0.00000 -0.00003 0.00000 105 2PX 0.00000 0.00000 -0.00002 -0.00009 0.00000 106 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 107 2PZ -0.00002 0.00000 0.00000 0.00000 0.00000 108 3S 0.00065 0.00002 -0.00057 -0.00076 -0.00002 109 3PX -0.00022 0.00005 -0.00086 -0.00006 -0.00002 110 3PY -0.00004 0.00000 0.00001 0.00006 -0.00012 111 3PZ -0.00021 0.00000 -0.00002 -0.00003 0.00000 112 4XX 0.00001 0.00000 0.00000 0.00002 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 H 1S -0.00002 0.00000 0.00000 -0.00001 0.00000 119 2S -0.00048 0.00000 -0.00009 -0.00046 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00001 0.00000 0.00002 0.00011 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00012 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00003 0.00000 0.00000 -0.00001 0.00000 125 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00017 0.00000 0.00000 0.00000 0.00000 127 3S -0.00165 0.00000 -0.00005 -0.00069 0.00006 128 3PX 0.00045 0.00000 0.00000 -0.00016 -0.00001 129 3PY 0.00004 0.00000 0.00001 0.00000 -0.00002 130 3PZ -0.00017 0.00000 0.00001 0.00003 0.00000 131 4XX -0.00009 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00001 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00081 0.00000 0.00000 0.00000 0.00000 138 2S 0.00646 0.00000 0.00002 0.00008 -0.00003 139 18 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 140 2S -0.00027 0.00000 0.00000 0.00001 0.00000 141 19 O 1S 0.00013 0.00000 0.00000 0.00000 0.00000 142 2S -0.00188 0.00000 -0.00003 -0.00003 -0.00007 143 2PX -0.00014 0.00000 -0.00004 0.00007 -0.00016 144 2PY -0.00015 0.00000 -0.00017 -0.00008 -0.00034 145 2PZ -0.00395 0.00000 0.00001 -0.00008 -0.00013 146 3S -0.01051 -0.00001 -0.00010 -0.00115 0.00120 147 3PX 0.00252 0.00003 -0.00090 0.00052 -0.00165 148 3PY -0.00045 0.00012 -0.00335 -0.00153 -0.00361 149 3PZ -0.01531 -0.00001 0.00029 -0.00155 -0.00159 150 4XX 0.00006 0.00000 0.00000 -0.00001 -0.00004 151 4YY 0.00015 0.00000 -0.00003 -0.00001 -0.00006 152 4ZZ 0.00026 0.00000 0.00000 0.00002 -0.00002 153 4XY 0.00002 0.00000 0.00002 0.00002 0.00012 154 4XZ 0.00006 0.00000 0.00000 0.00000 0.00001 155 4YZ 0.00004 0.00000 0.00001 0.00001 0.00006 156 20 O 1S 0.00000 0.00000 -0.00007 -0.00042 -0.00007 157 2S 0.00002 -0.00002 0.00123 0.00793 0.00179 158 2PX 0.00009 -0.00023 0.01163 0.01476 0.00636 159 2PY 0.00014 -0.00005 0.00233 0.00492 -0.00073 160 2PZ -0.00001 -0.00013 0.00563 0.02017 0.00360 161 3S -0.00002 0.00037 -0.00405 0.00779 -0.00266 162 3PX 0.00085 -0.00205 0.02127 0.00872 0.00721 163 3PY 0.00113 -0.00079 0.00710 0.00657 -0.00457 164 3PZ -0.00016 -0.00126 0.01049 0.02145 0.00438 165 4XX 0.00000 -0.00006 0.00082 -0.00105 0.00079 166 4YY 0.00002 -0.00001 0.00013 0.00047 0.00000 167 4ZZ 0.00000 -0.00002 0.00024 0.00134 0.00049 168 4XY 0.00000 -0.00007 0.00081 0.00075 0.00022 169 4XZ 0.00000 -0.00016 0.00148 0.00068 0.00040 170 4YZ 0.00000 -0.00005 0.00045 0.00134 0.00014 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00019 0.00000 -0.00017 -0.00052 -0.00020 173 2PX 0.00031 0.00000 -0.00050 -0.00057 -0.00023 174 2PY 0.00014 0.00000 -0.00005 -0.00033 -0.00001 175 2PZ 0.00020 0.00000 -0.00019 -0.00046 -0.00005 176 3S 0.00130 0.00010 -0.00108 -0.00375 -0.00142 177 3PX 0.00224 0.00029 -0.00351 0.00031 -0.00101 178 3PY 0.00069 0.00003 -0.00050 -0.00201 -0.00009 179 3PZ -0.00005 0.00009 -0.00101 -0.00140 -0.00016 180 4XX 0.00003 0.00000 0.00003 0.00016 -0.00002 181 4YY 0.00000 0.00000 -0.00002 -0.00007 0.00000 182 4ZZ -0.00003 0.00000 0.00002 0.00010 -0.00001 183 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 184 4XZ -0.00002 0.00000 0.00002 0.00013 0.00001 185 4YZ -0.00001 0.00000 0.00000 0.00006 0.00000 186 22 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 187 2S -0.00030 -0.00001 0.00018 0.00049 0.00002 188 23 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 189 2S 0.00068 0.00000 -0.00004 0.00100 0.00005 86 87 88 89 90 86 2PZ 0.37250 87 3S 0.00000 0.29973 88 3PX 0.00000 0.00000 0.12473 89 3PY 0.00000 0.00000 0.00000 0.05430 90 3PZ 0.08662 0.00000 0.00000 0.00000 0.08174 91 4XX 0.00000 -0.00569 0.00000 0.00000 0.00000 92 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 93 4ZZ 0.00000 -0.00315 0.00000 0.00000 0.00000 94 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.05132 0.05109 0.00330 0.01136 0.02349 98 2S 0.03191 0.03020 -0.00079 0.00771 0.02377 99 11 H 1S 0.00000 -0.00045 -0.00066 0.00017 -0.00012 100 2S -0.00021 -0.00292 -0.00300 0.00034 -0.00089 101 12 H 1S 0.00000 0.00001 0.00000 0.00003 0.00000 102 2S 0.00000 0.00040 0.00007 0.00037 0.00002 103 13 C 1S 0.00000 0.00001 0.00004 0.00000 0.00000 104 2S 0.00000 -0.00039 -0.00054 -0.00001 -0.00004 105 2PX 0.00000 -0.00103 -0.00093 -0.00007 -0.00012 106 2PY 0.00000 0.00001 -0.00001 -0.00005 0.00000 107 2PZ 0.00000 -0.00005 -0.00001 0.00000 -0.00009 108 3S -0.00003 -0.00286 -0.00326 -0.00007 -0.00021 109 3PX -0.00005 -0.00331 0.00013 -0.00011 -0.00021 110 3PY 0.00000 0.00010 0.00014 -0.00044 0.00001 111 3PZ -0.00015 -0.00013 -0.00007 0.00000 -0.00061 112 4XX 0.00000 0.00014 0.00044 0.00001 0.00003 113 4YY 0.00000 -0.00001 -0.00009 0.00000 0.00000 114 4ZZ 0.00000 -0.00003 -0.00011 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 -0.00001 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 H 1S 0.00000 -0.00045 -0.00048 -0.00014 0.00009 119 2S 0.00016 -0.00210 -0.00172 -0.00058 0.00049 120 15 H 1S 0.00000 0.00001 0.00003 0.00000 0.00000 121 2S 0.00001 0.00046 0.00124 0.00011 0.00012 122 16 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 123 2S 0.00000 -0.00006 -0.00045 0.00004 -0.00001 124 2PX 0.00000 -0.00015 -0.00059 -0.00006 -0.00002 125 2PY 0.00000 -0.00004 -0.00004 -0.00001 -0.00001 126 2PZ 0.00000 0.00001 0.00003 0.00000 -0.00002 127 3S -0.00003 -0.00107 -0.00499 0.00095 -0.00021 128 3PX 0.00000 -0.00024 -0.00060 -0.00019 -0.00001 129 3PY 0.00001 -0.00032 0.00039 -0.00007 -0.00001 130 3PZ -0.00005 0.00008 0.00016 -0.00002 -0.00026 131 4XX 0.00000 0.00001 0.00003 0.00000 0.00000 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 134 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00002 0.00001 -0.00003 0.00000 138 2S -0.00002 0.00031 0.00085 -0.00059 -0.00014 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00004 0.00029 0.00001 0.00002 141 19 O 1S 0.00000 -0.00013 0.00000 -0.00014 -0.00001 