Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 3624. 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 08-Mar-2017 ****************************************** %chk=\\icnas2.cc.ic.ac.uk\gcf14\gaussain\Exercise 1\New folder\GOOD FILES\gcf14 endo b3lyp ts jmol.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 -2.26006 0.69659 0. C -2.25997 2.10803 -0.0001 C -1.97082 2.76861 -1.17996 C -0.99106 2.18093 -2.17435 C -0.99099 0.62327 -2.1741 C -1.97095 0.03582 -1.17977 H -2.70335 0.15706 0.83315 H -2.70315 2.64775 0.83299 H -2.10963 3.84756 -1.22864 H -1.19118 2.57369 -3.18034 H -1.19077 0.23016 -3.18 H -2.10985 -1.04312 -1.22829 H 0.01405 0.26233 -1.9156 H 0.01401 2.54206 -1.91629 C -3.82958 2.09391 -2.35672 C -3.82957 0.71051 -2.35674 C -5.66122 1.40219 -1.25913 O -4.87101 2.54625 -1.54996 H -3.52433 2.74848 -3.16158 H -3.52433 0.056 -3.16164 H -5.92916 1.40216 -0.19889 O -4.87103 0.25813 -1.55004 H -6.56858 1.40223 -1.88895 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.260062 0.696594 0.000000 2 6 0 -2.259967 2.108033 -0.000097 3 6 0 -1.970816 2.768613 -1.179960 4 6 0 -0.991063 2.180930 -2.174355 5 6 0 -0.990986 0.623270 -2.174095 6 6 0 -1.970947 0.035824 -1.179769 7 1 0 -2.703352 0.157059 0.833147 8 1 0 -2.703149 2.647746 0.832993 9 1 0 -2.109627 3.847559 -1.228639 10 1 0 -1.191185 2.573694 -3.180337 11 1 0 -1.190768 0.230156 -3.180005 12 1 0 -2.109855 -1.043116 -1.228293 13 1 0 0.014048 0.262327 -1.915596 14 1 0 0.014014 2.542064 -1.916293 15 6 0 -3.829577 2.093910 -2.356723 16 6 0 -3.829567 0.710513 -2.356736 17 6 0 -5.661219 1.402193 -1.259126 18 8 0 -4.871006 2.546247 -1.549960 19 1 0 -3.524328 2.748475 -3.161579 20 1 0 -3.524330 0.056002 -3.161644 21 1 0 -5.929159 1.402160 -0.198885 22 8 0 -4.871034 0.258125 -1.550045 23 1 0 -6.568576 1.402226 -1.888949 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.411438 0.000000 3 C 2.401922 1.382770 0.000000 4 C 2.922572 2.518497 1.514631 0.000000 5 C 2.518456 2.922516 2.559466 1.557659 0.000000 6 C 1.382772 2.401918 2.732789 2.559464 1.514630 7 H 1.087078 2.167299 3.377785 4.009121 3.491856 8 H 2.167302 1.087079 2.145438 3.491890 4.009063 9 H 3.385375 2.134917 1.088927 2.218832 3.541367 10 H 3.844547 3.387191 2.155766 1.098323 2.203804 11 H 3.387239 3.844662 3.324518 2.203799 1.098320 12 H 2.134914 3.385371 3.814570 3.541355 2.218841 13 H 3.004941 3.499559 3.280597 2.181340 1.098724 14 H 3.499908 3.005192 2.129098 1.098724 2.181343 15 C 3.157532 2.831530 2.301084 2.845697 3.202145 16 C 2.831563 3.157603 3.012563 3.201951 2.845789 17 C 3.694745 3.694845 3.936045 4.822285 4.822340 18 O 3.555365 3.067839 2.932141 3.946807 4.375150 19 H 3.975445 3.464642 2.518058 2.777436 3.451006 20 H 3.464784 3.975529 3.701181 3.450725 2.777567 21 H 3.741611 3.741757 4.300952 5.375291 5.375284 22 O 3.067910 3.555583 3.853671 4.375056 3.946840 23 H 4.757030 4.757103 4.848615 5.638837 5.638935 6 7 8 9 10 6 C 0.000000 7 H 2.145447 0.000000 8 H 3.377790 2.490687 0.000000 9 H 3.814570 4.268871 2.458078 0.000000 10 H 3.324318 4.922889 4.289329 2.505074 0.000000 11 H 2.155781 4.289364 4.923027 4.211619 2.343538 12 H 1.088926 2.458087 4.268882 4.890675 4.211383 13 H 2.129073 3.866644 4.541820 4.223245 2.897339 14 H 3.280820 4.542218 3.866874 2.585930 1.746801 15 C 3.012548 3.898082 3.427808 2.702977 2.805290 16 C 2.301071 3.427832 3.898213 3.751247 3.333290 17 C 3.935907 3.831050 3.831259 4.312140 5.004466 18 O 3.853519 4.010754 3.223100 3.069507 4.024919 19 H 3.701222 4.831902 4.079349 2.635455 2.339756 20 H 2.518181 4.079532 4.832040 4.484841 3.432592 21 H 4.300750 3.608490 3.608795 4.650720 5.719261 22 O 2.932069 3.223145 4.011095 4.540121 4.643383 23 H 4.848523 4.888783 4.888948 5.128146 5.652995 11 12 13 14 15 11 H 0.000000 12 H 2.505020 0.000000 13 H 1.746810 2.586026 0.000000 14 H 2.897134 4.223467 2.279737 0.000000 15 C 3.333870 3.751231 4.280508 3.894614 0.000000 16 C 2.805668 2.702963 3.894721 4.280384 1.383397 17 C 5.004836 4.311922 5.825711 5.825757 2.244572 18 O 4.643865 4.539929 5.404973 4.898738 1.392856 19 H 3.433333 4.484919 4.500390 3.756755 1.081401 20 H 2.340124 2.635650 3.757037 4.500143 2.212271 21 H 5.719530 4.650391 6.290312 6.290483 3.089179 22 O 4.025160 3.069343 4.898742 5.405017 2.259528 23 H 5.653441 5.127997 6.680645 6.680603 2.863451 16 17 18 19 20 16 C 0.000000 17 C 2.244575 0.000000 18 O 2.259514 1.420521 0.000000 19 H 2.212292 3.161979 2.109918 0.000000 20 H 1.081402 3.161977 3.257665 2.692473 0.000000 21 H 3.089172 1.093573 2.062529 4.046398 4.046392 22 O 1.392860 1.420534 2.288121 3.257684 2.109910 23 H 2.863470 1.104524 2.074955 3.563625 3.563637 21 22 23 21 H 0.000000 22 O 2.062541 0.000000 23 H 1.806977 2.074963 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 0.813692 -0.705608 1.466820 2 6 0 0.813787 0.705830 1.466724 3 6 0 1.102938 1.366411 0.286860 4 6 0 2.082691 0.778727 -0.707534 5 6 0 2.082768 -0.778932 -0.707275 6 6 0 1.102806 -1.366379 0.287052 7 1 0 0.370402 -1.245144 2.299968 8 1 0 0.370605 1.245543 2.299814 9 1 0 0.964127 2.445356 0.238182 10 1 0 1.882569 1.171491 -1.713517 11 1 0 1.882986 -1.172047 -1.713184 12 1 0 0.963899 -2.445318 0.238528 13 1 0 3.087802 -1.139876 -0.448776 14 1 0 3.087768 1.139862 -0.449472 15 6 0 -0.755824 0.691707 -0.889902 16 6 0 -0.755813 -0.691690 -0.889916 17 6 0 -2.587465 -0.000010 0.207695 18 8 0 -1.797252 1.144044 -0.083139 19 1 0 -0.450574 1.346273 -1.694759 20 1 0 -0.450576 -1.346201 -1.694824 21 1 0 -2.855405 -0.000043 1.267935 22 8 0 -1.797280 -1.144077 -0.083224 23 1 0 -3.494822 0.000024 -0.422128 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9533833 0.9990266 0.9274121 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 1.537654968863 -1.333406087624 2.771889023036 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 1.537654968863 -1.333406087624 2.771889023036 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 1.537654968863 -1.333406087624 2.771889023036 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 1.537654968863 -1.333406087624 2.771889023036 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 1.537834630004 1.333825941814 2.771706040855 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 1.537834630004 1.333825941814 2.771706040855 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 1.537834630004 1.333825941814 2.771706040855 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 1.537834630004 1.333825941814 2.771706040855 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.084250719953 2.582141947772 0.542087132770 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 2.084250719953 2.582141947772 0.542087132770 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 2.084250719953 2.582141947772 0.542087132770 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.084250719953 2.582141947772 0.542087132770 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 3.935714847699 1.471581000981 -1.337046083586 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 3.935714847699 1.471581000981 -1.337046083586 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 3.935714847699 1.471581000981 -1.337046083586 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 3.935714847699 1.471581000981 -1.337046083586 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 3.935861126017 -1.471968314286 -1.336555661860 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 18 SP 3 bf 62 - 65 3.935861126017 -1.471968314286 -1.336555661860 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 19 SP 1 bf 66 - 69 3.935861126017 -1.471968314286 -1.336555661860 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 3.935861126017 -1.471968314286 -1.336555661860 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 2.084002230420 -2.582081634875 0.542449563345 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 22 SP 3 bf 77 - 80 2.084002230420 -2.582081634875 0.542449563345 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 23 SP 1 bf 81 - 84 2.084002230420 -2.582081634875 0.542449563345 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 2.084002230420 -2.582081634875 0.542449563345 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 0.699958212860 -2.352981062569 4.346309059417 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 0.699958212860 -2.352981062569 4.346309059417 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 0.700342383892 2.353735987162 4.346018438435 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 0.700342383892 2.353735987162 4.346018438435 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 1.821935628196 4.621053757917 0.450097872443 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 1.821935628196 4.621053757917 0.450097872443 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 3.557540247522 2.213797774475 -3.238077030630 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 3.557540247522 2.213797774475 -3.238077030630 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 3.558327952864 -2.214846981873 -3.237449433684 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 3.558327952864 -2.214846981873 -3.237449433684 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 1.821505377347 -4.620981897834 0.450752568062 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 1.821505377347 -4.620981897834 0.450752568062 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 5.835100044522 -2.154053116841 -0.848063100571 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 5.835100044522 -2.154053116841 -0.848063100571 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 5.835035159204 2.154026167364 -0.849379068055 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 5.835035159204 2.154026167364 -0.849379068055 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 -1.428299614908 1.307137439549 -1.681671375529 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 42 SP 3 bf 108 - 111 -1.428299614908 1.307137439549 -1.681671375529 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 43 SP 1 bf 112 - 115 -1.428299614908 1.307137439549 -1.681671375529 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 -1.428299614908 1.307137439549 -1.681671375529 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 -1.428280004332 -1.307104212479 -1.681697170291 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 -1.428280004332 -1.307104212479 -1.681697170291 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 -1.428280004332 -1.307104212479 -1.681697170291 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 -1.428280004332 -1.307104212479 -1.681697170291 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 -4.889600709385 -0.000018831398 0.392485943008 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C17 Shell 50 SP 3 bf 138 - 141 -4.889600709385 -0.000018831398 0.392485943008 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C17 Shell 51 SP 1 bf 142 - 145 -4.889600709385 -0.000018831398 0.392485943008 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 -4.889600709385 -0.000018831398 0.392485943008 0.8000000000D+00 0.1000000000D+01 Atom O18 Shell 53 S 6 bf 152 - 152 -3.396314548786 2.161930474022 -0.157110629329 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 O18 Shell 54 SP 3 bf 153 - 156 -3.396314548786 2.161930474022 -0.157110629329 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 O18 Shell 55 SP 1 bf 157 - 160 -3.396314548786 2.161930474022 -0.157110629329 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O18 Shell 56 D 1 bf 161 - 166 -3.396314548786 2.161930474022 -0.157110629329 0.8000000000D+00 0.1000000000D+01 Atom H19 Shell 57 S 3 bf 167 - 167 -0.851461145220 2.544086837249 -3.202629831288 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 58 S 1 bf 168 - 168 -0.851461145220 2.544086837249 -3.202629831288 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 59 S 3 bf 169 - 169 -0.851465935531 -2.543950660009 -3.202753154816 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 60 S 1 bf 170 - 170 -0.851465935531 -2.543950660009 -3.202753154816 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 61 S 3 bf 171 - 171 -5.395934250684 -0.000080813489 2.396050160796 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 62 S 1 bf 172 - 172 -5.395934250684 -0.000080813489 2.396050160796 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 63 S 6 bf 173 - 173 -3.396367563511 -2.161992292978 -0.157271180462 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O22 Shell 64 SP 3 bf 174 - 177 -3.396367563511 -2.161992292978 -0.157271180462 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O22 Shell 65 SP 1 bf 178 - 181 -3.396367563511 -2.161992292978 -0.157271180462 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 66 D 1 bf 182 - 187 -3.396367563511 -2.161992292978 -0.157271180462 0.8000000000D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -6.604255942587 0.000045063378 -0.797706472267 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 -6.604255942587 0.000045063378 -0.797706472267 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 649.1409076013 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=164757679. 