142 2S -0.00003 0.00200 0.00009 0.00147 0.00034 143 2PX -0.00005 -0.00074 0.00019 -0.00020 -0.00007 144 2PY -0.00005 -0.00427 0.00105 -0.00423 0.00087 145 2PZ 0.00003 0.00027 -0.00124 -0.00151 -0.00029 146 3S -0.00084 0.01262 -0.00127 0.00962 -0.00039 147 3PX -0.00102 -0.00356 -0.00142 0.00009 -0.00098 148 3PY -0.00042 -0.01640 0.00199 -0.01059 0.00302 149 3PZ -0.00018 0.00197 -0.00482 -0.00484 -0.00248 150 4XX 0.00002 0.00004 -0.00009 -0.00019 0.00016 151 4YY 0.00001 -0.00062 0.00005 -0.00056 0.00015 152 4ZZ 0.00000 -0.00011 0.00011 -0.00017 -0.00006 153 4XY 0.00000 0.00000 0.00001 0.00010 0.00000 154 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 155 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 156 20 O 1S -0.00030 0.00133 0.00029 -0.00027 0.00044 157 2S 0.00540 -0.02021 -0.00428 0.00287 -0.00588 158 2PX 0.01937 0.00349 0.00051 0.00069 0.00347 159 2PY 0.00370 0.00289 -0.00129 0.00461 0.00029 160 2PZ 0.00309 0.00684 0.00776 0.00155 -0.00120 161 3S 0.00958 -0.06295 -0.01155 0.00244 -0.01076 162 3PX 0.01956 0.00095 -0.00193 -0.00011 0.00196 163 3PY 0.00651 0.00839 -0.00310 0.01104 0.00114 164 3PZ -0.00174 0.01610 0.00886 0.00298 -0.00697 165 4XX 0.00109 0.00153 -0.00127 0.00052 0.00103 166 4YY 0.00044 0.00058 -0.00036 -0.00023 0.00029 167 4ZZ -0.00045 0.00101 0.00207 0.00016 -0.00055 168 4XY 0.00104 0.00017 0.00001 0.00020 0.00006 169 4XZ 0.00008 0.00042 0.00000 0.00004 0.00005 170 4YZ 0.00010 0.00017 0.00020 0.00012 0.00001 171 21 C 1S 0.00000 0.00007 0.00024 0.00007 -0.00002 172 2S 0.00001 -0.00077 -0.00343 -0.00115 0.00097 173 2PX -0.00040 -0.00349 -0.00246 -0.00025 -0.00079 174 2PY -0.00024 0.00049 -0.00178 -0.00087 -0.00083 175 2PZ 0.00001 -0.00159 -0.00220 0.00017 0.00003 176 3S -0.00004 0.00114 -0.00718 -0.00271 0.00295 177 3PX -0.00346 -0.00871 0.00157 0.00029 -0.00415 178 3PY -0.00105 0.00058 -0.00176 0.00005 -0.00046 179 3PZ 0.00004 -0.00128 -0.00325 -0.00026 -0.00045 180 4XX 0.00008 -0.00025 0.00049 0.00008 0.00008 181 4YY -0.00003 -0.00017 -0.00061 0.00004 -0.00019 182 4ZZ 0.00001 0.00033 0.00059 -0.00007 0.00004 183 4XY 0.00002 0.00002 -0.00015 -0.00008 -0.00007 184 4XZ 0.00003 0.00006 0.00008 -0.00003 0.00001 185 4YZ 0.00000 0.00002 0.00010 -0.00002 0.00000 186 22 H 1S 0.00000 0.00021 0.00022 -0.00007 0.00011 187 2S 0.00017 0.00178 0.00190 -0.00023 0.00035 188 23 H 1S 0.00000 -0.00005 0.00032 0.00003 0.00001 189 2S -0.00012 -0.00222 0.00603 0.00084 -0.00068 91 92 93 94 95 91 4XX 0.00257 92 4YY -0.00022 0.00122 93 4ZZ -0.00017 -0.00012 0.00177 94 4XY 0.00000 0.00000 0.00000 0.00157 95 4XZ 0.00000 0.00000 0.00000 0.00000 0.00159 96 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S -0.00138 -0.00041 0.00210 0.00064 0.00044 98 2S -0.00261 -0.00056 0.00337 0.00014 0.00008 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00003 0.00005 -0.00001 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 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 0.00001 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 0.00002 0.00000 0.00001 0.00000 0.00001 109 3PX 0.00011 0.00001 -0.00002 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00004 0.00000 0.00002 0.00000 0.00002 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00001 0.00000 0.00001 -0.00001 0.00000 128 3PX 0.00002 -0.00001 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00001 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 144 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 145 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 146 3S -0.00004 0.00013 -0.00001 -0.00002 -0.00004 147 3PX -0.00006 0.00010 0.00010 0.00006 0.00000 148 3PY -0.00001 0.00038 -0.00004 0.00008 -0.00004 149 3PZ 0.00005 0.00007 -0.00003 0.00006 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00001 0.00000 0.00001 0.00000 156 20 O 1S -0.00004 0.00000 -0.00001 -0.00005 -0.00009 157 2S 0.00111 -0.00019 0.00021 0.00087 0.00166 158 2PX -0.00088 -0.00052 0.00162 0.00035 0.00279 159 2PY 0.00079 0.00017 0.00032 0.00028 0.00123 160 2PZ 0.00394 -0.00025 -0.00069 0.00138 0.00027 161 3S 0.00123 -0.00005 0.00061 0.00101 0.00119 162 3PX -0.00176 -0.00162 0.00391 -0.00001 0.00080 163 3PY 0.00111 -0.00053 0.00066 0.00077 0.00085 164 3PZ 0.00637 -0.00071 -0.00229 0.00089 -0.00001 165 4XX -0.00004 -0.00001 0.00005 0.00002 0.00001 166 4YY 0.00008 -0.00004 0.00003 0.00002 0.00010 167 4ZZ 0.00009 0.00000 -0.00003 0.00002 -0.00002 168 4XY -0.00006 0.00000 0.00004 0.00000 0.00011 169 4XZ -0.00001 -0.00003 0.00000 0.00003 0.00007 170 4YZ 0.00018 0.00000 -0.00003 -0.00002 0.00002 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00004 -0.00001 0.00001 0.00002 0.00001 173 2PX 0.00014 -0.00003 0.00003 0.00007 0.00008 174 2PY 0.00003 0.00000 0.00001 0.00000 -0.00001 175 2PZ 0.00005 -0.00001 0.00001 0.00002 0.00002 176 3S 0.00005 -0.00010 0.00006 0.00006 -0.00004 177 3PX 0.00006 -0.00021 0.00050 0.00013 0.00005 178 3PY -0.00002 0.00003 -0.00001 -0.00008 -0.00009 179 3PZ 0.00043 -0.00006 -0.00011 0.00001 0.00000 180 4XX -0.00001 0.00000 0.00001 0.00001 0.00002 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 184 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00004 0.00001 -0.00007 -0.00001 -0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00023 0.00000 0.00009 0.00002 0.00001 96 97 98 99 100 96 4YZ 0.00181 97 10 H 1S 0.00359 0.21512 98 2S 0.00064 0.10465 0.14252 99 11 H 1S 0.00000 0.00000 -0.00007 0.21689 100 2S 0.00001 -0.00013 0.00021 0.11507 0.16312 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 -0.00004 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00017 104 2S 0.00000 0.00000 -0.00012 -0.00012 -0.00246 105 2PX 0.00000 -0.00001 0.00003 -0.00015 -0.00265 106 2PY 0.00000 0.00000 0.00002 -0.00028 -0.00439 107 2PZ 0.00000 0.00000 0.00017 -0.00011 -0.00188 108 3S 0.00000 -0.00035 -0.00165 -0.00433 -0.01673 109 3PX 0.00000 -0.00019 0.00045 -0.00193 -0.00635 110 3PY 0.00000 -0.00006 0.00004 -0.00115 -0.00515 111 3PZ 0.00000 -0.00020 -0.00017 -0.00145 -0.00463 112 4XX 0.00000 0.00000 -0.00009 0.00000 -0.00017 113 4YY 0.00000 0.00000 0.00001 0.00004 0.00064 114 4ZZ 0.00000 0.00000 0.00005 -0.00001 -0.00018 115 4XY 0.00000 0.00000 0.00000 0.00002 0.00005 116 4XZ 0.00000 0.00000 0.00001 0.00000 -0.00006 117 4YZ 0.00000 0.00000 0.00000 0.00002 0.00005 118 14 H 1S 0.00000 0.00000 0.00081 -0.00001 -0.00029 119 2S 0.00000 0.00064 0.00646 -0.00039 -0.00053 120 15 H 1S 0.00000 0.00000 -0.00001 0.00000 -0.00010 121 2S 0.00000 0.00000 -0.00027 -0.00016 -0.00027 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00002 0.00000 0.00006 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 125 2PY 0.00000 0.00000 -0.00001 0.00000 0.00028 126 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00002 127 3S 0.00000 0.00002 0.00065 0.00008 0.00133 128 3PX 0.00000 -0.00002 -0.00022 0.00000 0.00008 129 3PY 0.00000 0.00000 -0.00004 0.00023 0.00299 130 3PZ 0.00000 -0.00001 -0.00021 0.00000 0.00013 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 138 2S 0.00000 -0.00001 -0.00048 0.00000 -0.00016 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00001 0.00000 -0.00010 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00002 0.00000 0.00000 143 2PX 0.00001 0.00000 0.00009 0.00000 0.00000 144 2PY 0.00001 0.00000 0.00014 0.00000 0.00000 145 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 146 3S 0.00002 0.00001 -0.00002 0.00000 0.00000 147 3PX 0.00008 0.00002 0.00085 0.00000 -0.00001 148 3PY 0.00013 0.00003 0.00113 0.00000 0.00000 149 3PZ -0.00001 0.00001 -0.00016 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00003 0.00000 0.00013 0.00000 0.00000 157 2S 0.00057 -0.00005 -0.00188 0.00000 0.00004 158 2PX 0.00102 -0.00002 -0.00014 0.00000 0.00000 159 2PY 0.00016 -0.00001 -0.00015 0.00000 0.00004 160 2PZ 0.00003 -0.00014 -0.00395 0.00000 0.00000 161 3S 0.00077 -0.00231 -0.01051 -0.00001 0.00036 162 3PX 0.00057 0.00014 0.00252 -0.00001 0.00001 163 3PY 0.00048 -0.00014 -0.00045 0.00000 0.00025 164 3PZ 0.00000 -0.00334 -0.01531 0.00000 0.00003 165 4XX -0.00002 0.00002 0.00006 0.00000 -0.00001 166 4YY 0.00001 0.00000 0.00015 0.00000 0.00000 167 4ZZ -0.00001 0.00005 0.00026 0.00000 0.00000 168 4XY -0.00003 0.00001 0.00002 0.00000 0.00000 169 4XZ 0.00000 0.00005 0.00006 0.00000 0.00000 170 4YZ 0.00000 0.00001 0.00004 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00002 0.00000 0.00019 0.00000 0.00000 173 2PX 0.00005 0.00000 0.00031 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00014 0.00000 0.00000 175 2PZ 0.00001 0.00000 0.00020 0.00000 0.00000 176 3S 0.00007 0.00014 0.00130 0.00000 -0.00001 177 3PX 0.00004 0.00027 0.00224 0.00000 -0.00002 178 3PY -0.00004 0.00014 0.00069 0.00000 -0.00003 179 3PZ 0.00000 -0.00003 -0.00005 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00003 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 -0.00003 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 185 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 187 2S 0.00000 -0.00001 -0.00030 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00002 0.00000 0.00000 189 2S -0.00001 0.00002 0.00068 0.00000 0.00000 101 102 103 104 105 101 12 H 1S 0.21689 102 2S 0.11507 0.16312 103 13 C 1S 0.00000 0.00000 2.05093 104 2S 0.00000 0.00006 -0.01173 0.30675 105 2PX 0.00000 0.00002 0.00000 0.00000 0.39946 106 2PY 0.00000 0.00028 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 108 3S 0.00008 0.00133 -0.03468 0.23023 0.00000 109 3PX 0.00000 0.00008 0.00000 0.00000 0.10534 110 3PY 0.00023 0.00299 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00013 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00136 -0.00117 0.00000 113 4YY 0.00000 0.00000 -0.00123 -0.00373 0.00000 114 4ZZ 0.00000 0.00000 -0.00136 -0.00110 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 H 1S 0.00000 0.00000 -0.00165 0.02726 0.00377 119 2S 0.00000 -0.00016 -0.00051 0.00973 0.00277 120 15 H 1S 0.00000 0.00000 -0.00167 0.02754 0.08143 121 2S 0.00000 -0.00010 -0.00062 0.01033 0.05295 122 16 C 1S 0.00000 0.00017 0.00000 -0.00013 0.00000 123 2S -0.00012 -0.00247 -0.00013 0.00357 0.00000 124 2PX -0.00015 -0.00265 0.00000 0.00000 0.00014 125 2PY -0.00028 -0.00439 -0.00105 0.02296 0.00000 126 2PZ -0.00011 -0.00188 0.00000 0.00000 0.00000 127 3S -0.00433 -0.01673 0.00033 0.00284 0.00000 128 3PX -0.00193 -0.00635 0.00000 0.00000 -0.00174 129 3PY -0.00115 -0.00515 -0.00140 0.02012 0.00000 130 3PZ -0.00145 -0.00463 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00017 0.00000 -0.00023 0.00000 132 4YY 0.00004 0.00064 -0.00011 0.00253 0.00000 133 4ZZ -0.00001 -0.00018 0.00000 -0.00022 0.00000 134 4XY 0.00002 0.00005 0.00000 0.00000 0.00109 135 4XZ 0.00000 -0.00006 0.00000 0.00000 0.00000 136 4YZ 0.00002 0.00005 0.00000 0.00000 0.00000 137 17 H 1S -0.00001 -0.00029 0.00000 -0.00011 -0.00001 138 2S -0.00039 -0.00053 0.00010 -0.00182 -0.00019 139 18 H 1S 0.00000 -0.00011 0.00000 -0.00013 -0.00014 140 2S -0.00016 -0.00027 0.00014 -0.00231 -0.00158 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00004 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00001 0.00036 0.00000 0.00000 0.00000 147 3PX -0.00001 0.00001 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00025 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 150 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 -0.00001 0.00000 0.00000 0.00001 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00002 0.00000 0.00000 0.00000 178 3PY 0.00000 -0.00003 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2PY 0.38112 107 2PZ 0.00000 0.40015 108 3S 0.00000 0.00000 0.31661 109 3PX 0.00000 0.00000 0.00000 0.08895 110 3PY 0.09958 0.00000 0.00000 0.00000 0.08740 111 3PZ 0.00000 0.10200 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00038 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00091 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 H 1S 0.01178 0.08206 0.02945 0.00216 0.00757 119 2S 0.00736 0.05512 -0.00242 0.00260 0.00718 120 15 H 1S 0.00962 0.00595 0.03249 0.05357 0.00702 121 2S 0.00575 0.00401 0.00684 0.05341 0.00608 122 16 C 1S -0.00105 0.00000 0.00033 0.00000 -0.00140 123 2S 0.02296 0.00000 0.00284 0.00000 0.02012 124 2PX 0.00000 0.00000 0.00000 -0.00174 0.00000 125 2PY 0.07743 0.00000 0.02725 0.00000 0.03429 126 2PZ 0.00000 0.00027 0.00000 0.00000 0.00000 127 3S 0.02725 0.00000 -0.01130 0.00000 0.01588 128 3PX 0.00000 0.00000 0.00000 -0.00450 0.00000 129 3PY 0.03429 0.00000 0.01588 0.00000 0.01485 130 3PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 131 4XX -0.00059 0.00000 -0.00138 0.00000 -0.00137 132 4YY 0.00253 0.00000 0.00379 0.00000 0.00190 133 4ZZ -0.00062 0.00000 -0.00065 0.00000 -0.00137 134 4XY 0.00000 0.00000 0.00000 0.00077 