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) = -500.490586542 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 -- -10.18579 -10.18562 -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 -0.60786 -0.60674 Alpha occ. eigenvalues -- -0.58530 -0.52881 -0.50066 -0.49469 -0.47085 Alpha occ. eigenvalues -- -0.45310 -0.45144 -0.43988 -0.40847 -0.39752 Alpha occ. eigenvalues -- -0.38849 -0.37954 -0.36267 -0.35121 -0.34583 Alpha occ. eigenvalues -- -0.32852 -0.32252 -0.31725 -0.27466 -0.19648 Alpha occ. eigenvalues -- -0.19050 Alpha virt. eigenvalues -- -0.00462 0.01544 0.08100 0.10930 0.11267 Alpha virt. eigenvalues -- 0.11965 0.13058 0.13383 0.14565 0.15450 Alpha virt. eigenvalues -- 0.16965 0.17166 0.17519 0.18002 0.19724 Alpha virt. eigenvalues -- 0.20300 0.21250 0.24290 0.24319 0.24789 Alpha virt. eigenvalues -- 0.30577 0.31743 0.32868 0.37584 0.43552 Alpha virt. eigenvalues -- 0.47078 0.48268 0.48732 0.50573 0.53041 Alpha virt. eigenvalues -- 0.53409 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 0.69178 0.72548 0.73815 0.74712 Alpha virt. eigenvalues -- 0.76305 0.80486 0.81303 0.82473 0.83568 Alpha virt. eigenvalues -- 0.84780 0.84912 0.85910 0.86660 0.88228 Alpha virt. eigenvalues -- 0.88805 0.89108 0.89725 0.90402 0.91950 Alpha virt. eigenvalues -- 0.95054 0.96227 0.97336 0.98562 1.01137 Alpha virt. eigenvalues -- 1.05342 1.07608 1.12044 1.12966 1.14031 Alpha virt. eigenvalues -- 1.14809 1.19961 1.20298 1.25151 1.28994 Alpha virt. eigenvalues -- 1.31434 1.32930 1.39993 1.41504 1.44140 Alpha virt. eigenvalues -- 1.46297 1.48673 1.53314 1.56380 1.58418 Alpha virt. eigenvalues -- 1.62900 1.64400 1.67990 1.73242 1.74686 Alpha virt. eigenvalues -- 1.75981 1.79213 1.85799 1.87091 1.89380 Alpha virt. eigenvalues -- 1.89864 1.94416 1.96129 1.96313 1.98887 Alpha virt. eigenvalues -- 2.01313 2.01545 2.02324 2.05922 2.07781 Alpha virt. eigenvalues -- 2.09879 2.11357 2.18127 2.18377 2.23782 Alpha virt. eigenvalues -- 2.26188 2.27816 2.27959 2.31626 2.31861 Alpha virt. eigenvalues -- 2.37238 2.41459 2.44860 2.45988 2.46407 Alpha virt. eigenvalues -- 2.48232 2.51087 2.55045 2.59077 2.63366 Alpha virt. eigenvalues -- 2.64873 2.67413 2.69191 2.70150 2.75474 Alpha virt. eigenvalues -- 2.76763 2.80343 2.88866 2.89672 2.94339 Alpha virt. eigenvalues -- 3.13274 3.13758 4.01192 4.12428 4.12772 Alpha virt. eigenvalues -- 4.22313 4.28834 4.36076 4.37989 4.44862 Alpha virt. eigenvalues -- 4.50900 4.60325 4.87093 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 -0.00002 0.00002 -0.00001 -0.00016 -0.00014 2 2S -0.00007 0.00004 -0.00003 -0.00021 -0.00032 3 2PX 0.00004 -0.00006 0.00004 0.00009 0.00005 4 2PY 0.00001 -0.00001 -0.00001 -0.00005 0.00002 5 2PZ 0.00001 -0.00003 -0.00004 0.00014 0.00014 6 3S 0.00087 -0.00042 0.00056 0.00021 0.00042 7 3PX -0.00008 0.00006 -0.00004 -0.00015 -0.00041 8 3PY 0.00026 -0.00013 -0.00012 0.00018 0.00110 9 3PZ -0.00027 0.00019 -0.00013 -0.00010 0.00054 10 4XX -0.00006 0.00007 -0.00003 -0.00015 -0.00015 11 4YY -0.00003 0.00005 -0.00001 -0.00013 -0.00013 12 4ZZ -0.00002 0.00003 0.00000 -0.00014 -0.00013 13 4XY -0.00002 0.00000 0.00001 -0.00004 -0.00008 14 4XZ -0.00001 0.00002 -0.00002 0.00003 0.00002 15 4YZ -0.00001 0.00001 0.00000 0.00004 -0.00001 16 2 C 1S 0.00003 0.00000 -0.00001 -0.00016 0.00014 17 2S 0.00008 -0.00001 -0.00003 -0.00021 0.00032 18 2PX -0.00007 -0.00002 0.00004 0.00009 -0.00005 19 2PY 0.00001 0.00000 0.00001 0.00005 0.00002 20 2PZ -0.00002 -0.00001 -0.00004 0.00014 -0.00014 21 3S -0.00094 0.00024 0.00056 0.00021 -0.00042 22 3PX 0.00010 -0.00001 -0.00004 -0.00015 0.00041 23 3PY 0.00028 -0.00007 0.00012 -0.00018 0.00110 24 3PZ 0.00033 -0.00003 -0.00013 -0.00010 -0.00054 25 4XX 0.00009 0.00002 -0.00003 -0.00015 0.00015 26 4YY 0.00005 0.00002 -0.00001 -0.00013 0.00013 27 4ZZ 0.00004 0.00001 0.00000 -0.00014 0.00013 28 4XY -0.00001 0.00001 -0.00001 0.00004 -0.00008 29 4XZ 0.00001 0.00001 -0.00002 0.00003 -0.00002 30 4YZ -0.00001 0.00000 0.00000 -0.00004 -0.00001 31 3 C 1S -0.00002 -0.00001 0.00003 -0.00009 0.00025 32 2S -0.00013 -0.00005 0.00008 -0.00040 0.00093 33 2PX -0.00004 -0.00003 -0.00004 0.00006 -0.00005 34 2PY 0.00000 0.00001 -0.00004 0.00007 -0.00013 35 2PZ 0.00003 0.00002 0.00002 -0.00002 0.00005 36 3S 0.00101 0.00022 -0.00054 0.00143 -0.00417 37 3PX 0.00009 0.00012 0.00018 -0.00077 0.00116 38 3PY -0.00042 -0.00007 0.00038 -0.00028 0.00133 39 3PZ -0.00024 -0.00021 -0.00029 -0.00005 -0.00027 40 4XX 0.00003 0.00001 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 -0.00001 -0.00001 -0.00002 0.00008 -0.00014 44 4XZ -0.00001 0.00000 0.00002 0.00008 -0.00009 45 4YZ 0.00002 0.00002 0.00002 0.00000 -0.00001 46 4 C 1S 0.00002 0.00001 -0.00002 -0.00007 0.00005 47 2S 0.00013 0.00003 -0.00005 -0.00009 0.00007 48 2PX -0.00001 0.00001 0.00004 0.00013 -0.00014 49 2PY -0.00001 -0.00002 0.00004 0.00003 0.00001 50 2PZ -0.00002 -0.00001 0.00000 0.00005 0.00002 51 3S -0.00095 -0.00017 0.00003 0.00021 0.00052 52 3PX 0.00047 0.00004 -0.00022 -0.00031 0.00031 53 3PY 0.00012 -0.00012 -0.00017 0.00004 -0.00019 54 3PZ -0.00016 -0.00007 0.00006 -0.00029 0.00052 55 4XX 0.00001 0.00000 -0.00002 -0.00005 0.00006 56 4YY 0.00002 0.00001 -0.00003 -0.00005 0.00004 57 4ZZ 0.00002 0.00001 -0.00002 -0.00003 0.00003 58 4XY 0.00000 0.00001 0.00000 -0.00003 -0.00001 59 4XZ 0.00003 0.00001 -0.00002 0.00002 -0.00001 60 4YZ 0.00000 0.00000 -0.00001 0.00002 -0.00005 61 5 C 1S -0.00002 0.00002 -0.00002 -0.00007 -0.00005 62 2S -0.00008 0.00011 -0.00005 -0.00009 -0.00007 63 2PX 0.00002 0.00000 0.00004 0.00013 0.00014 64 2PY 0.00001 0.00002 -0.00004 -0.00003 0.00001 65 2PZ 0.00001 -0.00002 0.00000 0.00005 -0.00002 66 3S 0.00061 -0.00074 0.00003 0.00021 -0.00052 67 3PX -0.00033 0.00033 -0.00022 -0.00031 -0.00031 68 3PY 0.00017 0.00001 0.00017 -0.00004 -0.00019 69 3PZ 0.00008 -0.00015 0.00006 -0.00029 -0.00052 70 4XX -0.00001 0.00000 -0.00002 -0.00005 -0.00006 71 4YY -0.00001 0.00002 -0.00003 -0.00005 -0.00005 72 4ZZ -0.00001 0.00002 -0.00002 -0.00003 -0.00003 73 4XY -0.00001 -0.00001 0.00000 0.00003 -0.00001 74 4XZ -0.00001 0.00003 -0.00002 0.00002 0.00001 75 4YZ 0.00000 0.00000 0.00001 -0.00002 -0.00005 76 6 C 1S 0.00001 -0.00002 0.00003 -0.00009 -0.00025 77 2S 0.00006 -0.00012 0.00008 -0.00040 -0.00093 78 2PX 0.00001 -0.00005 -0.00004 0.00006 0.00005 79 2PY -0.00001 -0.00001 0.00004 -0.00007 -0.00013 80 2PZ -0.00001 0.00003 0.00002 -0.00002 -0.00005 81 3S -0.00063 0.00082 -0.00054 0.00143 0.00418 82 3PX 0.00001 0.00015 0.00018 -0.00077 -0.00116 83 3PY -0.00028 0.00032 -0.00038 0.00028 0.00133 84 3PZ 0.00004 -0.00032 -0.00029 -0.00005 0.00027 85 4XX -0.00002 0.00003 0.00004 -0.00002 -0.00012 86 4YY -0.00001 -0.00001 0.00003 -0.00018 -0.00028 87 4ZZ 0.00000 0.00000 0.00002 -0.00010 -0.00022 88 4XY 0.00000 0.00001 0.00002 -0.00008 -0.00014 89 4XZ 0.00001 -0.00001 0.00002 0.00008 0.00009 90 4YZ 0.00000 -0.00002 -0.00002 0.00000 -0.00001 91 7 H 1S -0.00003 0.00003 -0.00003 0.00005 -0.00002 92 2S 0.00004 -0.00004 -0.00005 -0.00014 -0.00013 93 8 H 1S 0.00004 0.00000 -0.00003 0.00005 0.00002 94 2S -0.00006 0.00000 -0.00005 -0.00014 0.00013 95 9 H 1S 0.00000 0.00000 0.00000 -0.00007 0.00009 96 2S 0.00007 0.00001 -0.00012 -0.00011 0.00006 97 10 H 1S 0.00007 0.00001 -0.00002 -0.00003 0.00004 98 2S -0.00003 0.00000 0.00007 -0.00036 0.00027 99 11 H 1S -0.00004 0.00005 -0.00002 -0.00003 -0.00004 100 2S 0.00002 -0.00002 0.00007 -0.00036 -0.00027 101 12 H 1S 0.00000 0.00000 0.00000 -0.00007 -0.00009 102 2S -0.00004 0.00005 -0.00012 -0.00010 -0.00006 103 13 H 1S 0.00000 0.00001 0.00002 0.00000 0.00004 104 2S 0.00009 -0.00005 0.00011 0.00031 0.00036 105 14 H 1S 0.00001 0.00001 0.00002 0.00000 -0.00004 106 2S -0.00010 0.00002 0.00011 0.00031 -0.00036 107 15 C 1S 0.00001 0.00000 -0.00012 0.70232 -0.70209 108 2S 0.00023 0.00018 -0.00037 0.03461 -0.03560 109 2PX -0.00025 -0.00006 -0.00006 -0.00042 0.00032 110 2PY 0.00013 0.00009 0.00013 0.00028 0.00007 111 2PZ 0.00021 0.00007 0.00003 0.00052 -0.00061 112 3S -0.00198 -0.00067 0.00100 -0.00728 0.01890 113 3PX 0.00113 -0.00002 -0.00084 -0.00005 0.00002 114 3PY -0.00061 -0.00030 -0.00051 -0.00055 -0.00447 115 3PZ -0.00104 -0.00001 0.00071 -0.00060 0.00249 116 4XX 0.00010 0.00002 0.00012 -0.00638 0.00611 117 4YY 0.00013 -0.00006 -0.00003 -0.00643 0.00589 118 4ZZ 0.00006 -0.00002 -0.00006 -0.00635 0.00607 119 4XY -0.00006 -0.00005 0.00004 -0.00009 -0.00004 120 4XZ -0.00007 -0.00002 -0.00017 -0.00020 0.00020 121 4YZ 0.00005 0.00006 0.00001 -0.00008 0.00001 122 16 C 1S -0.00001 0.00000 -0.00012 0.70175 0.70266 123 2S -0.00006 0.00029 -0.00037 0.03459 0.03563 124 2PX 0.00015 -0.00021 -0.00006 -0.00042 -0.00032 125 2PY 0.00004 -0.00015 -0.00013 -0.00028 0.00007 126 2PZ -0.00012 0.00019 0.00003 0.00052 0.00061 127 3S 0.00108 -0.00179 0.00100 -0.00726 -0.01891 128 3PX -0.00087 0.00072 -0.00084 -0.00005 -0.00002 129 3PY -0.00027 0.00062 0.00051 0.00056 -0.00447 130 3PZ 0.00078 -0.00068 0.00071 -0.00060 -0.00249 131 4XX -0.00006 0.00008 0.00012 -0.00638 -0.00611 132 4YY -0.00014 0.00004 -0.00003 -0.00642 -0.00590 133 4ZZ -0.00006 0.00002 -0.00006 -0.00634 -0.00608 134 4XY -0.00001 0.00008 -0.00004 0.00009 -0.00004 135 4XZ 0.00004 -0.00006 -0.00017 -0.00020 -0.00020 136 4YZ 0.00000 -0.00008 -0.00001 0.00008 0.00001 137 17 C 1S 0.00001 0.00002 0.99303 0.00002 0.00000 138 2S 0.00013 0.00034 0.04865 -0.00053 0.00000 139 2PX 0.00009 0.00025 0.00093 0.00014 0.00000 140 2PY 0.00041 -0.00015 0.00000 0.00000 0.00006 141 2PZ -0.00002 -0.00007 -0.00040 -0.00001 0.00000 142 3S -0.00095 -0.00260 -0.01346 0.00269 0.00000 143 3PX -0.00028 -0.00077 -0.00021 0.00125 0.00000 144 3PY -0.00111 0.00041 0.00000 0.00000 0.00003 145 3PZ 0.00004 0.00010 0.00041 -0.00115 0.00000 146 4XX 0.00005 0.00014 -0.00874 0.00017 0.00000 147 4YY 0.00013 0.00035 -0.00875 0.00004 0.00000 148 4ZZ 0.00001 0.00003 -0.00880 -0.00009 0.00000 149 4XY 0.00018 -0.00007 0.00000 0.00000 -0.00004 150 4XZ -0.00002 -0.00005 -0.00006 -0.00017 0.00000 151 4YZ -0.00006 0.00002 0.00000 0.00000 0.00006 152 18 O 1S 0.90061 0.41758 -0.00006 -0.00003 0.00013 153 2S 0.02333 0.01090 0.00005 0.00011 0.00031 154 2PX 0.00012 0.00004 0.00010 -0.00010 0.00007 155 2PY -0.00080 -0.00035 0.00000 -0.00004 -0.00003 156 2PZ -0.00028 -0.00013 -0.00005 0.00003 -0.00003 157 3S 0.01205 0.00530 0.00094 -0.00008 -0.00324 158 3PX 0.00030 0.00007 -0.00058 0.00043 -0.00052 159 3PY -0.00031 -0.00024 0.00045 0.00072 0.00023 160 3PZ -0.00022 -0.00001 0.00039 0.00015 0.00001 161 4XX -0.00746 -0.00345 -0.00014 -0.00015 0.00034 162 4YY -0.00750 -0.00352 -0.00049 -0.00001 0.00036 163 4ZZ -0.00746 -0.00340 0.00005 -0.00005 0.00033 164 4XY -0.00003 -0.00001 -0.00025 0.00004 -0.00016 165 4XZ 0.00002 0.00002 0.00017 0.00030 -0.00037 166 4YZ -0.00001 -0.00001 0.00004 -0.00014 0.00014 167 19 H 1S 0.00005 0.00010 0.00006 -0.00027 0.00008 168 2S -0.00004 0.00009 0.00031 0.00163 -0.00089 169 20 H 1S 0.00002 0.00011 0.00006 -0.00027 -0.00008 170 2S 0.00009 0.00005 0.00031 0.00163 0.00089 171 21 H 1S 0.00006 0.00016 -0.00017 -0.00001 0.00000 172 2S 0.00005 0.00013 0.00248 0.00023 0.00000 173 22 O 1S -0.41756 0.90061 -0.00006 -0.00003 -0.00013 174 2S -0.01076 0.02339 0.00005 0.00011 -0.00031 175 2PX -0.00006 0.00011 0.00010 -0.00010 -0.00007 176 2PY -0.00039 0.00078 0.00000 0.00004 -0.00003 177 2PZ 0.00013 -0.00028 -0.00005 0.00003 0.00003 178 3S -0.00577 0.01183 0.00094 -0.00008 0.00324 179 3PX -0.00018 0.00025 -0.00058 0.00043 0.00052 180 3PY -0.00008 0.00039 -0.00045 -0.00072 0.00023 181 3PZ 0.00016 -0.00015 0.00039 0.00015 -0.00001 182 4XX 0.00346 -0.00746 -0.00014 -0.00015 -0.00034 183 4YY 0.00345 -0.00753 -0.00049 -0.00001 -0.00036 184 4ZZ 0.00349 -0.00742 0.00005 -0.00005 -0.00033 185 4XY -0.00002 0.00002 0.00025 -0.00004 -0.00016 186 4XZ 0.00000 0.00003 0.00017 0.00030 0.00037 187 4YZ 0.00000 0.00001 -0.00004 0.00014 0.00014 188 23 H 1S 0.00004 0.00012 -0.00010 -0.00021 0.00000 189 2S -0.00001 -0.00001 0.00276 -0.00014 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18579 -10.18562 -10.18500 -10.18498 -10.16918 1 1 C 1S 0.00169 0.00237 -0.01203 0.01424 0.69950 2 2S -0.00016 -0.00012 -0.00036 0.00036 0.03478 3 2PX -0.00008 -0.00004 0.00011 -0.00009 -0.00014 4 2PY -0.00005 0.00007 -0.00011 0.00010 -0.00011 5 2PZ 0.00013 0.00012 0.00004 0.00013 -0.00024 6 3S 0.00107 0.00157 -0.00914 0.00372 -0.00777 7 3PX 0.00017 0.00023 -0.00197 0.00056 0.00012 8 3PY -0.00017 -0.00036 -0.00029 -0.00047 0.00069 9 3PZ -0.00065 -0.00122 0.00496 -0.00172 0.00107 10 4XX -0.00012 -0.00009 0.00013 -0.00021 -0.00668 11 4YY -0.00005 -0.00011 0.00023 -0.00021 -0.00673 12 4ZZ -0.00008 -0.00007 0.00017 -0.00024 -0.00657 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 -0.00001 0.00009 -0.00017 -0.00001 16 2 C 1S 0.00172 -0.00235 0.01385 0.01248 0.70408 17 2S -0.00016 0.00012 0.00041 0.00031 0.03501 18 2PX -0.00008 0.00004 -0.00012 -0.00007 -0.00014 19 2PY 0.00005 0.00007 -0.00012 -0.00008 0.00011 20 2PZ 0.00013 -0.00012 -0.00002 0.00014 -0.00024 21 3S 0.00109 -0.00155 0.00956 0.00244 -0.00788 22 3PX 0.00017 -0.00023 0.00203 0.00029 0.00012 23 3PY 0.00018 -0.00036 -0.00022 0.00051 -0.00067 24 3PZ -0.00066 0.00121 -0.00515 -0.00104 0.00109 25 4XX -0.00012 0.00009 -0.00015 -0.00019 -0.00672 26 4YY -0.00005 0.00011 -0.00026 -0.00018 -0.00677 27 4ZZ -0.00008 0.00007 -0.00020 -0.00022 -0.00661 28 4XY -0.00003 0.00005 -0.00005 -0.00002 -0.00002 29 4XZ -0.00004 0.00002 0.00002 0.00003 -0.00010 30 4YZ -0.00004 -0.00002 0.00011 0.00015 0.00001 31 3 C 1S 0.10638 -0.13848 0.73395 0.64570 -0.01376 32 2S 0.00518 -0.00697 0.03819 0.03229 -0.00088 33 2PX -0.00010 -0.00003 -0.00015 -0.00003 -0.00002 34 2PY 0.00007 0.00006 -0.00053 -0.00009 0.00007 35 2PZ 0.00007 0.00009 -0.00021 -0.00009 -0.00022 36 3S 0.00062 -0.00022 -0.02374 -0.01128 0.00250 37 3PX 0.00119 -0.00127 -0.00034 -0.00001 -0.00029 38 3PY -0.00040 0.00037 0.00693 0.00072 -0.00055 39 3PZ -0.00132 0.00138 -0.00020 0.00033 0.00130 40 4XX -0.00119 0.00140 -0.00630 -0.00596 0.00008 41 4YY -0.00101 0.00131 -0.00612 -0.00573 0.00013 42 4ZZ -0.00115 0.00133 -0.00619 -0.00576 -0.00004 43 4XY 0.00003 -0.00001 -0.00004 -0.00003 0.00000 44 4XZ 0.00006 -0.00009 -0.00002 -0.00013 0.00003 45 4YZ -0.00007 0.00007 -0.00002 -0.00008 0.00003 46 4 C 1S 0.69818 -0.68426 -0.14612 -0.09614 0.00025 47 2S 0.03501 -0.03499 -0.00807 -0.00500 -0.00017 48 2PX -0.00009 0.00014 -0.00012 0.00007 -0.00002 49 2PY 0.00002 0.00006 -0.00008 0.00000 0.00004 50 2PZ 0.00002 -0.00002 0.00002 -0.00008 -0.00010 51 3S -0.00991 0.01793 0.01318 0.00370 0.00051 52 3PX 0.00049 -0.00111 -0.00259 -0.00090 -0.00003 53 3PY -0.00102 -0.00255 -0.00154 0.00068 0.00004 54 3PZ -0.00032 0.00046 0.00319 0.00078 0.00041 55 4XX -0.00634 0.00594 0.00117 0.00073 -0.00004 56 4YY -0.00665 0.00586 0.00109 0.00079 -0.00005 57 4ZZ -0.00634 0.00596 0.00108 0.00069 -0.00004 58 4XY 0.00006 0.00001 0.00015 0.00011 -0.00001 59 4XZ 0.00008 -0.00010 0.00005 0.00007 -0.00006 60 4YZ -0.00004 0.00000 -0.00014 -0.00010 0.00001 61 5 C 1S 0.68998 0.69253 0.13184 -0.11492 0.00025 62 2S 0.03459 0.03540 0.00732 -0.00604 -0.00017 63 2PX -0.00008 -0.00014 0.00013 0.00005 -0.00002 64 2PY -0.00002 0.00006 -0.00008 0.00001 -0.00004 65 2PZ 0.00002 0.00002 -0.00003 -0.00008 -0.00010 66 3S -0.00969 -0.01805 -0.01256 0.00545 0.00051 67 3PX 0.00047 0.00111 0.00244 -0.00124 -0.00003 68 3PY 0.00105 -0.00253 -0.00162 -0.00047 -0.00004 69 3PZ -0.00031 -0.00046 -0.00305 0.00120 0.00041 70 4XX -0.00627 -0.00602 -0.00106 0.00088 -0.00004 71 4YY -0.00658 -0.00594 -0.00097 0.00093 -0.00005 72 4ZZ -0.00627 -0.00604 -0.00098 0.00083 -0.00004 73 4XY -0.00006 0.00001 0.00014 -0.00013 0.00001 74 4XZ 0.00008 0.00010 -0.00004 0.00007 -0.00006 75 4YZ 0.00004 0.00000 -0.00013 0.00012 -0.00001 76 6 C 1S 0.10481 0.13961 -0.63974 0.73916 -0.01367 77 2S 0.00511 0.00703 -0.03347 0.03716 -0.00087 78 2PX -0.00010 0.00002 0.00014 -0.00005 -0.00002 79 2PY -0.00007 0.00006 -0.00051 0.00016 -0.00007 80 2PZ 0.00007 -0.00009 0.00020 -0.00012 -0.00022 81 3S 0.00061 0.00023 0.02199 -0.01439 0.00247 82 3PX 0.00118 0.00128 0.00033 -0.00006 -0.00029 83 3PY 0.00039 0.00038 0.00677 -0.00165 0.00054 84 3PZ -0.00130 -0.00140 0.00024 0.00030 0.00129 85 4XX -0.00117 -0.00141 0.00544 -0.00676 0.00008 86 4YY -0.00099 -0.00132 0.00529 -0.00651 0.00013 87 4ZZ -0.00114 -0.00135 0.00535 -0.00655 -0.00004 88 4XY -0.00003 -0.00001 -0.00003 0.00003 0.00000 89 4XZ 0.00006 0.00009 0.00000 -0.00013 0.00003 90 4YZ 0.00007 0.00007 -0.00001 0.00008 -0.00003 91 7 H 1S -0.00001 -0.00001 -0.00006 -0.00008 -0.00030 92 2S 0.00027 0.00029 -0.00095 0.00030 0.00136 93 8 H 1S -0.00001 0.00001 0.00005 -0.00009 -0.00030 94 2S 0.00027 -0.00028 0.00098 0.00017 0.00137 95 9 H 1S -0.00011 0.00008 -0.00018 -0.00008 -0.00003 96 2S 0.00042 -0.00024 0.00037 0.00164 0.00004 97 10 H 1S -0.00009 -0.00026 -0.00026 -0.00005 0.00001 98 2S 0.00194 -0.00209 -0.00018 -0.00030 0.00023 99 11 H 1S -0.00009 0.00026 0.00025 -0.00008 0.00001 100 2S 0.00192 0.00211 0.00014 -0.00032 0.00023 101 12 H 1S -0.00011 -0.00008 0.00016 -0.00010 -0.00003 102 2S 0.00042 0.00025 -0.00015 0.00167 0.00004 103 13 H 1S -0.00012 0.00015 0.00040 -0.00013 -0.00005 104 2S 0.00180 0.00186 0.00029 -0.00019 -0.00015 105 14 H 1S -0.00012 -0.00015 -0.00042 -0.00008 -0.00005 106 2S 0.00182 -0.00184 -0.00031 -0.00015 -0.00015 107 15 C 1S 0.00001 0.00002 -0.00021 -0.00010 0.00001 108 2S -0.00010 0.00020 -0.00136 -0.00046 -0.00027 109 2PX -0.00011 0.00009 -0.00016 -0.00007 -0.00007 110 2PY -0.00004 0.00006 -0.00008 0.00006 0.00017 111 2PZ 0.00003 -0.00005 -0.00009 -0.00002 -0.00020 112 3S 0.00045 -0.00068 0.00990 0.00179 0.00077 113 3PX 0.00069 -0.00175 0.00021 0.00035 -0.00033 114 3PY 0.00016 -0.00022 -0.00195 0.00074 -0.00043 115 3PZ -0.00044 0.00128 0.00402 0.00054 0.00098 116 4XX -0.00009 0.00011 -0.00002 0.00000 -0.00015 117 4YY -0.00007 0.00013 -0.00026 -0.00013 -0.00014 118 4ZZ -0.00012 0.00011 -0.00021 -0.00010 -0.00016 119 4XY 0.00004 0.00003 -0.00004 0.00006 -0.00003 120 4XZ 0.00006 -0.00007 0.00000 0.00006 -0.00006 121 4YZ -0.00005 0.00004 -0.00001 0.00008 0.00006 122 16 C 1S 0.00001 -0.00002 0.00019 -0.00012 0.00001 123 2S -0.00010 -0.00020 0.00128 -0.00064 -0.00027 124 2PX -0.00011 -0.00009 0.00015 -0.00010 -0.00007 125 2PY 0.00003 0.00006 -0.00009 -0.00004 -0.00017 126 2PZ 0.00003 0.00005 0.00009 -0.00003 -0.00020 127 3S 0.00044 0.00068 -0.00956 0.00311 0.00075 128 3PX 0.00067 0.00176 -0.00016 0.00037 -0.00033 129 3PY -0.00016 -0.00022 -0.00204 -0.00047 0.00042 130 3PZ -0.00042 -0.00128 -0.00390 0.00108 0.00096 131 4XX -0.00009 -0.00011 0.00002 0.00000 -0.00015 132 4YY -0.00007 -0.00013 0.00024 -0.00016 -0.00014 133 4ZZ -0.00012 -0.00011 0.00020 -0.00012 -0.00015 134 4XY -0.00004 0.00003 -0.00004 -0.00006 0.00003 135 4XZ 0.00006 0.00007 0.00000 0.00006 -0.00006 136 4YZ 0.00005 0.00004 -0.00002 -0.00008 -0.00006 137 17 C 1S -0.00001 0.00000 0.00000 0.00000 0.00001 138 2S -0.00007 0.00000 0.00000 0.00007 0.00000 139 2PX -0.00001 0.00000 0.00001 0.00009 -0.00003 140 2PY 0.00000 0.00002 0.00007 0.00000 0.00000 141 2PZ 0.00004 0.00000 0.00000 0.00004 -0.00011 142 3S 0.00025 0.00000 -0.00001 -0.00014 0.00050 143 3PX 0.00007 0.00000 -0.00001 -0.00014 0.00051 144 3PY 0.00000 -0.00010 -0.00034 0.00002 0.00000 145 3PZ -0.00023 0.00000 -0.00003 -0.00046 0.00033 146 4XX -0.00001 0.00000 0.00000 0.00006 -0.00002 147 4YY 0.00000 0.00000 0.00000 0.00001 0.00007 148 4ZZ -0.00003 0.00000 0.00000 0.00005 -0.00002 149 4XY 0.00000 -0.00002 0.00001 0.00000 0.00000 150 4XZ -0.00001 0.00000 0.00000 0.00001 -0.00004 151 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 152 18 O 1S -0.00003 0.00005 0.00011 0.00005 0.00004 153 2S -0.00013 0.00022 0.00057 0.00023 0.00025 154 2PX -0.00001 0.00001 0.00006 0.00002 -0.00003 155 2PY 0.00000 0.00000 -0.00002 -0.00002 -0.00003 156 2PZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00003 157 3S 0.00064 -0.00137 -0.00372 -0.00124 -0.00145 158 3PX 0.00022 -0.00035 -0.00151 -0.00037 -0.00017 159 3PY -0.00011 0.00014 0.00053 0.00014 0.00052 160 3PZ -0.00013 0.00028 0.00049 0.00029 0.00010 161 4XX -0.00005 0.00010 0.00012 0.00011 0.00009 162 4YY -0.00008 0.00015 0.00032 0.00011 0.00000 163 4ZZ -0.00007 0.00012 0.00036 0.00017 0.00014 164 4XY -0.00004 0.00004 0.00008 0.00001 0.00003 165 4XZ -0.00003 0.00003 0.00005 0.00002 0.00003 166 4YZ 0.00002 -0.00003 -0.00002 0.00001 0.00000 167 19 H 1S -0.00006 0.00024 -0.00015 -0.00012 0.00008 168 2S -0.00057 0.00084 0.00056 -0.00026 0.00049 169 20 H 1S -0.00006 -0.00024 0.00013 -0.00014 0.00007 170 2S -0.00056 -0.00085 -0.00059 -0.00018 0.00049 171 21 H 1S 0.00001 0.00000 0.00000 0.00004 -0.00008 172 2S 0.00010 0.00000 0.00002 0.00027 -0.00018 173 22 O 1S -0.00003 -0.00005 -0.00010 0.00006 0.00004 174 2S -0.00013 -0.00022 -0.00053 0.00030 0.00025 175 2PX -0.00001 -0.00001 -0.00006 0.00003 -0.00003 176 2PY 0.00000 0.00000 -0.00001 0.00002 0.00003 177 2PZ 0.00000 0.00001 0.00001 -0.00004 -0.00003 178 3S 0.00062 0.00137 0.00352 -0.00173 -0.00144 179 3PX 0.00021 0.00035 0.00145 -0.00057 -0.00017 180 3PY 0.00010 0.00014 0.00050 -0.00021 -0.00052 181 3PZ -0.00012 -0.00028 -0.00045 0.00035 0.00010 182 4XX -0.00005 -0.00010 -0.00010 0.00012 0.00010 183 4YY -0.00008 -0.00015 -0.00031 0.00015 0.00000 184 4ZZ -0.00007 -0.00012 -0.00033 0.00022 0.00014 185 4XY 0.00004 0.00004 0.00007 -0.00002 -0.00003 186 4XZ -0.00003 -0.00003 -0.00004 0.00003 0.00003 187 4YZ -0.00002 -0.00003 -0.00002 -0.00001 0.00000 188 23 H 1S -0.00003 0.00000 0.00000 -0.00006 0.00002 189 2S -0.00007 0.00000 -0.00001 -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 0.70437 -0.00162 -0.00106 -0.09183 0.02765 2 2S 0.03574 0.00205 0.00129 0.17563 -0.05301 3 2PX -0.00008 -0.00094 -0.00080 0.01145 -0.00581 4 2PY 0.00029 0.00019 -0.00087 0.02827 -0.01094 5 2PZ -0.00031 -0.00123 -0.00064 -0.05056 0.00537 6 3S -0.01696 0.00148 -0.00884 0.10903 -0.03559 7 3PX -0.00026 -0.00115 -0.00281 -0.00083 -0.00033 8 3PY -0.00338 0.00004 0.00000 0.00133 -0.00318 9 3PZ 0.00282 0.00032 0.00615 -0.00076 0.00016 10 4XX -0.00648 0.00009 0.00023 -0.00844 0.00268 11 4YY -0.00609 -0.00009 -0.00037 0.00290 -0.00093 12 4ZZ -0.00633 -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 -0.69979 -0.00162 0.00106 -0.09183 0.02765 17 2S -0.03551 0.00205 -0.00129 0.17564 -0.05300 18 2PX 0.00008 -0.00094 0.00080 0.01145 -0.00581 19 2PY 0.00029 -0.00019 -0.00087 -0.02828 0.01095 20 2PZ 0.00030 -0.00123 0.00064 -0.05056 0.00537 21 3S 0.01691 0.00147 0.00884 0.10903 -0.03559 22 3PX 0.00026 -0.00115 0.00281 -0.00083 -0.00033 23 3PY -0.00339 -0.00003 0.00000 -0.00133 0.00319 24 3PZ -0.00281 0.00032 -0.00615 -0.00076 0.00016 25 4XX 0.00643 0.00009 -0.00023 -0.00844 0.00268 26 4YY 0.00605 -0.00009 0.00037 0.00290 -0.00093 27 4ZZ 0.00629 -0.00015 0.00023 0.00103 0.00080 28 4XY 0.00004 0.00003 -0.00002 -0.00046 0.00030 29 4XZ 0.00013 0.00023 -0.00022 -0.00449 0.00189 30 4YZ 0.00013 -0.00005 0.00009 -0.00012 -0.00017 31 3 C 1S 0.01334 -0.00220 0.00284 -0.09083 0.01507 32 2S 0.00064 0.00217 -0.00019 0.16945 -0.02977 33 2PX 0.00005 -0.00174 0.00174 0.01464 -0.01408 34 2PY -0.00005 -0.00066 -0.00046 -0.04658 0.00964 35 2PZ 0.00010 -0.00015 0.00041 0.01668 -0.01499 36 3S -0.00372 0.00810 -0.02415 0.13002 -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 -0.00113 -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 -0.00018 -0.00040 0.00005 -0.08489 0.01846 47 2S 0.00018 0.00221 -0.00292 0.15996 -0.03375 48 2PX -0.00002 -0.00109 0.00093 -0.02348 -0.00351 49 2PY 0.00003 -0.00046 -0.00039 -0.01948 0.00479 50 2PZ 0.00008 0.00003 0.00028 0.02744 -0.00888 51 3S -0.00038 -0.00405 0.01573 0.11480 -0.03570 52 3PX -0.00003 0.00390 -0.00929 -0.00065 0.00035 53 3PY 0.00019 0.00020 -0.00660 -0.00433 -0.00035 54 3PZ -0.00036 -0.00046 0.00061 0.00303 -0.00252 55 4XX 0.00003 0.00020 -0.00022 -0.00109 0.00101 56 4YY 0.00004 0.00035 -0.00009 0.00166 -0.00025 57 4ZZ 0.00003 0.00026 -0.00026 -0.00009 0.00003 58 4XY 0.00000 0.00015 0.00021 -0.00007 0.00015 59 4XZ 0.00004 0.00011 -0.00020 -0.00254 0.00072 60 4YZ 0.00005 