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00109 0.00000 0.00000 0.00000 137 17 H 1S -0.00033 -0.00012 -0.00129 -0.00003 -0.00262 138 2S -0.00489 -0.00166 -0.00249 -0.00029 -0.00791 139 18 H 1S -0.00033 -0.00001 -0.00222 -0.00148 -0.00193 140 2S -0.00474 -0.00023 -0.00949 -0.00415 -0.00662 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00001 0.00000 0.00001 147 3PX 0.00000 0.00000 0.00007 0.00002 0.00002 148 3PY 0.00000 0.00000 0.00001 0.00002 0.00001 149 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00003 0.00013 0.00001 162 3PX 0.00000 0.00000 0.00014 0.00000 0.00002 163 3PY 0.00000 0.00000 -0.00002 -0.00002 0.00000 164 3PZ 0.00000 0.00000 -0.00003 -0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 -0.00001 0.00000 177 3PX 0.00000 0.00000 0.00002 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3PZ 0.08364 112 4XX 0.00000 0.00161 113 4YY 0.00000 -0.00013 0.00123 114 4ZZ 0.00000 -0.00022 -0.00010 0.00156 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00089 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 H 1S 0.05194 -0.00099 -0.00081 0.00520 0.00006 119 2S 0.05288 -0.00306 -0.00121 0.00568 0.00002 120 15 H 1S 0.00302 0.00518 -0.00087 -0.00094 0.00172 121 2S 0.00314 0.00547 -0.00159 -0.00261 0.00038 122 16 C 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 123 2S 0.00000 -0.00023 0.00253 -0.00022 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00109 125 2PY 0.00000 -0.00059 0.00253 -0.00062 0.00000 126 2PZ -0.00119 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00138 0.00379 -0.00065 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00077 129 3PY 0.00000 -0.00137 0.00190 -0.00137 0.00000 130 3PZ -0.00302 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 -0.00003 -0.00002 0.00000 133 4ZZ 0.00000 0.00000 -0.00002 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00014 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00071 0.00000 0.00000 0.00000 0.00000 137 17 H 1S -0.00133 0.00000 0.00002 0.00000 0.00000 138 2S -0.00417 0.00024 -0.00015 -0.00007 0.00002 139 18 H 1S -0.00002 -0.00001 0.00003 0.00000 0.00006 140 2S -0.00039 -0.00008 -0.00005 0.00021 0.00029 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00006 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00005 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 4XZ 0.00065 117 4YZ 0.00000 0.00095 118 14 H 1S 0.00045 0.00199 0.21677 119 2S 0.00009 0.00044 0.11803 0.17240 120 15 H 1S 0.00078 0.00010 -0.00052 -0.00875 0.21519 121 2S 0.00015 0.00003 -0.00805 -0.02613 0.11332 122 16 C 1S 0.00000 0.00000 0.00000 0.00010 0.00000 123 2S 0.00000 0.00000 -0.00011 -0.00182 -0.00013 124 2PX 0.00000 0.00000 -0.00001 -0.00019 -0.00014 125 2PY 0.00000 0.00000 -0.00033 -0.00489 -0.00033 126 2PZ 0.00000 0.00109 -0.00012 -0.00166 -0.00001 127 3S 0.00000 0.00000 -0.00129 -0.00249 -0.00222 128 3PX 0.00000 0.00000 -0.00003 -0.00029 -0.00148 129 3PY 0.00000 0.00000 -0.00262 -0.00791 -0.00193 130 3PZ 0.00000 0.00071 -0.00133 -0.00417 -0.00002 131 4XX 0.00000 0.00000 0.00000 0.00024 -0.00001 132 4YY 0.00000 0.00000 0.00002 -0.00015 0.00003 133 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00002 0.00006 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 -0.00015 0.00006 0.00030 0.00001 137 17 H 1S 0.00000 0.00006 -0.00004 -0.00166 0.00000 138 2S 0.00000 0.00030 -0.00166 -0.00812 0.00043 139 18 H 1S 0.00000 0.00001 0.00000 0.00043 -0.00005 140 2S 0.00000 0.00003 0.00037 0.00391 -0.00190 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00005 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00014 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00006 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 2S 0.15965 122 16 C 1S 0.00014 2.05093 123 2S -0.00231 -0.01173 0.30675 124 2PX -0.00158 0.00000 0.00000 0.39946 125 2PY -0.00474 0.00000 0.00000 0.00000 0.38112 126 2PZ -0.00023 0.00000 0.00000 0.00000 0.00000 127 3S -0.00949 -0.03468 0.23023 0.00000 0.00000 128 3PX -0.00415 0.00000 0.00000 0.10533 0.00000 129 3PY -0.00662 0.00000 0.00000 0.00000 0.09958 130 3PZ -0.00039 0.00000 0.00000 0.00000 0.00000 131 4XX -0.00008 -0.00136 -0.00117 0.00000 0.00000 132 4YY -0.00005 -0.00123 -0.00373 0.00000 0.00000 133 4ZZ 0.00021 -0.00136 -0.00110 0.00000 0.00000 134 4XY 0.00029 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00003 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00037 -0.00165 0.02726 0.00378 0.01178 138 2S 0.00391 -0.00051 0.00973 0.00277 0.00736 139 18 H 1S -0.00190 -0.00167 0.02754 0.08143 0.00962 140 2S -0.00682 -0.00062 0.01033 0.05295 0.00575 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2PZ 0.40015 127 3S 0.00000 0.31661 128 3PX 0.00000 0.00000 0.08894 129 3PY 0.00000 0.00000 0.00000 0.08740 130 3PZ 0.10200 0.00000 0.00000 0.00000 0.08364 131 4XX 0.00000 0.00038 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00323 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00091 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.08206 0.02945 0.00216 0.00756 0.05194 138 2S 0.05512 -0.00242 0.00260 0.00717 0.05288 139 18 H 1S 0.00594 0.03249 0.05358 0.00702 0.00301 140 2S 0.00400 0.00684 0.05341 0.00608 0.00313 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00003 0.00013 0.00001 0.00000 147 3PX 0.00000 0.00014 0.00000 0.00002 0.00006 148 3PY 0.00000 -0.00002 -0.00002 0.00000 0.00000 149 3PZ 0.00000 -0.00003 -0.00001 0.00000 0.00005 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00001 0.00000 0.00001 0.00000 162 3PX 0.00000 0.00007 0.00002 0.00002 0.00001 163 3PY 0.00000 0.00001 0.00002 0.00001 0.00000 164 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 -0.00001 -0.00001 0.00000 0.00000 177 3PX 0.00000 0.00002 0.00000 0.00000 0.00001 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 4XX 0.00161 132 4YY -0.00013 0.00123 133 4ZZ -0.00022 -0.00010 0.00156 134 4XY 0.00000 0.00000 0.00000 0.00089 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00065 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S -0.00099 -0.00081 0.00520 0.00006 0.00045 138 2S -0.00306 -0.00121 0.00568 0.00002 0.00009 139 18 H 1S 0.00518 -0.00087 -0.00094 0.00172 0.00078 140 2S 0.00547 -0.00158 -0.00261 0.00038 0.00015 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 4YZ 0.00095 137 17 H 1S 0.00199 0.21677 138 2S 0.00044 0.11803 0.17241 139 18 H 1S 0.00010 -0.00052 -0.00875 0.21519 140 2S 0.00003 -0.00805 -0.02613 0.11332 0.15965 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00005 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00014 0.00000 -0.00002 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 -0.00006 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 19 O 1S 2.07561 142 2S -0.04155 0.50274 143 2PX 0.00000 0.00000 0.61893 144 2PY 0.00000 0.00000 0.00000 0.66749 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.74388 146 3S -0.04121 0.45391 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.18662 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.24767 150 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 152 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00010 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00001 0.00034 0.00000 -0.00120 0.00000 162 3PX 0.00000 0.00000 0.00018 0.00000 0.00000 163 3PY 0.00003 -0.00069 0.00000 -0.00639 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00002 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01955 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00241 175 2PZ -0.00003 0.00060 0.00094 0.00265 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00691 0.00126 178 3PY -0.00016 0.00080 0.00862 0.00069 0.00081 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00482 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00023 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00063 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00021 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 146 147 148 149 150 146 3S 0.76069 147 3PX 0.00000 0.23557 148 3PY 0.00000 0.00000 0.27449 149 3PZ 0.00000 0.00000 0.00000 0.33562 150 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 151 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 152 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00001 0.00000 0.00003 0.00000 0.00000 157 2S 0.00034 0.00000 -0.00069 0.00000 0.00000 158 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 159 2PY -0.00120 0.00000 -0.00639 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 161 3S 0.00560 0.00000 -0.00581 0.00000 0.00000 162 3PX 0.00000 0.00196 0.00000 0.00000 0.00000 163 3PY -0.00581 0.00000 -0.02512 0.00000 -0.00010 164 3PZ 0.00000 0.00000 0.00000 -0.00046 0.00000 165 4XX 0.00000 0.00000 -0.00010 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00006 0.00000 0.00000 167 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 168 4XY 0.00000 0.00004 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00714 0.03007 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01885 0.01949 0.00196 -0.00013 175 2PZ 0.00095 0.00035 0.00330 -0.00370 0.00004 176 3S -0.06101 0.00328 0.02318 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01058 0.00206 -0.00054 178 3PY -0.00380 0.01216 -0.00008 0.00064 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00420 -0.00090 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00067 -0.00045 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00347 -0.01726 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00071 -0.02470 -0.00359 -0.00542 0.00050 151 152 153 154 155 151 4YY 0.00293 152 4ZZ -0.00010 0.00115 153 4XY 0.00000 0.00000 0.00154 154 4XZ 0.00000 0.00000 0.00000 0.00055 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00001 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00004 0.00000 0.00000 163 3PY 0.00006 -0.00002 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00006 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 156 157 158 159 160 156 20 O 1S 2.07561 157 2S -0.04155 0.50274 158 2PX 0.00000 0.00000 0.61893 159 2PY 0.00000 0.00000 0.00000 0.66749 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.74389 161 3S -0.04121 0.45390 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.18662 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21362 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.24768 165 4XX -0.00054 -0.00044 0.00000 0.00000 0.00000 166 4YY -0.00042 -0.00460 0.00000 0.00000 0.00000 167 4ZZ -0.00043 -0.00427 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00009 -0.00022 -0.00001 172 2S -0.00002 0.00026 0.00486 0.01278 0.00044 173 2PX -0.00021 0.00431 0.00280 0.01955 0.00092 174 2PY -0.00042 0.00845 0.01806 0.02363 0.00241 175 2PZ -0.00003 0.00060 0.00094 0.00265 -0.00034 176 3S 0.00108 -0.01635 0.00313 0.01024 0.00013 177 3PX 0.00011 -0.00140 -0.00042 0.00691 0.00126 178 3PY -0.00016 0.00080 0.00862 0.00069 0.00081 179 3PZ 0.00004 -0.00043 0.00130 0.00105 0.00482 180 4XX 0.00001 -0.00014 -0.00045 0.00103 0.00029 181 4YY -0.00008 0.00203 0.00292 -0.00052 0.00023 182 4ZZ 0.00000 -0.00023 -0.00012 -0.00029 0.00016 183 4XY -0.00009 0.00192 0.00030 0.00429 0.00063 184 4XZ 0.00000 0.00007 0.00014 0.00043 0.00060 185 4YZ -0.00001 0.00021 0.00065 0.00050 0.00100 186 22 H 1S 0.00000 -0.00006 0.00000 -0.00004 -0.00019 187 2S 0.00008 -0.00109 0.00071 -0.00113 -0.00457 188 23 H 1S 0.00000 -0.00004 -0.00022 -0.00003 -0.00004 189 2S 0.00001 -0.00042 -0.00591 -0.00110 -0.00125 161 162 163 164 165 161 3S 0.76068 162 3PX 0.00000 0.23556 163 3PY 0.00000 0.00000 0.27449 164 3PZ 0.00000 0.00000 0.00000 0.33563 165 4XX -0.00047 0.00000 0.00000 0.00000 0.00074 166 4YY -0.01246 0.00000 0.00000 0.00000 -0.00009 167 4ZZ -0.00755 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00079 -0.00067 -0.00307 -0.00002 -0.00001 172 2S -0.01391 0.00714 0.03008 -0.00002 0.00015 173 2PX 0.00530 -0.00185 0.02629 0.00031 -0.00040 174 2PY 0.00750 0.01885 0.01948 0.00196 -0.00013 175 2PZ 0.00095 0.00035 0.00330 -0.00370 0.00004 176 3S -0.06101 0.00327 0.02318 -0.00068 0.00066 177 3PX -0.00428 -0.00003 0.01058 0.00206 -0.00054 178 3PY -0.00379 0.01216 -0.00008 0.00064 0.00009 179 3PZ -0.00150 0.00206 0.00148 0.01139 -0.00001 180 4XX -0.00103 -0.00174 0.00219 0.00082 0.00001 181 4YY 0.00608 0.00420 -0.00090 0.00017 -0.00014 182 4ZZ -0.00190 -0.00015 -0.00117 -0.00027 0.00002 183 4XY 0.00162 0.00001 0.00175 0.00038 0.00000 184 4XZ -0.00005 -0.00003 0.00027 0.00127 -0.00001 185 4YZ 0.00003 0.00046 0.00018 0.00210 -0.00002 186 22 H 1S -0.00220 0.00067 -0.00045 -0.00420 0.00001 187 2S -0.00660 0.00501 -0.00346 -0.01726 -0.00005 188 23 H 1S -0.00132 -0.00548 -0.00051 -0.00094 0.00008 189 2S 0.00071 -0.02470 -0.00359 -0.00542 0.00050 