0.00007 -0.00013 0.00008 0.00002 61 5 C 1S 0.00018 -0.00040 -0.00005 -0.08489 0.01846 62 2S -0.00018 0.00221 0.00292 0.15996 -0.03377 63 2PX 0.00002 -0.00109 -0.00093 -0.02348 -0.00350 64 2PY 0.00003 0.00046 -0.00039 0.01949 -0.00479 65 2PZ -0.00008 0.00003 -0.00028 0.02743 -0.00888 66 3S 0.00038 -0.00405 -0.01573 0.11481 -0.03570 67 3PX 0.00003 0.00390 0.00930 -0.00065 0.00035 68 3PY 0.00019 -0.00020 -0.00659 0.00433 0.00036 69 3PZ 0.00036 -0.00046 -0.00061 0.00303 -0.00252 70 4XX -0.00003 0.00020 0.00022 -0.00109 0.00101 71 4YY -0.00004 0.00035 0.00009 0.00166 -0.00025 72 4ZZ -0.00003 0.00026 0.00026 -0.00009 0.00003 73 4XY 0.00000 -0.00015 0.00021 0.00007 -0.00015 74 4XZ -0.00004 0.00011 0.00020 -0.00254 0.00072 75 4YZ 0.00005 -0.00007 -0.00013 -0.00008 -0.00002 76 6 C 1S -0.01342 -0.00220 -0.00284 -0.09083 0.01508 77 2S -0.00064 0.00217 0.00019 0.16945 -0.02979 78 2PX -0.00005 -0.00174 -0.00174 0.01464 -0.01409 79 2PY -0.00005 0.00066 -0.00046 0.04658 -0.00964 80 2PZ -0.00010 -0.00015 -0.00041 0.01668 -0.01498 81 3S 0.00373 0.00809 0.02416 0.13002 -0.01717 82 3PX -0.00002 -0.00079 -0.00466 0.00259 -0.00143 83 3PY 0.00115 0.00311 0.01141 0.01294 0.00027 84 3PZ 0.00114 -0.00202 0.00117 -0.00367 -0.00732 85 4XX 0.00013 0.00013 0.00000 -0.00594 0.00188 86 4YY 0.00002 -0.00037 -0.00083 0.00085 -0.00037 87 4ZZ -0.00013 -0.00034 -0.00064 -0.00009 -0.00054 88 4XY 0.00005 -0.00009 -0.00020 0.00234 -0.00106 89 4XZ 0.00006 -0.00003 -0.00010 -0.00570 0.00205 90 4YZ -0.00007 -0.00001 0.00014 0.00227 -0.00148 91 7 H 1S -0.00023 0.00030 0.00023 0.03509 -0.01342 92 2S 0.00082 0.00016 -0.00072 0.00135 -0.00330 93 8 H 1S 0.00023 0.00030 -0.00023 0.03509 -0.01342 94 2S -0.00081 0.00016 0.00072 0.00135 -0.00330 95 9 H 1S 0.00000 0.00048 -0.00093 0.03694 -0.00501 96 2S -0.00002 0.00152 -0.00347 0.00571 -0.00021 97 10 H 1S 0.00000 0.00076 -0.00135 0.03970 -0.00617 98 2S -0.00023 0.00037 -0.00023 0.00578 0.00201 99 11 H 1S 0.00000 0.00076 0.00135 0.03970 -0.00617 100 2S 0.00024 0.00037 0.00023 0.00578 0.00201 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 H 1S -0.00006 0.00003 -0.00006 0.04104 -0.01213 104 2S -0.00009 -0.00141 -0.00301 0.00393 -0.00228 105 14 H 1S 0.00006 0.00003 0.00006 0.04104 -0.01213 106 2S 0.00009 -0.00141 0.00301 0.00393 -0.00229 107 15 C 1S 0.00004 -0.05690 0.04430 -0.02681 -0.12477 108 2S 0.00045 0.10584 -0.08759 0.05410 0.25048 109 2PX 0.00004 -0.06059 0.06093 0.01601 -0.01406 110 2PY 0.00002 -0.00989 -0.04420 -0.01434 -0.07147 111 2PZ 0.00021 0.04381 -0.04509 0.00181 -0.00957 112 3S -0.00396 0.03633 0.01199 0.03269 0.17748 113 3PX 0.00118 0.00348 -0.02172 0.00392 0.00558 114 3PY 0.00190 0.00075 -0.01849 -0.00248 -0.00957 115 3PZ -0.00245 -0.00644 0.03019 -0.00113 -0.00914 116 4XX 0.00010 0.00423 -0.00654 -0.00158 -0.01042 117 4YY 0.00008 -0.00144 0.00863 0.00141 0.00622 118 4ZZ 0.00014 -0.00125 -0.00163 -0.00085 -0.00708 119 4XY 0.00005 -0.00187 0.00594 0.00004 0.00010 120 4XZ 0.00010 -0.01133 0.01154 0.00049 -0.00503 121 4YZ 0.00003 0.00107 -0.00372 -0.00095 -0.00227 122 16 C 1S -0.00004 -0.05690 -0.04430 -0.02681 -0.12476 123 2S -0.00045 0.10584 0.08760 0.05410 0.25047 124 2PX -0.00004 -0.06058 -0.06093 0.01601 -0.01407 125 2PY 0.00002 0.00989 -0.04421 0.01434 0.07148 126 2PZ -0.00021 0.04380 0.04508 0.00181 -0.00958 127 3S 0.00396 0.03633 -0.01198 0.03269 0.17747 128 3PX -0.00118 0.00348 0.02172 0.00391 0.00558 129 3PY 0.00190 -0.00076 -0.01849 0.00248 0.00958 130 3PZ 0.00246 -0.00644 -0.03018 -0.00113 -0.00913 131 4XX -0.00010 0.00423 0.00654 -0.00158 -0.01042 132 4YY -0.00008 -0.00144 -0.00863 0.00141 0.00622 133 4ZZ -0.00014 -0.00125 0.00162 -0.00085 -0.00708 134 4XY 0.00005 0.00187 0.00594 -0.00004 -0.00010 135 4XZ -0.00010 -0.01133 -0.01154 0.00049 -0.00503 136 4YZ 0.00003 -0.00107 -0.00373 0.00095 0.00227 137 17 C 1S 0.00000 -0.08378 0.00000 0.01970 0.11340 138 2S 0.00000 0.16131 0.00000 -0.04074 -0.23762 139 2PX 0.00000 0.07988 0.00000 -0.00552 0.00194 140 2PY -0.00001 0.00001 -0.12924 0.00000 0.00000 141 2PZ 0.00000 -0.03333 -0.00001 0.00182 -0.01806 142 3S 0.00000 0.02817 0.00000 -0.02453 -0.16899 143 3PX 0.00000 -0.01394 0.00000 0.00166 0.01304 144 3PY 0.00014 0.00000 -0.00704 0.00000 0.00000 145 3PZ 0.00000 0.00248 0.00000 0.00090 -0.00530 146 4XX 0.00000 0.00385 0.00000 0.00089 0.00638 147 4YY 0.00000 0.00729 0.00000 -0.00134 -0.00340 148 4ZZ 0.00000 -0.00722 0.00000 0.00095 0.00332 149 4XY 0.00001 0.00000 -0.02357 0.00000 0.00000 150 4XZ 0.00000 -0.00742 0.00000 0.00020 -0.00307 151 4YZ 0.00003 0.00000 0.00928 0.00000 0.00000 152 18 O 1S -0.00001 -0.13070 0.15224 0.00875 0.01667 153 2S -0.00011 0.28293 -0.33388 -0.02046 -0.03953 154 2PX 0.00005 0.01175 -0.01917 0.02293 0.13341 155 2PY -0.00003 -0.08698 0.06064 0.00894 0.03455 156 2PZ 0.00005 -0.02445 0.03105 -0.00870 -0.08496 157 3S 0.00135 0.28638 -0.35991 -0.02062 -0.04325 158 3PX 0.00044 0.00341 -0.01864 0.01059 0.06054 159 3PY -0.00022 -0.05252 0.03653 0.00389 0.01469 160 3PZ -0.00039 -0.01120 0.02087 -0.00436 -0.03987 161 4XX 0.00007 -0.00064 -0.00054 0.00086 0.00156 162 4YY 0.00001 0.00724 0.00070 -0.00121 -0.00572 163 4ZZ 0.00001 -0.00547 0.00450 0.00058 0.00332 164 4XY -0.00003 0.00206 0.00030 -0.00232 -0.01288 165 4XZ -0.00001 -0.00670 0.00750 -0.00055 -0.00489 166 4YZ 0.00004 0.00203 -0.00255 0.00086 0.00752 167 19 H 1S -0.00014 0.01240 -0.01389 0.01617 0.06953 168 2S -0.00108 -0.00543 0.01045 0.00404 0.01113 169 20 H 1S 0.00014 0.01240 0.01389 0.01617 0.06953 170 2S 0.00108 -0.00543 -0.01044 0.00405 0.01114 171 21 H 1S 0.00000 0.02480 0.00000 -0.01054 -0.07837 172 2S 0.00000 0.00199 0.00000 -0.00171 -0.01784 173 22 O 1S 0.00001 -0.13069 -0.15225 0.00875 0.01667 174 2S 0.00011 0.28291 0.33390 -0.02045 -0.03953 175 2PX -0.00005 0.01175 0.01918 0.02293 0.13340 176 2PY -0.00003 0.08698 0.06065 -0.00894 -0.03454 177 2PZ -0.00005 -0.02444 -0.03104 -0.00870 -0.08496 178 3S -0.00136 0.28636 0.35993 -0.02062 -0.04325 179 3PX -0.00044 0.00341 0.01864 0.01058 0.06053 180 3PY -0.00022 0.05252 0.03654 -0.00389 -0.01469 181 3PZ 0.00039 -0.01119 -0.02086 -0.00436 -0.03987 182 4XX -0.00007 -0.00064 0.00054 0.00086 0.00156 183 4YY -0.00001 0.00724 -0.00070 -0.00121 -0.00572 184 4ZZ -0.00001 -0.00547 -0.00450 0.00058 0.00331 185 4XY -0.00003 -0.00206 0.00030 0.00232 0.01288 186 4XZ 0.00001 -0.00670 -0.00750 -0.00055 -0.00489 187 4YZ 0.00004 -0.00202 -0.00255 -0.00086 -0.00752 188 23 H 1S 0.00000 0.02520 0.00000 -0.00996 -0.06751 189 2S 0.00000 -0.00134 0.00000 -0.00092 -0.01200 16 17 18 19 20 O O O O O Eigenvalues -- -0.73599 -0.72996 -0.64146 -0.60786 -0.60674 1 1 C 1S 0.10624 0.06309 0.00400 0.04825 0.06570 2 2S -0.20696 -0.12601 -0.00652 -0.09803 -0.13451 3 2PX 0.01158 -0.01280 -0.00191 -0.00084 0.01190 4 2PY -0.05074 0.07623 -0.00060 0.06185 0.08487 5 2PZ 0.00458 0.05687 -0.00505 0.01319 0.01744 6 3S -0.14963 -0.07283 -0.00993 -0.07446 -0.09852 7 3PX 0.00587 0.00393 -0.00029 0.00548 0.00893 8 3PY -0.00539 0.02419 -0.00030 0.01608 0.03219 9 3PZ -0.00675 -0.00813 0.00103 -0.01104 -0.01451 10 4XX 0.00960 0.00421 0.00026 0.00309 0.00408 11 4YY -0.00497 0.00622 0.00001 0.00450 0.00600 12 4ZZ 0.00307 -0.00540 0.00065 -0.00166 -0.00266 13 4XY -0.00112 0.00055 -0.00029 -0.00065 -0.00209 14 4XZ 0.00307 0.00449 0.00056 0.00306 0.00271 15 4YZ 0.00148 -0.00491 -0.00012 -0.00013 -0.00035 16 2 C 1S 0.10624 -0.06310 0.00401 -0.04825 -0.06570 17 2S -0.20695 0.12604 -0.00654 0.09803 0.13450 18 2PX 0.01159 0.01280 -0.00191 0.00085 -0.01189 19 2PY 0.05074 0.07622 0.00059 0.06185 0.08487 20 2PZ 0.00457 -0.05688 -0.00505 -0.01320 -0.01746 21 3S -0.14962 0.07285 -0.00994 0.07446 0.09851 22 3PX 0.00587 -0.00393 -0.00029 -0.00548 -0.00892 23 3PY 0.00539 0.02419 0.00029 0.01608 0.03220 24 3PZ -0.00676 0.00813 0.00102 0.01104 0.01451 25 4XX 0.00960 -0.00422 0.00026 -0.00309 -0.00408 26 4YY -0.00497 -0.00622 0.00001 -0.00450 -0.00600 27 4ZZ 0.00307 0.00540 0.00065 0.00166 0.00266 28 4XY 0.00112 0.00055 0.00029 -0.00065 -0.00209 29 4XZ 0.00307 -0.00449 0.00056 -0.00306 -0.00271 30 4YZ -0.00148 -0.00491 0.00012 -0.00013 -0.00035 31 3 C 1S 0.01110 -0.12384 -0.00142 -0.02135 -0.01671 32 2S -0.02087 0.24001 0.00194 0.04433 0.03381 33 2PX 0.05209 0.01855 -0.00996 -0.01729 -0.08373 34 2PY 0.01249 -0.00644 -0.00240 -0.00628 -0.00169 35 2PZ -0.09373 0.01781 -0.00587 0.08352 0.12437 36 3S -0.02237 0.20502 0.00933 0.04130 0.03941 37 3PX 0.00829 0.00453 -0.00047 -0.00295 -0.02182 38 3PY 0.00893 -0.00114 -0.00470 0.00030 -0.00144 39 3PZ -0.01618 -0.00331 -0.00343 0.02811 0.02697 40 4XX 0.00488 -0.00730 -0.00114 -0.00466 -0.00498 41 4YY -0.00068 -0.00066 0.00007 0.00061 0.00077 42 4ZZ -0.00140 -0.00084 -0.00008 0.00134 0.00141 43 4XY -0.00412 -0.00285 0.00111 0.00089 0.00273 44 4XZ -0.00257 -0.00642 0.00095 -0.00057 0.00398 45 4YZ 0.00795 -0.00210 0.00051 -0.00333 -0.00518 46 4 C 1S -0.11055 -0.06888 0.01225 0.03293 0.09318 47 2S 0.21313 0.13377 -0.02382 -0.06797 -0.18843 48 2PX 0.01340 -0.02894 -0.01597 -0.00109 -0.01618 49 2PY -0.03717 0.06703 0.00486 -0.03366 -0.09454 50 2PZ -0.01862 0.03267 -0.00232 0.01846 0.01673 51 3S 0.18639 0.10957 -0.02840 -0.05793 -0.18528 52 3PX 0.00303 -0.00106 -0.00733 -0.00232 -0.00800 53 3PY -0.00610 0.01619 -0.00043 -0.01277 -0.03926 54 3PZ -0.00680 0.00447 -0.00204 0.00836 0.01289 55 4XX -0.00239 0.00240 0.00072 -0.00101 -0.00230 56 4YY 0.00371 -0.00769 -0.00059 0.00370 0.01034 57 4ZZ -0.00301 0.00347 0.00014 -0.00022 -0.00214 58 4XY 0.00093 -0.00241 -0.00011 -0.00030 -0.00187 59 4XZ 0.00305 -0.00336 -0.00019 -0.00214 -0.00334 60 4YZ -0.00125 0.00256 0.00009 0.00179 0.00215 61 5 C 1S -0.11054 0.06890 0.01226 -0.03293 -0.09318 62 2S 0.21311 -0.13380 -0.02384 0.06798 0.18843 63 2PX 0.01341 0.02894 -0.01597 0.00110 0.01620 64 2PY 0.03718 0.06702 -0.00485 -0.03365 -0.09454 65 2PZ -0.01863 -0.03268 -0.00231 -0.01844 -0.01669 66 3S 0.18636 -0.10959 -0.02842 0.05793 0.18529 67 3PX 0.00303 0.00106 -0.00732 0.00233 0.00801 68 3PY 0.00610 0.01619 0.00043 -0.01277 -0.03926 69 3PZ -0.00681 -0.00447 -0.00204 -0.00835 -0.01287 70 4XX -0.00239 -0.00240 0.00072 0.00101 0.00229 71 4YY 0.00372 0.00769 -0.00059 -0.00370 -0.01034 72 4ZZ -0.00301 -0.00347 0.00014 0.00022 0.00214 73 4XY -0.00093 -0.00241 0.00011 -0.00030 -0.00186 74 4XZ 0.00305 0.00336 -0.00019 0.00214 0.00334 75 4YZ 0.00125 0.00256 -0.00009 0.00180 0.00216 76 6 C 1S 0.01112 0.12383 -0.00143 0.02135 0.01671 77 2S -0.02089 -0.24000 0.00196 -0.04434 -0.03382 78 2PX 0.05209 -0.01857 -0.00997 0.01730 0.08375 79 2PY -0.01251 -0.00644 0.00240 -0.00629 -0.00172 80 2PZ -0.09373 -0.01781 -0.00585 -0.08351 -0.12435 81 3S -0.02239 -0.20502 0.00935 -0.04130 -0.03941 82 3PX 0.00829 -0.00453 -0.00047 0.00295 0.02183 83 3PY -0.00893 -0.00113 0.00471 0.00029 -0.00144 84 3PZ -0.01618 0.00331 -0.00342 -0.02811 -0.02697 85 4XX 0.00488 0.00729 -0.00114 0.00466 0.00498 86 4YY -0.00068 0.00066 0.00007 -0.00061 -0.00077 87 4ZZ -0.00140 0.00084 -0.00008 -0.00134 -0.00141 88 4XY 0.00412 -0.00285 -0.00111 0.00089 0.00273 89 4XZ -0.00257 0.00642 0.00095 0.00057 -0.00398 90 4YZ -0.00795 -0.00210 -0.00051 -0.00333 -0.00518 91 7 H 1S -0.06029 -0.03698 -0.00390 -0.04607 -0.06538 92 2S -0.01166 -0.00208 -0.00250 -0.01537 -0.02005 93 8 H 1S -0.06029 0.03699 -0.00391 0.04607 0.06538 94 2S -0.01165 0.00209 -0.00250 0.01537 0.02005 95 9 H 1S -0.00368 0.07762 0.00070 0.01214 0.01484 96 2S -0.00328 0.01835 -0.00130 0.00151 0.00673 97 10 H 1S 0.07128 0.04460 -0.00441 -0.04021 -0.09048 98 2S 0.01671 0.01068 0.00245 -0.01900 -0.03193 99 11 H 1S 0.07127 -0.04460 -0.00442 0.04021 0.09048 100 2S 0.01671 -0.01068 0.00244 0.01900 0.03193 101 12 H 1S -0.00369 -0.07761 0.00070 -0.01215 -0.01484 102 2S -0.00328 -0.01834 -0.00130 -0.00151 -0.00673 103 13 H 1S 0.06861 -0.04511 -0.01416 0.02849 0.08883 104 2S 0.01635 -0.00859 -0.00340 0.01093 0.03296 105 14 H 1S 0.06862 0.04510 -0.01416 -0.02849 -0.08883 106 2S 0.01635 0.00859 -0.00340 -0.01093 -0.03297 107 15 C 1S 0.00174 -0.01291 -0.06744 0.08902 -0.04417 108 2S -0.00364 0.02431 0.13626 -0.18397 0.08959 109 2PX 0.00413 0.01292 0.08226 0.01910 -0.01216 110 2PY 0.00113 0.01632 -0.14875 -0.12309 0.06061 111 2PZ -0.00958 0.00039 -0.09433 0.01956 0.00113 112 3S -0.00389 0.03254 0.12087 -0.17281 0.10024 113 3PX 0.00273 0.00415 0.02112 -0.01072 -0.00596 114 3PY -0.00055 -0.00231 -0.02742 -0.02813 0.01105 115 3PZ -0.00227 0.00541 -0.02662 0.01789 0.00358 116 4XX 0.00085 -0.00050 -0.01165 