166 167 168 169 170 166 4YY 0.00293 167 4ZZ -0.00010 0.00115 168 4XY 0.00000 0.00000 0.00154 169 4XZ 0.00000 0.00000 0.00000 0.00055 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00156 171 21 C 1S -0.00016 0.00000 -0.00013 0.00000 -0.00001 172 2S 0.00282 -0.00022 0.00151 0.00003 0.00013 173 2PX 0.00333 -0.00025 0.00008 -0.00002 0.00010 174 2PY 0.00188 -0.00030 0.00119 -0.00003 -0.00003 175 2PZ 0.00040 0.00005 0.00022 0.00046 0.00064 176 3S 0.00293 -0.00014 0.00051 -0.00001 0.00005 177 3PX 0.00137 -0.00020 0.00003 0.00001 0.00004 178 3PY 0.00025 -0.00002 0.00008 -0.00003 0.00001 179 3PZ 0.00022 -0.00005 0.00007 0.00021 0.00047 180 4XX 0.00016 -0.00004 -0.00006 0.00000 0.00000 181 4YY -0.00006 -0.00004 0.00019 -0.00003 0.00002 182 4ZZ -0.00006 0.00004 -0.00002 -0.00001 0.00001 183 4XY 0.00028 -0.00007 0.00001 0.00001 0.00001 184 4XZ 0.00007 -0.00001 0.00000 -0.00001 0.00006 185 4YZ 0.00003 -0.00001 0.00005 0.00000 0.00011 186 22 H 1S 0.00000 0.00005 0.00001 0.00006 0.00003 187 2S -0.00021 0.00068 0.00002 0.00016 -0.00006 188 23 H 1S 0.00000 -0.00001 0.00002 0.00001 0.00000 189 2S -0.00032 -0.00031 -0.00016 0.00003 -0.00002 171 172 173 174 175 171 21 C 1S 2.04988 172 2S -0.01438 0.34507 173 2PX 0.00000 0.00000 0.38992 174 2PY 0.00000 0.00000 0.00000 0.29478 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.46072 176 3S -0.02752 0.21127 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.07401 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04064 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.09175 180 4XX -0.00134 -0.00129 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00714 0.00000 0.00000 0.00000 182 4ZZ -0.00144 0.00069 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00195 0.03454 0.00450 0.00000 0.09811 187 2S -0.00120 0.01835 0.00137 0.00000 0.05860 188 23 H 1S -0.00180 0.03145 0.06350 0.00000 0.03566 189 2S -0.00075 0.01103 0.03863 0.00000 0.02490 176 177 178 179 180 176 3S 0.23162 177 3PX 0.00000 0.05548 178 3PY 0.00000 0.00000 0.02776 179 3PZ 0.00000 0.00000 0.00000 0.06559 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00243 181 4YY -0.00789 0.00000 0.00000 0.00000 -0.00038 182 4ZZ 0.00298 0.00000 0.00000 0.00000 -0.00021 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.03952 0.00464 0.00000 0.04427 -0.00138 187 2S 0.02207 0.00351 0.00000 0.03579 -0.00403 188 23 H 1S 0.04236 0.02814 0.00000 0.01372 0.00400 189 2S 0.02201 0.01758 0.00000 0.00989 0.00634 181 182 183 184 185 181 4YY 0.00355 182 4ZZ -0.00054 0.00259 183 4XY 0.00000 0.00000 0.00351 184 4XZ 0.00000 0.00000 0.00000 0.00234 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00183 186 22 H 1S -0.00137 0.00799 0.00000 0.00138 0.00000 187 2S -0.00220 0.00715 0.00000 0.00041 0.00000 188 23 H 1S -0.00149 -0.00044 0.00000 0.00466 0.00000 189 2S -0.00354 -0.00223 0.00000 0.00131 0.00000 186 187 188 189 186 22 H 1S 0.22384 187 2S 0.11188 0.15548 188 23 H 1S -0.00071 -0.01130 0.22403 189 2S -0.01252 -0.04313 0.12518 0.21156 Gross orbital populations: 1 1 1 C 1S 1.99196 2 2S 0.70788 3 2PX 0.60696 4 2PY 0.74878 5 2PZ 0.72129 6 3S 0.49775 7 3PX 0.40281 8 3PY 0.20002 9 3PZ 0.21533 10 4XX -0.01975 11 4YY 0.00166 12 4ZZ 0.00312 13 4XY 0.00646 14 4XZ 0.00532 15 4YZ 0.01200 16 2 C 1S 1.99262 17 2S 0.70375 18 2PX 0.60226 19 2PY 0.72574 20 2PZ 0.69718 21 3S 0.58678 22 3PX 0.33972 23 3PY 0.24542 24 3PZ 0.24617 25 4XX -0.01606 26 4YY 0.01166 27 4ZZ -0.00554 28 4XY 0.00345 29 4XZ 0.00783 30 4YZ 0.00693 31 3 C 1S 1.99262 32 2S 0.70375 33 2PX 0.60227 34 2PY 0.72574 35 2PZ 0.69717 36 3S 0.58679 37 3PX 0.33969 38 3PY 0.24543 39 3PZ 0.24619 40 4XX -0.01606 41 4YY 0.01166 42 4ZZ -0.00554 43 4XY 0.00345 44 4XZ 0.00783 45 4YZ 0.00693 46 4 C 1S 1.99196 47 2S 0.70788 48 2PX 0.60697 49 2PY 0.74878 50 2PZ 0.72128 51 3S 0.49775 52 3PX 0.40281 53 3PY 0.20002 54 3PZ 0.21533 55 4XX -0.01975 56 4YY 0.00166 57 4ZZ 0.00312 58 4XY 0.00646 59 4XZ 0.00532 60 4YZ 0.01200 61 5 H 1S 0.53326 62 2S 0.34344 63 6 H 1S 0.53326 64 2S 0.34344 65 7 C 1S 1.99220 66 2S 0.70368 67 2PX 0.60644 68 2PY 0.75457 69 2PZ 0.64391 70 3S 0.48906 71 3PX 0.27373 72 3PY 0.17607 73 3PZ 0.24779 74 4XX -0.00674 75 4YY 0.00492 76 4ZZ -0.00147 77 4XY 0.01211 78 4XZ 0.01183 79 4YZ 0.01347 80 8 H 1S 0.52886 81 2S 0.31107 82 9 C 1S 1.99220 83 2S 0.70368 84 2PX 0.60644 85 2PY 0.75457 86 2PZ 0.64391 87 3S 0.48907 88 3PX 0.27373 89 3PY 0.17607 90 3PZ 0.24780 91 4XX -0.00674 92 4YY 0.00492 93 4ZZ -0.00147 94 4XY 0.01211 95 4XZ 0.01183 96 4YZ 0.01347 97 10 H 1S 0.52886 98 2S 0.31107 99 11 H 1S 0.53316 100 2S 0.34211 101 12 H 1S 0.53316 102 2S 0.34212 103 13 C 1S 1.99218 104 2S 0.68146 105 2PX 0.70886 106 2PY 0.68425 107 2PZ 0.71024 108 3S 0.58576 109 3PX 0.31162 110 3PY 0.27242 111 3PZ 0.30475 112 4XX 0.00442 113 4YY -0.00230 114 4ZZ 0.00462 115 4XY 0.00713 116 4XZ 0.00536 117 4YZ 0.00752 118 14 H 1S 0.53342 119 2S 0.33924 120 15 H 1S 0.52925 121 2S 0.32172 122 16 C 1S 1.99218 123 2S 0.68146 124 2PX 0.70887 125 2PY 0.68425 126 2PZ 0.71024 127 3S 0.58576 128 3PX 0.31162 129 3PY 0.27242 130 3PZ 0.30475 131 4XX 0.00442 132 4YY -0.00230 133 4ZZ 0.00462 134 4XY 0.00713 135 4XZ 0.00535 136 4YZ 0.00752 137 17 H 1S 0.53342 138 2S 0.33924 139 18 H 1S 0.52925 140 2S 0.32172 141 19 O 1S 1.99235 142 2S 0.89849 143 2PX 0.90462 144 2PY 0.96624 145 2PZ 1.04402 146 3S 1.01131 147 3PX 0.48633 148 3PY 0.56110 149 3PZ 0.60066 150 4XX 0.00299 151 4YY -0.00142 152 4ZZ -0.00756 153 4XY 0.00877 154 4XZ 0.00462 155 4YZ 0.00584 156 20 O 1S 1.99235 157 2S 0.89848 158 2PX 0.90462 159 2PY 0.96624 160 2PZ 1.04403 161 3S 1.01130 162 3PX 0.48633 163 3PY 0.56109 164 3PZ 0.60066 165 4XX 0.00299 166 4YY -0.00142 167 4ZZ -0.00756 168 4XY 0.00877 169 4XZ 0.00462 170 4YZ 0.00584 171 21 C 1S 1.99194 172 2S 0.71161 173 2PX 0.67632 174 2PY 0.53364 175 2PZ 0.77482 176 3S 0.44897 177 3PX 0.18880 178 3PY 0.10122 179 3PZ 0.28844 180 4XX 0.00762 181 4YY 0.00402 182 4ZZ 0.01050 183 4XY 0.02513 184 4XZ 0.01632 185 4YZ 0.01270 186 22 H 1S 0.54105 187 2S 0.30638 188 23 H 1S 0.54065 189 2S 0.33334 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.863731 0.567566 -0.040453 0.513838 0.366954 -0.050070 2 C 0.567566 4.996737 -0.023076 -0.040452 -0.049076 0.005863 3 C -0.040453 -0.023076 4.996754 0.567556 0.005863 -0.049076 4 C 0.513838 -0.040452 0.567556 4.863754 -0.050071 0.366954 5 H 0.366954 -0.049076 0.005863 -0.050071 0.612036 -0.007056 6 H -0.050070 0.005863 -0.049076 0.366954 -0.007056 0.612034 7 C -0.014275 0.108677 -0.005099 -0.027140 0.000047 0.000247 8 H -0.000242 -0.025384 0.001566 0.001155 -0.000105 0.000012 9 C -0.027137 -0.005098 0.108682 -0.014279 0.000247 0.000046 10 H 0.001155 0.001566 -0.025386 -0.000241 0.000012 -0.000105 11 H 0.007059 0.000197 0.361728 -0.038391 -0.000146 -0.007911 12 H -0.038390 0.361728 0.000197 0.007059 -0.007911 -0.000146 13 C -0.030116 -0.035092 0.371236 -0.024796 -0.000116 0.005622 14 H 0.000899 0.001630 -0.037707 0.003490 0.000016 -0.000185 15 H 0.001828 0.002205 -0.034290 -0.005807 -0.000002 -0.000064 16 C -0.024796 0.371242 -0.035090 -0.030118 0.005622 -0.000116 17 H 0.003489 -0.037710 0.001628 0.000899 -0.000185 0.000016 18 H -0.005805 -0.034289 0.002206 0.001827 -0.000064 -0.000002 19 O 0.001625 -0.020443 -0.000063 0.002495 0.000455 -0.000013 20 O 0.002494 -0.000063 -0.020446 0.001624 -0.000013 0.000455 21 C 0.002093 0.001062 0.001062 0.002094 0.000109 0.000109 22 H -0.000027 0.000223 0.000223 -0.000027 0.000088 0.000088 23 H 0.000173 -0.000104 -0.000104 0.000173 0.000002 0.000002 7 8 9 10 11 12 1 C -0.014275 -0.000242 -0.027137 0.001155 0.007059 -0.038390 2 C 0.108677 -0.025384 -0.005098 0.001566 0.000197 0.361728 3 C -0.005099 0.001566 0.108682 -0.025386 0.361728 0.000197 4 C -0.027140 0.001155 -0.014279 -0.000241 -0.038391 0.007059 5 H 0.000047 -0.000105 0.000247 0.000012 -0.000146 -0.007911 6 H 0.000247 0.000012 0.000046 -0.000105 -0.007911 -0.000146 7 C 4.925815 0.363412 0.511386 -0.045550 0.000944 -0.008925 8 H 0.363412 0.566948 -0.045551 -0.000242 -0.000045 0.000007 9 C 0.511386 -0.045551 4.925825 0.363412 -0.008926 0.000944 10 H -0.045550 -0.000242 0.363412 0.566949 0.000007 -0.000045 11 H 0.000944 -0.000045 -0.008926 0.000007 0.610155 -0.000003 12 H -0.008925 0.000007 0.000944 -0.000045 -0.000003 0.610156 13 C -0.008677 0.000177 -0.016333 -0.002065 -0.053191 0.005215 14 H 0.000464 -0.000510 -0.005287 0.007911 -0.001212 -0.000165 15 H 0.000388 0.000014 0.002106 -0.000275 -0.000542 -0.000109 16 C -0.016328 -0.002067 -0.008676 0.000177 0.005215 -0.053192 17 H -0.005289 0.007913 0.000464 -0.000511 -0.000165 -0.001211 18 H 0.002106 -0.000275 0.000388 0.000014 -0.000109 -0.000543 19 O 0.232653 -0.034866 -0.040897 0.002095 -0.000014 0.000694 20 O -0.040897 0.002095 0.232652 -0.034866 0.000695 -0.000014 21 C -0.062513 0.005511 -0.062515 0.005511 -0.000074 -0.000074 22 H 0.005086 -0.000316 0.005086 -0.000316 0.000003 0.000003 23 H 0.005053 0.000721 0.005053 0.000721 0.000000 0.000000 13 14 15 16 17 18 1 C -0.030116 0.000899 0.001828 -0.024796 0.003489 -0.005805 2 C -0.035092 0.001630 0.002205 0.371242 -0.037710 -0.034289 3 C 0.371236 -0.037707 -0.034290 -0.035090 0.001628 0.002206 4 C -0.024796 0.003490 -0.005807 -0.030118 0.000899 0.001827 5 H -0.000116 0.000016 -0.000002 0.005622 -0.000185 -0.000064 6 H 0.005622 -0.000185 -0.000064 -0.000116 0.000016 -0.000002 7 C -0.008677 0.000464 0.000388 -0.016328 -0.005289 0.002106 8 H 0.000177 -0.000510 0.000014 -0.002067 0.007913 -0.000275 9 C -0.016333 -0.005287 0.002106 -0.008676 0.000464 0.000388 10 H -0.002065 0.007911 -0.000275 0.000177 -0.000511 0.000014 11 H -0.053191 -0.001212 -0.000542 0.005215 -0.000165 -0.000109 12 H 0.005215 -0.000165 -0.000109 -0.053192 -0.001211 -0.000543 13 C 5.075084 0.356912 0.368642 0.329148 -0.028744 -0.035154 14 H 0.356912 0.625243 -0.043449 -0.028745 -0.011487 0.004711 15 H 0.368642 -0.043449 0.601473 -0.035154 0.004712 -0.010679 16 C 0.329148 -0.028745 -0.035154 5.075082 0.356909 0.368641 17 H -0.028744 -0.011487 0.004712 0.356909 0.625251 -0.043451 18 H -0.035154 0.004711 -0.010679 0.368641 -0.043451 0.601475 19 O 0.000172 -0.000004 -0.000001 0.000367 0.000142 -0.000024 20 O 0.000367 0.000142 -0.000024 0.000172 -0.000004 -0.000001 21 C 0.000003 -0.000011 0.000000 0.000003 -0.000011 0.000000 22 H -0.000003 -0.000001 0.000000 -0.000003 -0.000001 0.000000 23 H 0.000003 0.000001 0.000000 0.000003 0.000001 0.000000 19 20 21 22 23 1 C 0.001625 0.002494 0.002093 -0.000027 0.000173 2 C -0.020443 -0.000063 0.001062 0.000223 -0.000104 3 C -0.000063 -0.020446 0.001062 0.000223 -0.000104 4 C 0.002495 0.001624 0.002094 -0.000027 0.000173 5 H 0.000455 -0.000013 0.000109 0.000088 0.000002 6 H -0.000013 0.000455 0.000109 0.000088 0.000002 7 C 0.232653 -0.040897 -0.062513 0.005086 0.005053 8 H -0.034866 0.002095 0.005511 -0.000316 0.000721 9 C -0.040897 0.232652 -0.062515 0.005086 0.005053 10 H 0.002095 -0.034866 0.005511 -0.000316 0.000721 11 H -0.000014 0.000695 -0.000074 0.000003 0.000000 12 H 0.000694 -0.000014 -0.000074 0.000003 0.000000 13 C 0.000172 0.000367 0.000003 -0.000003 0.000003 14 H -0.000004 0.000142 -0.000011 -0.000001 0.000001 15 H -0.000001 -0.000024 0.000000 0.000000 0.000000 16 C 0.000367 0.000172 0.000003 -0.000003 0.000003 17 H 0.000142 -0.000004 -0.000011 -0.000001 0.000001 18 H -0.000024 -0.000001 0.000000 0.000000 0.000000 19 O 8.198867 -0.046015 0.265666 -0.034082 -0.050469 20 O -0.046015 8.198865 0.265674 -0.034083 -0.050472 21 C 0.265666 0.265674 4.653398 0.370048 0.344925 22 H -0.034082 -0.034083 0.370048 0.603080 -0.067648 23 H -0.050469 -0.050472 0.344925 -0.067648 0.685952 Mulliken charges: 1 1 C -0.101593 2 C -0.147906 3 C -0.147909 4 C -0.101597 5 H 0.123298 6 H 0.123298 7 C 0.078415 8 H 0.160070 9 C 0.078408 10 H 0.160070 11 H 0.124725 12 H 0.124723 13 C -0.278293 14 H 0.127346 15 H 0.149028 16 C -0.278295 17 H 0.127344 18 H 0.149026 19 O -0.478340 20 O -0.478337 21 C 0.207927 22 H 0.152578 23 H 0.126016 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021705 2 C -0.023183 3 C -0.023184 4 C 0.021701 7 C 0.238485 9 C 0.238478 13 C -0.001920 16 C -0.001925 19 O -0.478340 20 O -0.478337 21 C 0.486521 Electronic spatial extent (au): = 1485.1554 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1277 Y= 0.0000 Z= -1.0840 Tot= 1.0915 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5577 YY= -66.3031 ZZ= -62.1438 XY= -0.0001 XZ= 2.8244 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4438 YY= -2.3016 ZZ= 1.8577 XY= -0.0001 XZ= 2.8244 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 28.7691 YYY= 0.0001 ZZZ= -0.9041 XYY= -4.0792 XXY= 0.0000 XXZ= 0.4501 XZZ= 11.0206 YZZ= 0.0002 YYZ= -2.8064 XYZ= -0.0001 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.8855 