0.00359 -0.00220 117 4YY -0.00005 -0.00106 0.00676 0.00674 -0.00333 118 4ZZ -0.00072 -0.00001 -0.00618 -0.00038 0.00093 119 4XY 0.00031 0.00114 0.00834 0.00292 -0.00200 120 4XZ -0.00024 0.00031 0.00654 0.00770 -0.00376 121 4YZ -0.00009 -0.00037 -0.00738 0.00401 -0.00077 122 16 C 1S 0.00174 0.01292 -0.06744 -0.08903 0.04416 123 2S -0.00364 -0.02432 0.13627 0.18398 -0.08957 124 2PX 0.00413 -0.01291 0.08226 -0.01910 0.01216 125 2PY -0.00113 0.01631 0.14875 -0.12308 0.06063 126 2PZ -0.00958 -0.00039 -0.09432 -0.01958 -0.00113 127 3S -0.00389 -0.03256 0.12088 0.17282 -0.10022 128 3PX 0.00272 -0.00415 0.02112 0.01072 0.00595 129 3PY 0.00055 -0.00231 0.02742 -0.02813 0.01106 130 3PZ -0.00227 -0.00541 -0.02661 -0.01790 -0.00358 131 4XX 0.00085 0.00050 -0.01165 -0.00359 0.00220 132 4YY -0.00005 0.00106 0.00676 -0.00674 0.00333 133 4ZZ -0.00072 0.00001 -0.00618 0.00038 -0.00093 134 4XY -0.00031 0.00114 -0.00834 0.00292 -0.00201 135 4XZ -0.00024 -0.00031 0.00653 -0.00770 0.00376 136 4YZ 0.00009 -0.00037 0.00738 0.00401 -0.00076 137 17 C 1S -0.00900 -0.00001 -0.12549 0.00000 -0.00001 138 2S 0.01867 0.00001 0.26473 0.00000 0.00002 139 2PX -0.00190 0.00000 -0.08970 0.00001 -0.00001 140 2PY 0.00000 -0.02033 0.00001 0.19143 -0.10721 141 2PZ -0.00114 0.00000 0.02936 0.00001 -0.00001 142 3S 0.01546 0.00001 0.24901 0.00000 0.00002 143 3PX -0.00179 0.00000 -0.03687 0.00000 0.00000 144 3PY 0.00000 -0.00351 0.00000 0.05015 -0.02901 145 3PZ -0.00125 0.00000 0.00548 0.00000 0.00000 146 4XX -0.00069 0.00000 -0.00319 0.00000 0.00000 147 4YY 0.00018 0.00000 -0.01318 0.00000 0.00000 148 4ZZ -0.00018 0.00000 0.00618 0.00000 0.00000 149 4XY 0.00000 -0.00231 0.00000 0.01687 -0.00929 150 4XZ -0.00006 0.00000 0.00309 0.00000 0.00000 151 4YZ 0.00000 0.00098 0.00000 -0.00348 0.00231 152 18 O 1S -0.00040 0.00740 0.06976 -0.02376 0.01368 153 2S 0.00086 -0.01624 -0.16285 0.05615 -0.03024 154 2PX -0.01219 0.01776 -0.10119 -0.18355 0.10558 155 2PY -0.00340 0.00706 -0.08532 -0.05098 0.02909 156 2PZ 0.00148 -0.00514 0.04053 0.12361 -0.06086 157 3S 0.00177 -0.02375 -0.21438 0.06899 -0.04965 158 3PX -0.00513 0.00621 -0.04071 -0.08594 0.04649 159 3PY -0.00171 0.00426 -0.04647 -0.02035 0.01392 160 3PZ -0.00045 -0.00187 0.01498 0.06030 -0.02579 161 4XX -0.00036 0.00108 0.00066 -0.00275 0.00225 162 4YY 0.00037 -0.00002 0.00964 0.00356 -0.00122 163 4ZZ -0.00016 0.00088 -0.00013 -0.00464 0.00288 164 4XY 0.00100 -0.00056 0.00458 0.00761 -0.00409 165 4XZ -0.00018 -0.00028 -0.00005 0.00576 -0.00239 166 4YZ -0.00006 0.00012 0.00057 -0.00444 0.00203 167 19 H 1S 0.00349 0.01587 0.05607 -0.11184 0.04858 168 2S 0.00438 0.00904 0.01647 -0.04745 0.01806 169 20 H 1S 0.00349 -0.01587 0.05608 0.11184 -0.04858 170 2S 0.00438 -0.00904 0.01647 0.04745 -0.01806 171 21 H 1S 0.00563 0.00000 0.11788 0.00000 0.00001 172 2S 0.00069 0.00000 0.03917 0.00000 0.00000 173 22 O 1S -0.00040 -0.00740 0.06976 0.02377 -0.01367 174 2S 0.00086 0.01624 -0.16285 -0.05615 0.03022 175 2PX -0.01219 -0.01778 -0.10117 0.18355 -0.10559 176 2PY 0.00340 0.00707 0.08531 -0.05097 0.02910 177 2PZ 0.00148 0.00515 0.04053 -0.12361 0.06086 178 3S 0.00177 0.02375 -0.21438 -0.06899 0.04961 179 3PX -0.00513 -0.00621 -0.04071 0.08594 -0.04650 180 3PY 0.00171 0.00426 0.04646 -0.02035 0.01393 181 3PZ -0.00044 0.00187 0.01498 -0.06030 0.02579 182 4XX -0.00036 -0.00108 0.00066 0.00275 -0.00225 183 4YY 0.00037 0.00002 0.00964 -0.00355 0.00122 184 4ZZ -0.00016 -0.00088 -0.00013 0.00464 -0.00288 185 4XY -0.00100 -0.00056 -0.00458 0.00761 -0.00409 186 4XZ -0.00018 0.00028 -0.00005 -0.00576 0.00239 187 4YZ 0.00007 0.00012 -0.00057 -0.00444 0.00203 188 23 H 1S 0.00636 0.00000 0.11736 0.00000 0.00001 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 -0.50066 -0.49469 -0.47085 1 1 C 1S 0.05845 -0.01090 0.00235 -0.00660 -0.06596 2 2S -0.11866 0.02267 -0.00933 0.01362 0.13624 3 2PX 0.03662 -0.02236 -0.04202 -0.07602 -0.03238 4 2PY -0.13440 0.00831 -0.00194 -0.11881 -0.07721 5 2PZ -0.11860 0.05575 0.02885 0.16566 0.08022 6 3S -0.10308 0.02503 0.00652 0.02696 0.13748 7 3PX 0.01229 -0.00563 -0.02137 -0.02400 -0.01681 8 3PY -0.03057 0.00052 0.00085 -0.03598 -0.02319 9 3PZ -0.03833 0.01641 0.00093 0.05351 0.04404 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 0.00002 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 0.05845 -0.01090 0.00234 -0.00660 0.06596 17 2S -0.11866 0.02268 -0.00930 0.01362 -0.13624 18 2PX 0.03663 -0.02236 -0.04202 -0.07600 0.03237 19 2PY 0.13438 -0.00829 0.00196 0.11885 -0.07721 20 2PZ -0.11862 0.05576 0.02886 0.16565 -0.08019 21 3S -0.10307 0.02504 0.00653 0.02696 -0.13748 22 3PX 0.01229 -0.00563 -0.02137 -0.02400 0.01681 23 3PY 0.03056 -0.00052 -0.00084 0.03599 -0.02319 24 3PZ -0.03834 0.01641 0.00094 0.05351 -0.04403 25 4XX 0.00366 -0.00084 0.00057 0.00135 0.00217 26 4YY -0.00402 0.00138 -0.00071 0.00242 0.00884 27 4ZZ 0.00655 -0.00074 0.00003 0.00106 -0.00152 28 4XY 0.00205 -0.00071 0.00017 -0.00033 0.00428 29 4XZ 0.00165 -0.00084 0.00177 -0.00235 0.00539 30 4YZ -0.00623 0.00037 0.00056 -0.00215 -0.01050 31 3 C 1S -0.10190 0.01259 0.00927 -0.00854 -0.05985 32 2S 0.20613 -0.02572 -0.01813 0.01989 0.12488 33 2PX -0.00489 -0.01668 -0.03681 -0.02439 -0.01420 34 2PY 0.07417 0.02935 0.01543 0.20212 0.11461 35 2PZ -0.00523 -0.01583 -0.02812 -0.00684 -0.07698 36 3S 0.19023 -0.02821 -0.02649 0.02167 0.13287 37 3PX -0.00390 -0.01203 -0.01483 -0.00523 -0.00404 38 3PY 0.03168 0.01517 0.01014 0.08184 0.04979 39 3PZ -0.01129 -0.00518 -0.00890 0.00107 -0.04248 40 4XX -0.00824 0.00105 0.00208 -0.00014 -0.00657 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 0.00057 0.00018 0.00157 0.00196 0.00131 46 4 C 1S 0.04070 -0.00054 -0.00047 -0.00253 0.04568 47 2S -0.08231 0.00015 0.00106 0.00467 -0.09251 48 2PX -0.08041 -0.00161 -0.02408 0.06517 -0.09584 49 2PY 0.07816 0.00867 0.00009 0.09211 -0.03427 50 2PZ 0.07204 -0.04597 -0.05563 -0.09587 0.05659 51 3S -0.08200 0.00457 0.00443 0.01096 -0.12495 52 3PX -0.02709 -0.00453 -0.01234 0.02440 -0.04120 53 3PY 0.02369 0.00287 0.00033 0.03840 -0.01620 54 3PZ 0.02413 -0.01339 -0.02145 -0.03971 0.02438 55 4XX 0.00245 -0.00037 -0.00036 0.00149 -0.00161 56 4YY -0.00226 -0.00009 0.00018 0.00060 0.00757 57 4ZZ 0.00247 0.00067 0.00084 0.00205 -0.00237 58 4XY -0.00348 -0.00053 -0.00023 -0.00268 -0.00844 59 4XZ -0.00679 0.00193 0.00111 0.00538 -0.00581 60 4YZ 0.00369 -0.00018 -0.00057 0.00210 0.00562 61 5 C 1S 0.04069 -0.00055 -0.00047 -0.00253 -0.04568 62 2S -0.08231 0.00016 0.00106 0.00467 0.09251 63 2PX -0.08042 -0.00161 -0.02408 0.06517 0.09598 64 2PY -0.07814 -0.00869 -0.00011 -0.09213 -0.03431 65 2PZ 0.07205 -0.04596 -0.05563 -0.09585 -0.05646 66 3S -0.08200 0.00458 0.00443 0.01096 0.12495 67 3PX -0.02709 -0.00453 -0.01235 0.02439 0.04125 68 3PY -0.02369 -0.00287 -0.00034 -0.03841 -0.01622 69 3PZ 0.02414 -0.01339 -0.02145 -0.03971 -0.02433 70 4XX 0.00245 -0.00037 -0.00036 0.00148 0.00162 71 4YY -0.00227 -0.00009 0.00018 0.00060 -0.00757 72 4ZZ 0.00247 0.00067 0.00084 0.00205 0.00237 73 4XY 0.00348 0.00053 0.00023 0.00268 -0.00844 74 4XZ -0.00679 0.00193 0.00111 0.00537 0.00582 75 4YZ -0.00369 0.00018 0.00057 -0.00210 0.00562 76 6 C 1S -0.10191 0.01258 0.00927 -0.00854 0.05986 77 2S 0.20613 -0.02571 -0.01812 0.01989 -0.12489 78 2PX -0.00490 -0.01667 -0.03680 -0.02441 0.01424 79 2PY -0.07417 -0.02936 -0.01545 -0.20212 0.11460 80 2PZ -0.00522 -0.01583 -0.02814 -0.00682 0.07699 81 3S 0.19023 -0.02820 -0.02648 0.02168 -0.13289 82 3PX -0.00391 -0.01203 -0.01483 -0.00523 0.00406 83 3PY -0.03168 -0.01517 -0.01015 -0.08184 0.04978 84 3PZ -0.01128 -0.00518 -0.00890 0.00107 0.04248 85 4XX -0.00824 0.00105 0.00208 -0.00014 0.00658 86 4YY 0.00398 -0.00035 0.00028 0.00246 -0.01070 87 4ZZ -0.00814 0.00227 0.00144 0.00172 0.01136 88 4XY 0.00177 -0.00014 -0.00179 -0.00068 -0.00208 89 4XZ 0.00022 0.00117 0.00056 -0.00175 -0.00372 90 4YZ -0.00058 -0.00018 -0.00157 -0.00196 0.00131 91 7 H 1S -0.06479 0.03301 0.01760 0.11823 0.12808 92 2S -0.02651 0.02055 0.01788 0.07922 0.07733 93 8 H 1S -0.06479 0.03301 0.01762 0.11823 -0.12807 94 2S -0.02650 0.02055 0.01789 0.07923 -0.07732 95 9 H 1S 0.11594 0.00613 0.00311 0.11393 0.12718 96 2S 0.05033 0.00713 0.00337 0.06907 0.07882 97 10 H 1S -0.04273 0.02717 0.03110 0.06037 -0.06689 98 2S -0.02046 0.02295 0.02215 0.03979 -0.03629 99 11 H 1S -0.04273 0.02717 0.03109 0.06038 0.06684 100 2S -0.02045 0.02294 0.02214 0.03980 0.03626 101 12 H 1S 0.11594 0.00614 0.00313 0.11394 -0.12717 102 2S 0.05033 0.00713 0.00338 0.06907 -0.07882 103 13 H 1S -0.04628 -0.00435 -0.01777 0.03887 0.08958 104 2S -0.02120 -0.00131 -0.01084 0.02752 0.05313 105 14 H 1S -0.04629 -0.00435 -0.01776 0.03889 -0.08951 106 2S -0.02120 -0.00131 -0.01084 0.02753 -0.05308 107 15 C 1S 0.00881 -0.00678 -0.00868 0.00119 -0.00728 108 2S -0.01986 0.01227 0.01789 -0.00211 0.01258 109 2PX 0.02565 0.05776 0.10455 -0.03587 0.06160 110 2PY 0.04658 0.21741 -0.01413 -0.03978 0.01433 111 2PZ 0.00648 -0.13485 0.04031 0.00948 -0.05798 112 3S -0.00693 0.03720 0.02140 -0.00965 0.02719 113 3PX 0.00770 0.01421 0.04869 -0.01174 0.01897 114 3PY 0.01443 0.06584 -0.00110 -0.01151 0.00623 115 3PZ 0.00647 -0.04206 0.02316 0.00168 -0.00902 116 4XX 0.00114 -0.00186 -0.01050 0.00125 -0.00207 117 4YY -0.00083 0.00060 0.00177 0.00001 0.00143 118 4ZZ 0.00139 0.00465 0.00661 -0.00177 0.00026 119 4XY -0.00099 -0.00713 -0.00139 0.00409 0.00666 120 4XZ 0.00105 0.00106 -0.00003 -0.00121 0.00358 121 4YZ 0.00077 0.00165 -0.00161 0.00003 -0.00633 122 16 C 1S 0.00881 -0.00678 -0.00868 0.00119 0.00726 123 2S -0.01985 0.01227 0.01789 -0.00211 -0.01256 124 2PX 0.02565 0.05775 0.10454 -0.03588 -0.06160 125 2PY -0.04659 -0.21741 0.01413 0.03978 0.01432 126 2PZ 0.00648 -0.13485 0.04032 0.00949 0.05795 127 3S -0.00692 0.03719 0.02140 -0.00965 -0.02716 128 3PX 0.00770 0.01421 0.04868 -0.01174 -0.01898 129 3PY -0.01443 -0.06584 0.00110 0.01151 0.00622 130 3PZ 0.00647 -0.04206 0.02317 0.00169 0.00901 131 4XX 0.00114 -0.00186 -0.01050 0.00125 0.00206 132 4YY -0.00083 0.00059 0.00177 0.00001 -0.00143 133 4ZZ 0.00139 0.00465 0.00661 -0.00177 -0.00026 134 4XY 0.00099 0.00713 0.00139 -0.00409 0.00666 135 4XZ 0.00105 0.00106 -0.00003 -0.00121 -0.00358 136 4YZ -0.00077 -0.00165 0.00161 -0.00003 -0.00633 137 17 C 1S -0.00169 -0.00800 0.00614 -0.00293 0.00000 138 2S 0.00471 0.01626 -0.01166 0.00569 0.00000 139 2PX -0.01515 -0.20376 0.11772 0.04145 0.00001 140 2PY 0.00001 0.00001 -0.00002 0.00000 0.09020 141 2PZ 0.01694 0.04309 0.34132 -0.06000 0.00006 142 3S 0.00453 0.03590 -0.02010 0.00545 0.00000 143 3PX -0.00584 -0.06428 0.04605 0.01728 0.00000 144 3PY 0.00000 0.00000 -0.00001 0.00000 0.03621 145 3PZ 0.00686 0.01505 0.14602 -0.02880 0.00002 146 4XX -0.00153 -0.01012 -0.00514 0.00337 0.00000 147 4YY 0.00064 -0.00083 0.00161 -0.00070 0.00000 148 4ZZ 0.00033 0.00857 0.00266 -0.00255 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00457 150 4XZ 0.00154 0.01018 -0.00344 -0.00243 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00103 152 18 O 1S -0.00714 -0.03099 -0.01199 0.01354 0.00506 153 2S 0.01760 0.07134 0.02252 -0.03028 -0.01042 154 2PX -0.00052 -0.02475 0.07665 -0.00506 -0.09813 155 2PY 0.02708 0.20562 0.02754 -0.06725 -0.01473 156 2PZ 0.01271 -0.03922 0.21111 -0.02048 0.04803 157 3S 0.01961 0.10268 0.05781 -0.05110 -0.02822 158 3PX -0.00319 -0.02182 0.04784 0.00029 -0.05225 159 3PY 0.01600 0.12145 0.01154 -0.03848 -0.00480 160 3PZ 0.00771 -0.01900 0.11914 -0.01130 0.02386 161 4XX 0.00184 0.00787 0.00095 -0.00238 0.00099 162 4YY -0.00183 -0.01783 -0.00217 0.00564 0.00138 163 4ZZ 0.00042 0.00773 -0.00410 -0.00093 0.00028 164 4XY 0.00171 0.00926 -0.00575 -0.00109 0.00433 165 4XZ -0.00005 -0.00312 -0.00350 0.00141 0.00055 166 4YZ -0.00200 -0.00441 -0.01509 0.00350 -0.00187 167 19 H 1S 0.00734 0.12869 0.00786 -0.01868 0.05129 168 2S 0.00510 0.08380 0.00861 -0.00894 0.04020 169 20 H 1S 0.00733 0.12868 0.00785 -0.01869 -0.05127 170 2S 0.00510 0.08379 0.00861 -0.00894 -0.04019 171 21 H 1S 0.00990 0.05252 0.14695 -0.03201 0.00003 172 2S 0.00325 0.03539 0.09050 -0.01700 0.00002 173 22 O 1S -0.00714 -0.03099 -0.01199 0.01354 -0.00506 174 2S 0.01760 0.07134 0.02252 -0.03028 0.01042 175 2PX -0.00051 -0.02473 0.07664 -0.00505 0.09815 176 2PY -0.02708 -0.20562 -0.02755 0.06725 -0.01474 177 2PZ 0.01270 -0.03924 0.21111 -0.02047 -0.04800 178 3S 0.01961 0.10268 0.05781 -0.05110 0.02822 179 3PX -0.00318 -0.02181 0.04783 0.00029 