YYYY= -453.5191 ZZZZ= -374.8215 XXXY= 0.0001 XXXZ= 18.8576 YYYX= -0.0010 YYYZ= 0.0004 ZZZX= 10.3958 ZZZY= 0.0009 XXYY= -281.2193 XXZZ= -255.2252 YYZZ= -134.5007 XXYZ= -0.0005 YYXZ= 1.1866 ZZXY= 0.0000 N-N= 6.491469702180D+02 E-N=-2.463401687194D+03 KE= 4.958692872816D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168150 29.026206 2 O -19.168145 29.026413 3 O -10.286021 15.888299 4 O -10.237379 15.880866 5 O -10.236771 15.892190 6 O -10.185784 15.881676 7 O -10.185614 15.887771 8 O -10.184998 15.891302 9 O -10.184983 15.885114 10 O -10.169178 15.876564 11 O -10.168688 15.886139 12 O -1.102112 2.290470 13 O -1.006407 2.783782 14 O -0.830583 1.393775 15 O -0.761100 1.732924 16 O -0.735993 1.473514 17 O -0.729959 1.511906 18 O -0.641462 1.871426 19 O -0.607851 1.696728 20 O -0.606735 1.505163 21 O -0.585295 1.405904 22 O -0.528810 1.344191 23 O -0.500668 1.235640 24 O -0.494693 0.988541 25 O -0.470844 1.372459 26 O -0.453095 1.129732 27 O -0.451443 1.558041 28 O -0.439881 1.455834 29 O -0.408474 1.373781 30 O -0.397518 1.222879 31 O -0.388483 1.335222 32 O -0.379532 1.738033 33 O -0.362681 1.577225 34 O -0.351210 2.030488 35 O -0.345828 1.372144 36 O -0.328503 2.080157 37 O -0.322521 1.474600 38 O -0.317248 1.376126 39 O -0.274650 1.485689 40 O -0.196482 1.364454 41 O -0.190515 1.731278 42 V -0.004620 1.485932 43 V 0.015432 1.609505 44 V 0.081001 0.915247 45 V 0.109308 1.687709 46 V 0.112676 1.183768 47 V 0.119650 0.934080 48 V 0.130578 1.027784 49 V 0.133834 1.168550 50 V 0.145663 1.769724 51 V 0.154505 1.476259 52 V 0.169648 1.340497 53 V 0.171652 1.165945 54 V 0.175191 1.480727 55 V 0.180018 1.673983 56 V 0.197235 1.280006 57 V 0.202998 1.210211 58 V 0.212507 2.247428 59 V 0.242897 1.377319 60 V 0.243186 1.426400 61 V 0.247893 1.298380 62 V 0.305768 1.659867 63 V 0.317429 1.461580 64 V 0.328672 1.784379 65 V 0.375845 2.420548 66 V 0.435524 1.974857 67 V 0.470780 1.836065 68 V 0.482678 1.849515 69 V 0.487318 1.723775 70 V 0.505735 1.943574 71 V 0.530408 2.089235 72 V 0.534096 2.108647 73 V 0.546822 2.682768 74 V 0.570172 2.010597 75 V 0.573647 2.105154 76 V 0.582499 1.892906 77 V 0.582920 2.333181 78 V 0.605968 2.037505 79 V 0.626449 1.941507 80 V 0.646685 2.544747 81 V 0.651716 2.585749 82 V 0.680283 2.396474 83 V 0.691773 2.207464 84 V 0.725479 2.419978 85 V 0.738150 2.502928 86 V 0.747107 2.102223 87 V 0.763057 2.595404 88 V 0.804860 2.689976 89 V 0.813029 2.493352 90 V 0.824738 2.636215 91 V 0.835676 2.550316 92 V 0.847814 2.543819 93 V 0.849115 2.717498 94 V 0.859113 2.467551 95 V 0.866605 2.758925 96 V 0.882298 2.477132 97 V 0.888054 2.763390 98 V 0.891083 2.716573 99 V 0.897250 2.421024 100 V 0.904017 2.640420 101 V 0.919500 2.645890 102 V 0.950551 2.581714 103 V 0.962275 2.723172 104 V 0.973369 2.502666 105 V 0.985605 2.701780 106 V 1.011357 2.626883 107 V 1.053436 2.444093 108 V 1.076114 2.863431 109 V 1.120435 2.670292 110 V 1.129671 2.448788 111 V 1.140316 2.491343 112 V 1.148105 2.912360 113 V 1.199614 2.731642 114 V 1.202987 2.410012 115 V 1.251518 2.443008 116 V 1.289970 2.614541 117 V 1.314329 3.088313 118 V 1.329325 2.513757 119 V 1.399918 2.550921 120 V 1.415033 2.593790 121 V 1.441400 2.613810 122 V 1.462976 2.614750 123 V 1.486729 2.665674 124 V 1.533140 2.751278 125 V 1.563859 2.815554 126 V 1.584153 2.784683 127 V 1.629002 2.826465 128 V 1.644023 2.794669 129 V 1.679858 2.875099 130 V 1.732425 2.883873 131 V 1.746846 2.873352 132 V 1.759802 3.108720 133 V 1.792158 3.008155 134 V 1.857995 3.081152 135 V 1.870895 3.167631 136 V 1.893813 3.375211 137 V 1.898637 3.266036 138 V 1.944172 3.272840 139 V 1.961286 3.454030 140 V 1.963134 3.439910 141 V 1.988869 3.731267 142 V 2.013159 3.677585 143 V 2.015461 3.676363 144 V 2.023242 3.500480 145 V 2.059253 3.569058 146 V 2.077816 3.498402 147 V 2.098813 3.469746 148 V 2.113565 3.535459 149 V 2.181236 3.674431 150 V 2.183730 3.631568 151 V 2.237842 3.551375 152 V 2.261894 3.625863 153 V 2.278218 3.580914 154 V 2.279624 3.533974 155 V 2.316283 3.724488 156 V 2.318615 3.591504 157 V 2.372397 3.754117 158 V 2.414592 3.847201 159 V 2.448604 3.809395 160 V 2.459892 3.794919 161 V 2.464065 3.874418 162 V 2.482329 3.840166 163 V 2.510890 4.035286 164 V 2.550414 3.953404 165 V 2.590775 4.382853 166 V 2.633655 4.414809 167 V 2.648745 4.252934 168 V 2.674129 4.230540 169 V 2.691907 4.389543 170 V 2.701510 4.314831 171 V 2.754756 4.306821 172 V 2.767597 4.287618 173 V 2.803457 4.638533 174 V 2.888682 4.501865 175 V 2.896744 4.660076 176 V 2.943394 4.756896 177 V 3.132755 4.935426 178 V 3.137584 4.878531 179 V 4.011886 10.923892 180 V 4.124316 10.774104 181 V 4.127733 10.127358 182 V 4.223122 10.317910 183 V 4.288358 10.231828 184 V 4.360764 10.435633 185 V 4.379910 10.329744 186 V 4.448624 10.394577 187 V 4.509003 10.502707 188 V 4.603259 10.567482 189 V 4.870957 11.529674 Total kinetic energy from orbitals= 4.958692872816D+02 1|1| IMPERIAL COLLEGE-CHWS-293|SP|RB3LYP|6-31G(d)|C9H12O2|FP1615|23-Fe b-2018|0||# b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine p op=full gfprint||Title Card Required||0,1|C,0,-1.85897435,1.61172159,0 .|C,0,-1.56975435,0.95107659,-1.179811|C,0,-1.56985235,3.68386259,-1.1 7976|C,0,-1.85903635,3.02315659,0.000029|H,0,-2.30223635,1.07206259,0. 833082|H,0,-2.30235635,3.56274559,0.833124|C,0,-3.42844235,1.62576959, -2.356673|H,0,-3.12323635,0.97124059,-3.161579|C,0,-3.42843035,3.00916 859,-2.356666|H,0,-3.12322635,3.66370059,-3.161571|H,0,-1.70873635,4.7 6280259,-1.22834|H,0,-1.70856435,-0.12787241,-1.228422|C,0,-0.58989335 ,3.09635159,-2.174052|H,0,-0.78973835,3.48935059,-3.179995|H,0,0.41513 465,3.45737359,-1.915641|C,0,-0.58990235,1.53869059,-2.174147|H,0,-0.7 8988135,1.14581359,-3.180112|H,0,0.41515565,1.17762459,-1.915915|O,0,- 4.46981135,1.17341859,-1.549843|O,0,-4.46982035,3.46151559,-1.549849|C ,0,-5.26010135,2.31747759,-1.259185|H,0,-5.52830835,2.31746859,-0.1990 15|H,0,-6.16729835,2.31747559,-1.889245||Version=EM64W-G09RevD.01|Stat e=1-A|HF=-500.4905865|RMSD=4.001e-009|Dipole=0.050244,0.0000159,-0.426 4712|Quadrupole=0.3299878,-1.7111494,1.3811616,-0.0000593,-2.099853,-0 .0000372|PG=C01 [X(C9H12O2)]||@ "A LITTLE BIT GOES A LONG WAY" R.S. MULLIKEN AS QUOTED BY K. RUEDENBERG Job cpu time: 0 days 0 hours 1 minutes 53.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Feb 23 18:03:04 2018.