0.05226 180 3PY -0.01600 -0.12145 -0.01155 0.03848 -0.00480 181 3PZ 0.00771 -0.01901 0.11914 -0.01129 -0.02384 182 4XX 0.00184 0.00787 0.00095 -0.00238 -0.00099 183 4YY -0.00183 -0.01783 -0.00218 0.00564 -0.00138 184 4ZZ 0.00042 0.00773 -0.00409 -0.00093 -0.00028 185 4XY -0.00171 -0.00926 0.00574 0.00109 0.00433 186 4XZ -0.00005 -0.00312 -0.00349 0.00141 -0.00055 187 4YZ 0.00200 0.00441 0.01509 -0.00350 -0.00187 188 23 H 1S 0.00258 0.07567 -0.15167 0.00266 -0.00002 189 2S 0.00192 0.05464 -0.09212 -0.00216 -0.00001 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 0.00259 0.02760 -0.00238 -0.00474 -0.00869 2 2S -0.00822 -0.05881 0.00482 0.00976 0.02299 3 2PX 0.02548 0.02547 0.03924 0.00429 0.08808 4 2PY -0.06132 0.03353 -0.00965 -0.19372 0.01379 5 2PZ -0.00828 -0.04839 0.01797 -0.17662 -0.17991 6 3S -0.00191 -0.06824 0.00677 0.01263 0.02900 7 3PX 0.01168 0.00267 0.02086 -0.00359 0.02638 8 3PY -0.01743 0.01948 -0.00210 -0.07023 0.03520 9 3PZ -0.00439 -0.01266 0.00707 -0.06669 -0.03026 10 4XX 0.00169 0.00125 0.00048 -0.00201 -0.00013 11 4YY -0.00108 0.00304 0.00031 -0.00312 -0.00826 12 4ZZ -0.00046 -0.00162 -0.00092 0.00348 0.00319 13 4XY 0.00028 -0.00283 0.00067 -0.00043 -0.00635 14 4XZ -0.00143 0.00227 -0.00273 0.00258 -0.00098 15 4YZ 0.00130 0.00534 0.00071 0.00129 0.01036 16 2 C 1S 0.00268 -0.02759 -0.00240 -0.00473 0.00868 17 2S -0.00843 0.05878 0.00485 0.00976 -0.02298 18 2PX 0.02559 -0.02533 0.03923 0.00436 -0.08806 19 2PY 0.06119 0.03382 0.00967 0.19369 0.01389 20 2PZ -0.00846 0.04834 0.01801 -0.17673 0.17983 21 3S -0.00216 0.06823 0.00682 0.01261 -0.02900 22 3PX 0.01169 -0.00261 0.02086 -0.00357 -0.02637 23 3PY 0.01734 0.01956 0.00210 0.07021 0.03524 24 3PZ -0.00443 0.01264 0.00707 -0.06671 0.03023 25 4XX 0.00169 -0.00124 0.00048 -0.00201 0.00013 26 4YY -0.00107 -0.00304 0.00030 -0.00313 0.00826 27 4ZZ -0.00047 0.00162 -0.00092 0.00348 -0.00319 28 4XY -0.00027 -0.00283 -0.00068 0.00043 -0.00635 29 4XZ -0.00142 -0.00227 -0.00273 0.00258 0.00098 30 4YZ -0.00132 0.00533 -0.00071 -0.00130 0.01035 31 3 C 1S 0.00333 0.02706 -0.00007 0.00107 0.02666 32 2S -0.00564 -0.05465 0.00163 -0.00167 -0.06291 33 2PX 0.02764 -0.02373 0.05383 -0.14842 -0.07354 34 2PY 0.02379 -0.03894 0.01060 -0.03117 0.26786 35 2PZ 0.07845 0.01339 0.02385 0.23029 -0.06601 36 3S -0.01459 -0.07827 -0.00702 -0.01371 -0.08741 37 3PX 0.01391 -0.00668 0.02308 -0.05358 -0.02931 38 3PY 0.01522 -0.00836 0.01335 -0.00547 0.07494 39 3PZ 0.03219 -0.00694 0.01205 0.07458 -0.03258 40 4XX 0.00548 0.00125 0.00108 -0.00396 -0.00213 41 4YY -0.00119 -0.00413 -0.00074 -0.00235 0.01220 42 4ZZ -0.00334 0.00632 -0.00121 0.00491 -0.00201 43 4XY -0.00146 0.00120 -0.00204 0.00381 0.00061 44 4XZ 0.00088 0.00060 0.00109 0.00210 0.00072 45 4YZ -0.00202 0.00008 -0.00107 -0.00380 0.00285 46 4 C 1S -0.00078 -0.00722 0.00408 0.00367 0.00875 47 2S 0.00132 0.01265 -0.00953 -0.00881 -0.01490 48 2PX 0.20970 0.00701 0.09198 0.11209 0.02585 49 2PY -0.00032 0.00189 0.02192 -0.13299 0.01529 50 2PZ 0.13928 -0.05236 0.10837 -0.16387 -0.14481 51 3S 0.00477 0.02628 -0.00947 -0.02053 -0.06318 52 3PX 0.09159 -0.00696 0.03534 0.04793 0.00821 53 3PY 0.00059 -0.00938 0.00668 -0.06659 0.03968 54 3PZ 0.06150 -0.01872 0.05196 -0.07193 -0.06741 55 4XX 0.00866 -0.00044 0.00514 -0.00223 -0.00290 56 4YY 0.00005 -0.00202 -0.00104 0.00154 0.00510 57 4ZZ -0.00720 0.00098 -0.00403 0.00299 -0.00019 58 4XY 0.00157 0.00106 0.00050 0.00198 -0.00143 59 4XZ 0.00239 0.00245 0.00065 0.00408 0.00623 60 4YZ 0.00202 -0.00436 0.00163 -0.00188 -0.00696 61 5 C 1S -0.00079 0.00722 0.00409 0.00367 -0.00875 62 2S 0.00133 -0.01264 -0.00955 -0.00881 0.01489 63 2PX 0.20965 -0.00603 0.09194 0.11210 -0.02583 64 2PY 0.00039 0.00189 -0.02187 0.13294 0.01534 65 2PZ 0.13909 0.05301 0.10842 -0.16395 0.14472 66 3S 0.00482 -0.02626 -0.00950 -0.02054 0.06317 67 3PX 0.09152 0.00739 0.03532 0.04794 -0.00821 68 3PY -0.00050 -0.00938 -0.00665 0.06655 0.03971 69 3PZ 0.06143 0.01901 0.05197 -0.07197 0.06735 70 4XX 0.00866 0.00048 0.00514 -0.00223 0.00291 71 4YY 0.00004 0.00202 -0.00104 0.00154 -0.00511 72 4ZZ -0.00719 -0.00101 -0.00403 0.00299 0.00020 73 4XY -0.00157 0.00105 -0.00049 -0.00198 -0.00143 74 4XZ 0.00240 -0.00244 0.00065 0.00408 -0.00623 75 4YZ -0.00200 -0.00437 -0.00163 0.00189 -0.00696 76 6 C 1S 0.00343 -0.02704 -0.00009 0.00109 -0.02666 77 2S -0.00583 0.05462 0.00166 -0.00169 0.06290 78 2PX 0.02749 0.02386 0.05383 -0.14846 0.07350 79 2PY -0.02366 -0.03904 -0.01061 0.03114 0.26787 80 2PZ 0.07850 -0.01301 0.02385 0.23024 0.06607 81 3S -0.01488 0.07820 -0.00697 -0.01375 0.08739 82 3PX 0.01386 0.00675 0.02308 -0.05360 0.02930 83 3PY -0.01520 -0.00843 -0.01335 0.00547 0.07495 84 3PZ 0.03214 0.00709 0.01205 0.07456 0.03260 85 4XX 0.00548 -0.00122 0.00108 -0.00397 0.00213 86 4YY -0.00120 0.00413 -0.00074 -0.00235 -0.01220 87 4ZZ -0.00332 -0.00634 -0.00121 0.00492 0.00201 88 4XY 0.00146 0.00121 0.00204 -0.00381 0.00061 89 4XZ 0.00089 -0.00059 0.00109 0.00210 -0.00072 90 4YZ 0.00202 0.00009 0.00107 0.00380 0.00285 91 7 H 1S 0.00467 -0.06595 0.00439 -0.02096 -0.10618 92 2S 0.00675 -0.04509 0.00460 -0.02016 -0.10362 93 8 H 1S 0.00444 0.06596 0.00444 -0.02102 0.10616 94 2S 0.00658 0.04511 0.00463 -0.02021 0.10360 95 9 H 1S 0.00534 -0.04743 0.00169 -0.01725 0.14877 96 2S 0.00404 -0.03228 -0.00270 -0.01650 0.15130 97 10 H 1S -0.09811 0.04039 -0.06515 0.05048 0.07715 98 2S -0.07770 0.03776 -0.04257 0.04868 0.06555 99 11 H 1S -0.09793 -0.04085 -0.06517 0.05053 -0.07711 100 2S -0.07752 -0.03812 -0.04259 0.04871 -0.06551 101 12 H 1S 0.00519 0.04744 0.00171 -0.01721 -0.14878 102 2S 0.00393 0.03229 -0.00268 -0.01646 -0.15130 103 13 H 1S 0.13163 -0.00304 0.06576 0.00962 0.01169 104 2S 0.09845 -0.00508 0.05393 0.01197 0.00673 105 14 H 1S 0.13166 0.00367 0.06577 0.00964 -0.01167 106 2S 0.09846 0.00555 0.05394 0.01199 -0.00671 107 15 C 1S -0.01965 -0.03912 0.00119 0.00036 0.01173 108 2S 0.04470 0.07683 -0.00592 -0.00407 -0.01813 109 2PX -0.06157 0.11923 0.07452 0.03510 0.00406 110 2PY 0.00018 0.06447 -0.00055 -0.01630 -0.00909 111 2PZ 0.05088 -0.19257 -0.20303 -0.02438 0.02230 112 3S 0.05288 0.13114 -0.00422 0.00476 -0.08513 113 3PX -0.02744 0.03235 0.01627 0.01110 0.00798 114 3PY 0.00926 -0.00140 -0.00219 -0.00685 0.02885 115 3PZ 0.01724 -0.05469 -0.07786 -0.00587 0.00031 116 4XX -0.00561 -0.00752 -0.00365 -0.00229 -0.00063 117 4YY 0.00142 0.00156 0.00209 0.00056 0.00203 118 4ZZ -0.00054 0.00159 0.00342 0.00105 0.00098 119 4XY -0.00293 0.01267 0.00594 -0.00017 0.00031 120 4XZ -0.00217 0.00508 0.00267 0.00240 0.00030 121 4YZ 0.00253 -0.02116 -0.00408 -0.00022 0.00355 122 16 C 1S -0.01984 0.03903 0.00119 0.00036 -0.01173 123 2S 0.04506 -0.07662 -0.00591 -0.00408 0.01812 124 2PX -0.06099 -0.11952 0.07456 0.03510 -0.00406 125 2PY -0.00049 0.06445 0.00055 0.01631 -0.00908 126 2PZ 0.04996 0.19279 -0.20307 -0.02436 -0.02228 127 3S 0.05350 -0.13090 -0.00419 0.00472 0.08513 128 3PX -0.02728 -0.03249 0.01627 0.01111 -0.00797 129 3PY -0.00925 -0.00144 0.00219 0.00685 0.02886 130 3PZ 0.01699 0.05477 -0.07787 -0.00587 -0.00030 131 4XX -0.00565 0.00749 -0.00366 -0.00229 0.00063 132 4YY 0.00143 -0.00156 0.00209 0.00056 -0.00203 133 4ZZ -0.00053 -0.00160 0.00342 0.00105 -0.00098 134 4XY 0.00287 0.01268 -0.00595 0.00017 0.00031 135 4XZ -0.00215 -0.00509 0.00267 0.00240 -0.00030 136 4YZ -0.00243 -0.02117 0.00408 0.00022 0.00355 137 17 C 1S -0.01425 -0.00003 0.02213 0.00482 0.00000 138 2S 0.02960 0.00007 -0.04355 -0.01007 0.00000 139 2PX -0.14655 -0.00031 0.26764 0.01852 -0.00001 140 2PY -0.00047 0.19255 -0.00003 0.00001 -0.03017 141 2PZ 0.16280 0.00038 -0.02319 -0.04745 -0.00001 142 3S 0.03609 0.00008 -0.06235 -0.01054 0.00000 143 3PX -0.05679 -0.00012 0.09987 0.00632 0.00000 144 3PY -0.00021 0.08481 -0.00001 0.00000 -0.00597 145 3PZ 0.06677 0.00015 -0.00882 -0.01646 0.00000 146 4XX 0.00217 0.00001 -0.01173 -0.00167 0.00000 147 4YY -0.01760 -0.00004 0.02779 0.00656 0.00000 148 4ZZ 0.01538 0.00003 -0.01588 -0.00455 0.00000 149 4XY -0.00002 0.00856 0.00000 0.00000 -0.00155 150 4XZ 0.00032 0.00000 -0.00580 0.00232 0.00000 151 4YZ 0.00001 -0.00422 0.00000 0.00000 0.00340 152 18 O 1S 0.01025 0.01718 -0.01853 -0.00592 -0.00589 153 2S -0.02372 -0.03785 0.04256 0.01227 0.00925 154 2PX 0.12977 -0.22439 -0.19741 -0.04915 0.02980 155 2PY 0.05497 -0.03570 -0.03809 0.01565 0.03583 156 2PZ -0.02770 0.06191 0.09763 0.02822 0.03718 157 3S -0.04559 -0.08344 0.07705 0.02611 0.03737 158 3PX 0.06886 -0.11853 -0.10826 -0.02769 0.02348 159 3PY 0.02781 -0.01186 -0.01582 0.01340 0.01956 160 3PZ -0.00916 0.02663 0.05163 0.01717 0.02469 161 4XX 0.00430 0.00125 -0.00751 -0.00015 -0.00020 162 4YY -0.00404 0.00196 0.00336 -0.00144 -0.00256 163 4ZZ 0.00297 0.00340 -0.00022 -0.00108 -0.00230 164 4XY -0.00541 0.00935 0.00787 0.00225 -0.00096 165 4XZ -0.00455 0.00006 0.00245 0.00178 0.00047 166 4YZ -0.00086 -0.00241 -0.00408 -0.00081 -0.00167 167 19 H 1S -0.01807 0.17737 0.09697 0.00888 -0.02033 168 2S -0.02860 0.13965 0.07202 0.00581 -0.01265 169 20 H 1S -0.01723 -0.17745 0.09700 0.00886 0.02032 170 2S -0.02794 -0.13977 0.07205 0.00581 0.01265 171 21 H 1S 0.12954 0.00029 -0.08173 -0.03915 0.00000 172 2S 0.09071 0.00020 -0.05723 -0.03255 0.00000 173 22 O 1S 0.01033 -0.01713 -0.01853 -0.00592 0.00589 174 2S -0.02391 0.03774 0.04255 0.01227 -0.00925 175 2PX 0.12869 0.22497 -0.19747 -0.04913 -0.02979 176 2PY -0.05479 -0.03593 0.03809 -0.01566 0.03583 177 2PZ -0.02739 -0.06203 0.09764 0.02823 -0.03718 178 3S -0.04599 0.08322 0.07703 0.02613 -0.03737 179 3PX 0.06829 0.11884 -0.10830 -0.02768 -0.02347 180 3PY -0.02775 -0.01198 0.01581 -0.01341 0.01956 181 3PZ -0.00902 -0.02667 0.05164 0.01718 -0.02469 182 4XX 0.00431 -0.00123 -0.00751 -0.00015 0.00020 183 4YY -0.00403 -0.00198 0.00336 -0.00144 0.00256 184 4ZZ 0.00298 -0.00339 -0.00022 -0.00108 0.00230 185 4XY 0.00537 0.00937 -0.00787 -0.00224 -0.00096 186 4XZ -0.00455 -0.00008 0.00245 0.00178 -0.00047 187 4YZ 0.00087 -0.00241 0.00408 0.00081 -0.00167 188 23 H 1S 0.03434 0.00007 -0.14787 0.00073 0.00001 189 2S 0.02403 0.00005 -0.10852 0.00333 0.00001 31 32 33 34 35 O O O O O Eigenvalues -- -0.38849 -0.37954 -0.36267 -0.35121 -0.34583 1 1 C 1S 0.01886 0.00414 -0.00775 -0.00530 -0.00793 2 2S -0.04385 -0.00813 0.00950 0.01309 0.01959 3 2PX -0.07045 0.00818 -0.01646 -0.01406 0.12814 4 2PY -0.18923 -0.11951 0.00625 -0.00271 -0.08251 5 2PZ 0.12421 0.03044 -0.05108 -0.00115 0.01028 6 3S -0.06862 -0.01614 0.08491 0.02824 0.00543 7 3PX -0.02687 0.01340 -0.00883 0.00309 0.07367 8 3PY -0.05031 -0.03672 0.02489 -0.00254 -0.02835 9 3PZ 0.04608 0.01362 -0.05041 -0.00496 0.01502 10 4XX 0.00332 0.00156 -0.00136 -0.00070 0.00004 11 4YY -0.00574 -0.00242 -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 -0.00236 -0.00049 0.00159 -0.00081 0.00108 16 2 C 1S 0.01886 0.00415 0.00775 0.00530 -0.00793 17 2S -0.04385 -0.00813 -0.00950 -0.01310 0.01959 18 2PX -0.07043 0.00820 0.01645 0.01403 0.12817 19 2PY 0.18925 0.11952 0.00618 -0.00276 0.08249 20 2PZ 0.12420 0.03042 0.05110 0.00116 0.01023 21 3S -0.06860 -0.01617 -0.08492 -0.02824 0.00541 22 3PX -0.02686 0.01341 0.00883 -0.00311 0.07367 23 3PY 0.05031 0.03673 0.02487 -0.00256 0.02835 24 3PZ 0.04606 0.01363 0.05042 0.00496 0.01501 25 4XX 0.00332 0.00156 0.00136 0.00070 0.00004 26 4YY -0.00574 -0.00242 0.00511 0.00114 -0.00060 27 4ZZ 0.00860 0.00451 -0.00298 -0.00221 -0.00022 28 4XY -0.00132 -0.00130 0.00157 0.00125 -0.00261 29 4XZ -0.00520 -0.00401 -0.00151 -0.00003 -0.00541 30 4YZ 0.00237 0.00049 0.00159 -0.00081 -0.00109 31 3 C 1S -0.00040 -0.00306 0.00570 0.00693 -0.00639 32 2S 0.00151 0.00762 -0.01716 -0.01695 0.01794 33 2PX 0.01287 0.01471 0.06020 0.02586 0.10670 34 2PY -0.02937 -0.03151 0.12613 0.03698 -0.02176 35 2PZ -0.03670 0.02877 0.04278 0.03894 0.07082 36 3S 0.00557 0.00987 0.02464 -0.02035 0.00488 37 3PX -0.01383 0.00445 0.05212 0.01216 0.05844 38 3PY -0.01080 0.00058 0.01706 0.00497 -0.00418 39 3PZ 0.01705 0.01247 0.03427 0.03619 0.05150 40 4XX 0.00089 -0.00260 0.00103 0.00418 -0.00645 41 4YY -0.00270 -0.00228 0.00598 0.00112 -0.00453 42 4ZZ 0.00052 0.00268 -0.00612 -0.00419 0.00654 43 4XY -0.00422 -0.00450 -0.00171 -0.00075 -0.00246 44 4XZ -0.00120 0.00003 0.00079 0.00185 -0.00081 45 4YZ 0.01047 0.00386 -0.00076 -0.00121 -0.00122 46 4 C 1S -0.01874 -0.01129 0.00689 0.00206 -0.00178 47 2S 0.04058 0.02639 -0.00956 -0.00663 0.00152 48 2PX -0.08381 -0.07657 0.16743 0.14273 -0.08427 49 2PY -0.19836 -0.13957 0.00465 -0.00125 0.06105 50 2PZ 0.12413 0.02482 0.11392 0.10262 -0.05863 51 3S 0.07966 0.03242 -0.06563 -0.00134 0.01409 52 3PX -0.05121 -0.03448 0.08262 0.05861 -0.04109 53 3PY -0.08011 -0.06427 0.02461 0.00644 0.03076 54 3PZ 0.05448 0.01569 0.03587 0.05099 -0.02360 55 4XX -0.00294 -0.00629 0.00588 0.00630 -0.00833 56 4YY 0.00640 0.00441 0.00262 0.00034 -0.00195 57 4ZZ -0.00881 -0.00109 -0.00716 -0.00654 0.00992 58 4XY 0.00006 -0.00016 0.00961 0.00885 -0.00010 59 4XZ -0.00390 -0.00251 0.00325 0.00187 -0.00151 60 4YZ 0.00092 -0.00023 0.00930 0.00752 -0.00009 61 5 C 1S -0.01874 -0.01129 -0.00689 -0.00206 -0.00178 62 2S 0.04058 0.02638 0.00957 0.00663 0.00151 63 2PX -0.08380 -0.07660 -0.16742 -0.14271 -0.08433 64 2PY 0.19839 0.13957 0.00469 -0.00120 -0.06109 65 2PZ 0.12410 0.02479 -0.11393 -0.10261 -0.05863 66 3S 0.07963 0.03244 0.06563 0.00134 0.01409 67 3PX -0.05120 -0.03451 -0.08262 -0.05859 -0.04113 68 3PY 0.08011 0.06429 0.02464 0.00647 -0.03077 69 3PZ 0.05445 0.01567 -0.03589 -0.05100 -0.02359 70 4XX -0.00294 -0.00629 -0.00588 -0.00630 -0.00833 71 4YY 0.00640 0.00441 -0.00261 -0.00033 -0.00195 72 4ZZ -0.00881 -0.00109 0.00715 0.00653 0.00993 73 4XY -0.00007 0.00015 0.00961 0.00885 0.00010 74 4XZ -0.00390 -0.00251 -0.00326 -0.00188 -0.00152 75 4YZ -0.00093 0.00023 0.00930 0.00752 0.00010 76 6 C 1S -0.00040 -0.00306 -0.00570 -0.00693 -0.00639 77 2S 0.00151 0.00762 0.01716 0.01696 0.01794 78 2PX 0.01288 0.01471 -0.06018 -0.02586 0.10672 79 2PY 0.02938 0.03154 0.12611 0.03696 0.02178 80 2PZ -0.03669 0.02875 -0.04285 -0.03899 0.07078 81 3S 0.00561 0.00986 -0.02462 0.02037 0.00485 82 3PX -0.01383 0.00445 -0.05212 -0.01216 0.05843 83 3PY 0.01082 -0.00059 0.01706 0.00496 0.00418 84 3PZ 0.01705 0.01247 -0.03429 -0.03622 0.05149 85 4XX 0.00089 -0.00260 -0.00103 -0.00418 -0.00645 86 4YY -0.00270 -0.00228 -0.00597 -0.00112 -0.00453 87 4ZZ 0.00052 0.00269 0.00612 0.00419 0.00654 88 4XY 0.00422 0.00450 -0.00171 -0.00075 0.00246 89 4XZ -0.00120 0.00003 -0.00079 -0.00185 -0.00081 90 4YZ -0.01047 -0.00386 -0.00075 -0.00121 0.00122 91 7 H 1S 0.12055 0.04958 -0.01525 0.01175 0.01044 92 2S 0.11928 0.04882 -0.00095 0.00445 0.01306 93 8 H 1S 0.12057 0.04957 0.01524 -0.01176 0.01041 94 2S 0.11930 0.04881 0.00094 -0.00445 0.01302 95 9 H 1S -0.02107 -0.01892 0.07142 0.01548 -0.02341 96 2S -0.02025 -0.02649 0.07461 0.03193 -0.02576 97 10 H 1S -0.09372 -0.02349 -0.10146 -0.08837 0.06535 98 2S -0.09643 -0.01930 -0.10005 -0.08311 0.06318 99 11 H 1S -0.09376 -0.02351 0.10141 0.08831 0.06537 100 2S -0.09647 -0.01932 0.10000 0.08306 0.06320 101 12 H 1S -0.02108 -0.01894 -0.07139 -0.01546 -0.02343 102 2S -0.02025 -0.02651 -0.07457 -0.03191 -0.02578 103 13 H 1S -0.05297 -0.06155 -0.11869 -0.10624 -0.05200 104 2S -0.04635 -0.06015 -0.11158 -0.10337 -0.05397 105 14 H 1S -0.05302 -0.06155 0.11867 0.10622 -0.05195 106 2S -0.04639 -0.06016 0.11156 0.10335 -0.05393 107 15 C 1S -0.00536 0.01143 -0.01223 0.01542 -0.00447 108 2S 0.01191 -0.02438 0.02565 -0.03485 0.01597 109 2PX 0.06329 -0.11946 -0.09573 0.08550 -0.14536 110 2PY -0.11742 0.23038 0.00450 0.02353 -0.18103 111 2PZ 0.02590 -0.04972 -0.04162 -0.07331 -0.07958 112 3S 0.02486 -0.04560 0.05271 -0.07163 0.00432 113 3PX 0.03419 -0.05475 -0.06072 0.00089 -0.08093 114 3PY -0.02758 0.05931 -0.01994 0.06545 -0.05892 115 3PZ 0.00512 -0.02497 -0.02722 -0.00319 -0.06471 116 4XX -0.00331 0.00955 0.00702 -0.01075 0.00084 117 4YY 0.00439 -0.00880 -0.00347 0.01020 0.00549 118 4ZZ -0.00385 0.00627 -0.00549 0.00160 -0.01066 119 4XY -0.00345 0.00531 -0.00403 -0.00058 -0.00014 120 4XZ 0.00492 -0.00892 -0.00344 0.00606 0.00359 121 4YZ 0.00192 -0.00362 -0.00541 -0.00105 0.00793 122 16 C 1S -0.00536 0.01143 0.01222 -0.01542 -0.00447 123 2S 0.01191 -0.02438 -0.02564 0.03485 0.01596 124 2PX 0.06328 -0.11944 0.09577 -0.08549 -0.14537 125 2PY 0.11742 -0.23038 0.00453 0.02349 0.18104 126 2PZ 0.02592 -0.04973 0.04162 0.07331 -0.07956 127 3S 0.02487 -0.04560 -0.05269 0.07164 0.00431 128 3PX 0.03418 -0.05473 0.06073 -0.00088 -0.08093 129 3PY 0.02758 -0.05931 -0.01994 0.06544 0.05894 130 3PZ 0.00513 -0.02496 0.02722 0.00319 -0.06471 131 4XX -0.00331 0.00954 -0.00702 0.01075 0.00084 132 4YY 0.00439 -0.00880 0.00348 -0.01020 0.00549 133 4ZZ -0.00385 0.00627 0.00549 -0.00160 -0.01066 134 4XY 0.00345 -0.00532 -0.00403 -0.00058 0.00014 135 4XZ 0.00492 -0.00892 0.00344 -0.00606 0.00359 136 4YZ -0.00192 0.00362 -0.00541 -0.00105 -0.00793 137 17 C 1S 0.01613 -0.02994 0.00000 0.00000 0.02288 138 2S -0.04097 0.07404 -0.00001 0.00000 -0.05581 139 2PX -0.07071 0.12803 0.00000 0.00001 -0.03500 140 2PY 0.00001 -0.00001 0.07700 -0.13512 -0.00001 141 2PZ -0.05922 0.10322 0.00000 -0.00002 0.20388 142 3S -0.04030 0.07739 -0.00001 0.00001 -0.07807 143 3PX -0.02310 0.05228 0.00000 0.00001 -0.03714 144 3PY 0.00000 0.00000 0.00727 0.00273 0.00000 145 3PZ -0.02009 0.02753 0.00000 -0.00001 0.05912 146 4XX -0.00215 0.00363 0.00000 0.00000 -0.01382 147 4YY 0.00708 -0.01380 0.00000 0.00000 0.00257 148 4ZZ -0.00454 0.00872 0.00000 0.00000 0.01489 149 4XY 0.00000 0.00000 0.00316 -0.01643 0.00000 150 4XZ 0.00715 -0.01399 0.00000 0.00000 -0.01267 151 4YZ 0.00000 0.00000 -0.01703 0.01361 0.00000 152 18 O 1S -0.02075 0.03797 0.01953 -0.03009 -0.01777 153 2S 0.04037 -0.07510 -0.03661 0.06087 0.03511 154 2PX -0.05052 0.09529 -0.08890 -0.02277 -0.07144 155 2PY 0.10231 -0.19210 -0.14254 0.33801 0.12043 156 2PZ 0.04942 -0.11011 -0.22308 0.13256 -0.10194 157 3S 0.10037 -0.17943 -0.09433 0.10703 0.08854 158 3PX -0.03134 0.06232 -0.06569 -0.01545 -0.05534 159 3PY 0.06388 -0.12120 -0.09034 0.22456 0.07444 160 3PZ 0.02981 -0.06856 -0.14865 0.09404 -0.06636 161 4XX 0.00133 -0.00311 -0.00290 0.00206 -0.00657 162 4YY -0.00802 0.01401 0.00756 -0.01588 -0.00858 163 4ZZ -0.00361 0.00685 0.00645 -0.00015 0.00655 164 4XY 0.00077 -0.00114 0.00274 0.00341 -0.00057 165 4XZ 0.00198 -0.00373 -0.00015 0.00069 -0.00437 166 4YZ -0.00086 0.00260 0.01083 -0.01030 0.00481 167 19 H 1S -0.04810 0.08528 0.01213 0.03992 -0.06526 168 2S -0.05599 0.08495 0.00483 0.03840 -0.07197 169 20 H 1S -0.04811 0.08529 -0.01213 -0.03990 -0.06527 170 2S -0.05600 0.08495 -0.00484 -0.03839 -0.07198 171 21 H 1S -0.04903 0.09030 -0.00001 -0.00001 0.12355 172 2S -0.03187 0.07215 -0.00001 -0.00001 0.13817 173 22 O 1S -0.02075 0.03797 -0.01953 0.03009 -0.01777 174 2S 0.04037 -0.07509 0.03662 -0.06087 0.03511 175 2PX -0.05052 0.09530 0.08886 0.02277 -0.07143 176 2PY -0.10230 0.19209 -0.14259 0.33804 -0.12037 177 2PZ 0.04940 -0.11005 0.22309 -0.13252 -0.10197 178 3S 0.10037 -0.17943 0.09436 -0.10706 0.08854 179 3PX -0.03134 0.06233 0.06567 0.01546 -0.05534 180 3PY -0.06388 0.12119 -0.09037 0.22458 -0.07440 181 3PZ 0.02980 -0.06852 0.14866 -0.09401 -0.06639 182 4XX 0.00132 -0.00310 0.00290 -0.00206 -0.00657 183 4YY -0.00802 0.01401 -0.00756 0.01588 -0.00857 184 4ZZ -0.00361 0.00685 -0.00645 0.00015 0.00654 185 4XY -0.00077 0.00114 0.00274 0.00341 0.00057 186 4XZ 0.00198 -0.00373 0.00015 -0.00069 -0.00437 187 4YZ 0.00086 -0.00260 0.01083 -0.01030 -0.00481 188 23 H 1S 0.03785 -0.06855 0.00000 0.00000 -0.09775 189 2S 0.04376 -0.07975 0.00000 0.00000 -0.09746 36 37 38 39 40 O O O O O Eigenvalues -- -0.32852 -0.32252 -0.31725 -0.27466 -0.19648 1 1 C 1S 0.00563 0.00159 0.00440 -0.00855 -0.00570 2 2S -0.01409 -0.01626 -0.01509 0.00724 0.01367 3 2PX -0.00124 -0.05411 -0.01187 0.26888 0.18931 4 2PY 0.00339 0.01734 -0.21747 -0.00212 -0.02687 5 2PZ -0.05866 0.19808 -0.01169 0.08589 0.03634 6 3S -0.01890 0.08279 -0.00604 0.06366 -0.02570 7 3PX -0.01689 -0.00125 -0.00418 0.17111 0.12804 8 3PY 0.00374 0.04636 -0.07766 -0.00613 -0.05782 9 3PZ -0.01859 0.02453 -0.01530 0.04376 0.05451 10 4XX 0.00035 0.00214 0.00235 0.00031 0.00260 11 4YY 0.00066 -0.00100 -0.00965 0.00104 0.00290 12 4ZZ -0.00204 0.00376 0.00974 -0.00653 -0.00803 13 4XY -0.00032 0.00446 0.00060 0.00713 -0.01348 14 4XZ 0.00393 -0.00630 -0.00529 -0.00253 -0.00678 15 4YZ 0.00520 -0.01618 -0.00469 0.00518 -0.00061 16 2 C 1S -0.00563 -0.00159 0.00440 -0.00855 0.00570 17 2S 0.01410 0.01625 -0.01510 0.00724 -0.01367 18 2PX 0.00127 0.05409 -0.01185 0.26890 -0.18939 19 2PY 0.00344 0.01736 0.21747 0.00209 -0.02686 20 2PZ 0.05865 -0.19808 -0.01166 0.08588 -0.03637 21 3S 0.01891 -0.08280 -0.00605 0.06363 0.02569 22 3PX 0.01692 0.00125 -0.00417 0.17111 -0.12811 23 3PY 0.00376 0.04637 0.07765 0.00612 -0.05782 24 3PZ 0.01858 -0.02454 -0.01529 0.04377 -0.05453 25 4XX -0.00035 -0.00213 0.00235 0.00031 -0.00260 26 4YY -0.00066 0.00099 -0.00965 0.00104 -0.00290 27 4ZZ 0.00204 -0.00376 0.00974 -0.00653 0.00803 28 4XY -0.00032 0.00446 -0.00060 -0.00713 -0.01347 29 4XZ -0.00393 0.00629 -0.00529 -0.00253 0.00678 30 4YZ 0.00520 -0.01618 0.00470 -0.00518 -0.00061 31 3 C 1S -0.00833 -0.00156 -0.00140 0.01294 -0.01335 32 2S 0.02231 -0.00065 0.00835 -0.02453 0.02678 33 2PX 0.07204 -0.14648 0.06574 0.10775 -0.26162 34 2PY -0.02893 0.02825 -0.19002 0.06200 -0.08044 35 2PZ -0.07281 0.21885 0.01471 0.07731 -0.14971 36 3S 0.00860 0.04621 -0.01565 -0.06976 0.05649 37 3PX 0.03464 -0.05228 0.02141 0.06687 -0.21432 38 3PY -0.00705 -0.02671 -0.05529 0.06264 -0.03312 39 3PZ -0.03573 0.08820 0.01113 0.04909 -0.11544 40 4XX -0.00405 -0.00651 0.00654 -0.00236 0.00661 41 4YY -0.00127 0.00334 -0.02105 0.00185 -0.00182 42 4ZZ 0.00332 0.00152 0.01063 0.00494 -0.00610 43 4XY -0.00194 0.00373 0.00367 -0.00536 0.00225 44 4XZ -0.00270 0.00275 -0.00449 0.01141 -0.00600 45 4YZ 0.00260 -0.00792 0.00111 -0.00085 0.00136 46 4 C 1S -0.00463 0.00716 0.00600 0.00321 -0.00760 47 2S 0.00897 -0.01884 -0.01693 -0.00825 0.01062 48 2PX -0.15279 0.11126 -0.03082 -0.01512 0.06440 49 2PY 0.00853 -0.01624 0.26997 -0.06319 -0.01230 50 2PZ -0.00383 -0.21044 0.02782 -0.04124 0.04987 51 3S 0.02711 -0.04959 -0.00458 -0.01194 0.08245 52 3PX -0.08209 0.06699 -0.02645 -0.01009 0.03325 53 3PY -0.00286 -0.00699 0.13437 -0.04400 -0.02244 54 3PZ -0.00717 -0.11142 0.02325 0.00287 0.01925 55 4XX -0.00660 -0.00250 0.00613 -0.00782 0.01451 56 4YY 0.00017 -0.00074 -0.01200 0.00201 -0.00376 57 4ZZ 0.00372 0.00669 0.00847 0.00560 -0.01197 58 4XY -0.00938 0.00668 0.00336 -0.00079 0.00419 59 4XZ -0.00402 0.00620 -0.00162 0.00110 -0.00056 60 4YZ -0.00067 -0.01335 -0.00239 0.00168 0.00092 61 5 C 1S 0.00464 -0.00715 0.00600 0.00321 0.00759 62 2S -0.00898 0.01883 -0.01693 -0.00825 -0.01058 63 2PX 0.15278 -0.11128 -0.03088 -0.01511 -0.06443 64 2PY 0.00845 -0.01629 -0.26996 0.06317 -0.01227 65 2PZ 0.00383 0.21046 0.02776 -0.04127 -0.04986 66 3S -0.02711 0.04959 -0.00457 -0.01191 -0.08238 67 3PX 0.08208 -0.06701 -0.02648 -0.01012 -0.03324 68 3PY -0.00290 -0.00701 -0.13436 0.04401 -0.02244 69 3PZ 0.00718 0.11143 0.02322 0.00287 -0.01924 70 4XX 0.00660 0.00250 0.00612 -0.00782 -0.01452 71 4YY -0.00017 0.00073 -0.01200 0.00201 0.00377 72 4ZZ -0.00371 -0.00668 0.00848 0.00560 0.01197 73 4XY -0.00938 0.00668 -0.00336 0.00079 0.00420 74 4XZ 0.00403 -0.00619 -0.00162 0.00109 0.00055 75 4YZ -0.00067 -0.01336 0.00241 -0.00168 0.00092 76 6 C 1S 0.00833 0.00157 -0.00140 0.01294 0.01334 77 2S -0.02231 0.00065 0.00836 -0.02454 -0.02678 78 2PX -0.07204 0.14652 0.06572 0.10771 0.26163 79 2PY -0.02887 0.02825 0.19003 -0.06199 -0.08045 80 2PZ 0.07283 -0.21885 0.01473 0.07733 0.14975 81 3S -0.00862 -0.04622 -0.01565 -0.06982 -0.05649 82 3PX -0.03465 0.05228 0.02139 0.06684 0.21432 83 3PY -0.00704 -0.02671 0.05530 -0.06266 -0.03313 84 3PZ 0.03574 -0.08819 0.01113 0.04911 0.11547 85 4XX 0.00405 0.00652 0.00653 -0.00236 -0.00661 86 4YY 0.00126 -0.00335 -0.02105 0.00185 0.00182 87 4ZZ -0.00332 -0.00152 0.01063 0.00495 0.00610 88 4XY -0.00194 0.00373 -0.00367 0.00536 0.00226 89 4XZ 0.00270 -0.00275 -0.00449 0.01141 0.00600 90 4YZ 0.00260 -0.00792 -0.00110 0.00085 0.00136 91 7 H 1S -0.04496 0.12972 0.07676 -0.02526 -0.02834 92 2S -0.04272 0.16013 0.08730 -0.02213 -0.04489 93 8 H 1S 0.04497 -0.12970 0.07679 -0.02526 0.02833 94 2S 0.04274 -0.16010 0.08734 -0.02214 0.04489 95 9 H 1S -0.01495 0.02976 -0.15642 0.02272 -0.02018 96 2S -0.01824 0.04245 -0.17273 0.02419 -0.04836 97 10 H 1S 0.02912 0.11870 0.05350 0.01890 -0.06559 98 2S 0.02131 0.12421 0.05980 0.04917 -0.10792 99 11 H 1S -0.02907 -0.11871 0.05360 0.01890 0.06557 100 2S -0.02125 -0.12421 0.05992 0.04916 0.10786 101 12 H 1S 0.01491 -0.02980 -0.15643 0.02272 0.02019 102 2S 0.01820 -0.04250 -0.17273 0.02418 0.04837 103 13 H 1S 0.09804 -0.02594 0.04325 -0.04241 -0.08358 104 2S 0.09494 -0.02515 0.04671 -0.04275 -0.10283 105 14 H 1S -0.09803 0.02600 0.04333 -0.04240 0.08355 106 2S -0.09493 0.02522 0.04679 -0.04277 0.10275 107 15 C 1S 0.02811 0.00907 -0.00006 -0.00738 -0.00321 108 2S -0.06341 -0.02172 -0.00183 0.02133 0.00199 109 2PX -0.06184 -0.02454 0.05206 0.06479 0.06588 110 2PY -0.01675 -0.00566 0.06287 0.02473 -0.00232 111 2PZ -0.04909 -0.01971 0.03171 0.02878 0.08588 112 3S -0.09261 -0.02110 -0.00414 -0.00225 0.02122 113 3PX -0.07207 -0.04379 0.03755 0.05214 0.05109 114 3PY 0.01194 -0.00504 0.01516 0.00544 0.04371 115 3PZ -0.01566 0.01214 0.02391 0.01898 0.05129 116 4XX 0.00886 0.00254 -0.00148 -0.01078 0.00786 117 4YY 0.00599 0.00209 -0.00266 0.00081 -0.00127 118 4ZZ -0.01154 -0.00353 0.00436 0.00764 -0.00485 119 4XY -0.01009 -0.00335 -0.00113 0.00056 0.00410 120 4XZ 0.00530 0.00187 -0.00245 -0.00767 0.00825 121 4YZ 0.00130 0.00022 -0.00304 -0.00174 0.00643 122 16 C 1S -0.02811 -0.00907 -0.00005 -0.00738 0.00321 123 2S 0.06341 0.02172 -0.00184 0.02132 -0.00200 124 2PX 0.06184 0.02458 0.05204 0.06478 -0.06598 125 2PY -0.01675 -0.00569 -0.06286 -0.02472 -0.00228 126 2PZ 0.04910 0.01974 0.03170 0.02878 -0.08598 127 3S 0.09261 0.02110 -0.00417 -0.00224 -0.02126 128 3PX 0.07207 0.04382 0.03753 0.05213 -0.05118 129 3PY 0.01194 -0.00505 -0.01516 -0.00543 0.04374 130 3PZ 0.01566 -0.01212 0.02392 0.01900 -0.05136 131 4XX -0.00886 -0.00254 -0.00148 -0.01077 -0.00787 132 4YY -0.00599 -0.00209 -0.00265 0.00081 0.00127 133 4ZZ 0.01154 0.00353 0.00436 0.00764 0.00486 134 4XY -0.01009 -0.00335 0.00113 -0.00055 0.00409 135 4XZ -0.00530 -0.00188 -0.00245 -0.00767 -0.00825 136 4YZ 0.00130 0.00022 0.00304 0.00174 0.00642 137 17 C 1S 0.00000 0.00000 -0.00621 -0.00533 0.00000 138 2S 0.00000 0.00000 0.01556 0.01466 -0.00001 139 2PX 0.00000 -0.00001 -0.00823 -0.05051 -0.00002 140 2PY -0.10183 -0.01902 0.00002 0.00000 0.03312 141 2PZ 0.00000 -0.00003 -0.06963 -0.11480 -0.00002 142 3S 0.00000 0.00000 0.01864 0.01753 -0.00001 143 3PX 0.00000 0.00000 0.00534 -0.01872 0.00000 144 3PY -0.00618 0.00207 0.00000 0.00000 0.04263 145 3PZ 0.00000 -0.00001 -0.01477 -0.00286 0.00001 146 4XX 0.00000 0.00000 0.00655 0.01595 0.00001 147 4YY 0.00000 0.00000 -0.00246 -0.00581 0.00000 148 4ZZ 0.00000 0.00000 -0.00533 -0.01160 0.00000 149 4XY -0.01950 -0.00616 0.00000 0.00000 -0.00524 150 4XZ 0.00000 0.00000 0.00635 0.01626 0.00000 151 4YZ -0.01355 -0.00622 0.00000 0.00000 -0.00904 152 18 O 1S -0.01645 -0.00224 0.00292 -0.00339 0.00912 153 2S 0.03498 0.00669 -0.00601 0.00397 -0.02171 154 2PX -0.15368 -0.06788 0.05101 0.14020 -0.09554 155 2PY 0.22678 0.06372 -0.03337 -0.02711 0.02447 156 2PZ -0.26623 -0.10455 0.05286 0.18923 -0.11214 157 3S 0.05341 -0.00884 -0.01073 0.03364 -0.05322 158 3PX -0.11554 -0.05263 0.03707 0.10661 -0.06923 159 3PY 0.15534 0.04714 -0.02445 -0.03023 0.02285 160 3PZ -0.18581 -0.07139 0.03393 0.12846 -0.09016 161 4XX -0.00406 -0.00093 0.00258 0.00356 0.00380 162 4YY -0.01146 -0.00266 0.00179 0.00220 -0.00203 163 4ZZ 0.00766 0.00326 -0.00291 -0.00935 -0.00004 164 4XY 0.00719 0.00337 -0.00107 -0.00469 0.00351 165 4XZ 0.00203 0.00107 0.00090 -0.00013 0.00308 166 4YZ 0.00739 0.00312 -0.00243 -0.00626 0.00414 167 19 H 1S -0.03696 -0.00886 0.02568 0.03206 -0.05695 168 2S -0.01607 0.01070 0.03065 0.04242 -0.09863 169 20 H 1S 0.03696 0.00886 0.02566 0.03205 0.05696 170 2S 0.01607 -0.01069 0.03065 0.04242 0.09865 171 21 H 1S 0.00000 -0.00002 -0.04454 -0.09022 -0.00002 172 2S 0.00000 -0.00002 -0.05240 -0.13792 -0.00003 173 22 O 1S 0.01645 0.00225 0.00291 -0.00339 -0.00912 174 2S -0.03498 -0.00669 -0.00601 0.00397 0.02172 175 2PX 0.15368 0.06791 0.05097 0.14019 0.09564 176 2PY 0.22675 0.06373 0.03331 0.02709 0.02446 177 2PZ 0.26626 0.10460 0.05280 0.18921 0.11229 178 3S -0.05340 0.00884 -0.01072 0.03361 0.05323 179 3PX 0.11554 0.05265 0.03704 0.10659 0.06932 180 3PY 0.15532 0.04715 0.02441 0.03021 0.02283 181 3PZ 0.18583 0.07142 0.03389 0.12845 0.09028 182 4XX 0.00406 0.00093 0.00258 0.00356 -0.00381 183 4YY 0.01146 0.00266 0.00178 0.00220 0.00203 184 4ZZ -0.00766 -0.00327 -0.00290 -0.00935 0.00004 185 4XY 0.00719 0.00337 0.00106 0.00469 0.00351 186 4XZ -0.00203 -0.00107 0.00090 -0.00013 -0.00308 187 4YZ 0.00740 0.00312 0.00243 0.00626 0.00414 188 23 H 1S 0.00000 0.00002 0.04781 0.11326 0.00003 189 2S 0.00000 0.00002 0.05322 0.13719 0.00006 41 42 43 44 45 O V V V V Eigenvalues -- -0.19050 -0.00462 0.01544 0.08100 0.10930 1 1 C 1S -0.00218 -0.00427 -0.00497 -0.02227 -0.02046 2 2S 0.00138 0.01118 0.00502 0.05014 0.04529 3 2PX -0.15097 -0.16806 0.23521 -0.01652 0.20715 4 2PY 0.02632 0.03585 -0.00129 -0.02029 0.01415 5 2PZ -0.07714 -0.06515 0.11312 0.04495 0.08050 6 3S -0.00287 0.03432 0.02701 0.19015 0.19067 7 3PX -0.13440 -0.22133 0.30283 -0.07396 0.33345 8 3PY 0.02423 0.01855 -0.05341 -0.04063 -0.07081 9 3PZ -0.07259 -0.08803 0.15221 0.11424 0.19134 10 4XX 0.00035 0.00747 0.00040 -0.00270 -0.00384 11 4YY 0.00005 0.00489 -0.00188 0.00452 -0.00761 12 4ZZ -0.00356 -0.01288 -0.00099 -0.00463 0.00878 13 4XY -0.00616 -0.01705 -0.01284 -0.00414 -0.00699 14 4XZ -0.00249 -0.01012 0.00094 0.00252 0.00479 15 4YZ -0.00166 -0.00152 -0.00534 0.00837 -0.00500 16 2 C 1S -0.00219 -0.00427 0.00497 -0.02227 0.02040 17 2S 0.00139 0.01117 -0.00501 0.05015 -0.04521 18 2PX -0.15087 -0.16799 -0.23528 -0.01645 -0.20734 19 2PY -0.02629 -0.03584 -0.00128 0.02031 0.01421 20 2PZ -0.07711 -0.06509 -0.11314 0.04497 -0.08035 21 3S -0.00288 0.03433 -0.02699 0.19022 -0.18987 22 3PX -0.13433 -0.22122 -0.30295 -0.07385 -0.33375 23 3PY -0.02418 -0.01849 -0.05339 0.04067 -0.07059 24 3PZ -0.07254 -0.08799 -0.15222 0.11425 -0.19106 25 4XX 0.00036 0.00748 -0.00040 -0.00270 0.00382 26 4YY 0.00005 0.00489 0.00189 0.00452 0.00762 27 4ZZ -0.00356 -0.01288 0.00098 -0.00463 -0.00879 28 4XY 0.00617 0.01706 -0.01283 0.00415 -0.00697 29 4XZ -0.00250 -0.01013 -0.00094 0.00252 -0.00479 30 4YZ 0.00166 0.00152 -0.00534 -0.00837 -0.00502 31 3 C 1S -0.00526 0.02783 -0.01040 -0.02659 0.00912 32 2S 0.01905 -0.04872 0.04251 0.04840 -0.02012 33 2PX 0.04890 0.29134 -0.02487 0.03290 0.17700 34 2PY 0.00442 0.09085 -0.01666 0.08388 0.07819 35 2PZ 0.01303 0.17750 0.00089 0.01119 0.12584 36 3S -0.02437 -0.21196 -0.03638 0.33486 -0.05943 37 3PX 0.02179 0.37346 -0.04537 0.01896 0.16846 38 3PY 0.02783 0.10331 -0.00022 0.14694 0.16226 39 3PZ 0.03417 0.21149 0.02565 0.06726 0.27879 40 4XX -0.00180 0.00834 -0.00239 -0.00052 0.01076 41 4YY 0.00211 0.00243 0.00417 -0.00943 -0.00296 42 4ZZ -0.00324 -0.00201 -0.00511 0.00484 -0.00554 43 4XY -0.00074 0.00666 0.00009 0.00460 0.00762 44 4XZ -0.01064 -0.00181 -0.02051 -0.00521 -0.01015 45 4YZ -0.00187 0.00214 -0.00100 0.00182 0.00538 46 4 C 1S -0.01252 -0.00843 -0.01423 -0.05479 -0.02464 47 2S 0.02810 0.02007 0.02700 0.07344 0.02673 48 2PX -0.04463 -0.00878 -0.03097 0.02564 -0.01222 49 2PY 0.00138 -0.02695 0.02455 0.06467 0.06932 50 2PZ 0.02159 0.03616 0.04196 -0.12767 -0.00602 51 3S 0.08929 0.04311 0.14078 0.81088 0.42595 52 3PX -0.00909 -0.01202 -0.00958 0.07730 0.03797 53 3PY 0.02201 -0.01271 0.05871 0.21427 0.15310 54 3PZ 0.02238 0.05436 0.04670 -0.32521 -0.01152 55 4XX -0.00536 -0.01872 -0.00160 -0.00644 -0.01583 56 4YY 0.00279 0.00610 0.00038 0.00135 0.00291 57 4ZZ 0.00249 0.01172 -0.00114 -0.00734 0.00782 58 4XY -0.00045 0.00090 -0.00141 -0.00219 0.00005 59 4XZ -0.00228 0.00406 -0.00232 -0.00375 0.00004 60 4YZ 0.00074 0.00588 0.00174 0.00940 0.00334 61 5 C 1S -0.01253 -0.00843 0.01422 -0.05479 0.02474 62 2S 0.02810 0.02008 -0.02700 0.07343 -0.02686 63 2PX -0.04459 -0.00881 0.03098 0.02567 0.01177 64 2PY -0.00137 0.02691 0.02455 -0.06473 0.06940 65 2PZ 0.02162 0.03616 -0.04195 -0.12763 0.00591 66 3S 0.08938 0.04312 -0.14077 0.81073 -0.42765 67 3PX -0.00909 -0.01208 0.00957 0.07747 -0.03928 68 3PY -0.02199 0.01261 0.05870 -0.21446 0.15369 69 3PZ 0.02242 0.05436 -0.04670 -0.32510 0.01121 70 4XX -0.00535 -0.01872 0.00159 -0.00644 0.01587 71 4YY 0.00279 0.00610 -0.00038 0.00135 -0.00291 72 4ZZ 0.00248 0.01172 0.00115 -0.00734 -0.00782 73 4XY 0.00045 -0.00090 -0.00141 0.00219 0.00002 74 4XZ -0.00228 0.00405 0.00232 -0.00375 -0.00001 75 4YZ -0.00074 -0.00588 0.00174 -0.00940 0.00332 76 6 C 1S -0.00527 0.02783 0.01041 -0.02659 -0.00915 77 2S 0.01906 -0.04871 -0.04253 0.04838 0.02014 78 2PX 0.04875 0.29130 0.02498 0.03292 -0.17702 79 2PY -0.00438 -0.09085 -0.01669 -0.08389 0.07804 80 2PZ 0.01296 0.17754 -0.00081 0.01122 -0.12580 81 3S -0.02436 -0.21200 0.03630 0.33489 0.05981 82 3PX 0.02165 0.37340 0.04553 0.01898 -0.16820 83 3PY -0.02782 -0.10330 -0.00027 -0.14686 0.16168 84 3PZ 0.03412 0.21158 -0.02555 0.06734 -0.27864 85 4XX -0.00180 0.00834 0.00239 -0.00052 -0.01077 86 4YY 0.00211 0.00244 -0.00417 -0.00944 0.00295 87 4ZZ -0.00325 -0.00201 0.00511 0.00484 0.00555 88 4XY 0.00074 -0.00666 0.00009 -0.00460 0.00761 89 4XZ -0.01064 -0.00182 0.02051 -0.00521 0.01015 90 4YZ 0.00187 -0.00214 -0.00101 -0.00181 0.00535 91 7 H 1S -0.00752 -0.01417 -0.01209 -0.03185 -0.00851 92 2S 0.00222 -0.06324 -0.04539 -0.35480 -0.11161 93 8 H 1S -0.00753 -0.01416 0.01208 -0.03186 0.00844 94 2S 0.00219 -0.06323 0.04534 -0.35481 0.11049 95 9 H 1S 0.01005 0.01404 0.01526 -0.03105 -0.01495 96 2S 0.00752 0.06145 0.01900 -0.43942 -0.14744 97 10 H 1S 0.00770 0.02716 -0.00748 -0.03821 0.02881 98 2S -0.00161 0.12746 -0.03821 -0.80721 -0.15983 99 11 H 1S 0.00766 0.02714 0.00749 -0.03821 -0.02888 100 2S -0.00168 0.12737 0.03827 -0.80719 0.15988 101 12 H 1S 0.01004 0.01405 -0.01526 -0.03105 0.01493 102 2S 0.00749 0.06146 -0.01899 -0.43938 0.14669 103 13 H 1S -0.02466 -0.05664 0.00836 -0.01520 0.06056 104 2S -0.07223 -0.17614 0.08799 -0.38030 0.35431 105 14 H 1S -0.02472 -0.05664 -0.00839 -0.01520 -0.06037 106 2S -0.07229 -0.17612 -0.08806 -0.38032 -0.35170 107 15 C 1S 0.01540 -0.01253 0.04275 -0.03551 -0.05560 108 2S -0.03324 0.03734 -0.09867 0.06352 0.11704 109 2PX -0.21256 0.14640 -0.24254 0.04330 0.03575 110 2PY -0.06650 0.02705 -0.07024 0.09702 0.10485 111 2PZ -0.19737 0.09827 -0.23161 -0.07924 0.06521 112 3S -0.09782 0.00911 -0.17571 0.51308 0.46453 113 3PX -0.16602 0.16573 -0.37681 0.06515 0.12702 114 3PY -0.06748 0.00716 -0.21103 0.23035 0.23579 115 3PZ -0.13179 0.10726 -0.15614 -0.15867 -0.12332 116 4XX -0.01089 -0.00741 0.00214 -0.00634 -0.01312 117 4YY -0.00048 0.00140 0.00199 0.00073 0.00057 118 4ZZ 0.01341 -0.00072 0.00930 -0.00030 -0.00215 119 4XY 0.01253 -0.01299 -0.01124 -0.00282 -0.00086 120 4XZ -0.00001 -0.01007 -0.00280 0.00198 0.00467 121 4YZ 0.01078 -0.01229 -0.01049 0.00173 -0.00006 122 16 C 1S 0.01540 -0.01252 -0.04276 -0.03552 0.05564 123 2S -0.03325 0.03730 0.09869 0.06353 -0.11716 124 2PX -0.21252 0.14631 0.24258 0.04333 -0.03561 125 2PY 0.06650 -0.02702 -0.07026 -0.09703 0.10482 126 2PZ -0.19732 0.09818 0.23165 -0.07922 -0.06553 127 3S -0.09781 0.00906 0.17575 0.51317 -0.46472 128 3PX -0.16599 0.16560 0.37685 0.06515 -0.12634 129 3PY 0.06746 -0.00707 -0.21104 -0.23040 0.23595 130 3PZ -0.13174 0.10722 0.15618 -0.15868 0.12263 131 4XX -0.01089 -0.00741 -0.00214 -0.00634 0.01314 132 4YY -0.00048 0.00140 -0.00199 0.00073 -0.00059 133 4ZZ 0.01340 -0.00072 -0.00930 -0.00030 0.00214 134 4XY -0.01253 0.01300 -0.01124 0.00282 -0.00084 135 4XZ 0.00000 -0.01007 0.00279 0.00198 -0.00469 136 4YZ -0.01079 0.01229 -0.01049 -0.00173 -0.00010 137 17 C 1S 0.01259 -0.00370 0.00000 -0.02421 -0.00002 138 2S -0.03914 0.00989 0.00000 0.04997 0.00004 139 2PX -0.06704 -0.00598 0.00000 0.00154 -0.00008 140 2PY -0.00001 0.00003 -0.11138 -0.00002 0.23891 141 2PZ -0.05254 -0.01234 0.00000 0.01880 0.00005 142 3S -0.04482 0.01619 0.00001 0.26760 0.00036 143 3PX 0.03404 -0.01223 -0.00001 -0.04387 -0.00023 144 3PY -0.00001 0.00004 -0.17659 -0.00004 0.61377 145 3PZ 0.02466 0.01995 0.00000 0.07389 0.00011 146 4XX 0.01673 -0.00258 0.00000 -0.00503 0.00000 147 4YY -0.00644 0.00085 0.00000 -0.00201 -0.00001 148 4ZZ -0.00611 -0.00134 0.00000 -0.00246 0.00000 149 4XY 0.00000 0.00000 0.01134 0.00000 -0.01855 150 4XZ 0.01481 -0.00080 0.00000 0.00335 0.00000 151 4YZ 0.00000 0.00000 0.00443 0.00000 0.00614 152 18 O 1S -0.00443 -0.00330 -0.01724 0.00685 0.04746 153 2S 0.00536 0.00137 0.03496 -0.00025 -0.08534 154 2PX 0.15722 -0.03350 0.06700 -0.00118 0.01771 155 2PY 0.01652 -0.00728 -0.04074 0.00027 0.07650 156 2PZ 0.22771 -0.08493 0.07228 0.02207 -0.01654 157 3S 0.01804 0.05565 0.11878 -0.09204 -0.47713 158 3PX 0.13751 -0.02802 0.04518 -0.01874 0.09623 159 3PY 0.02173 -0.02275 -0.03193 -0.02892 0.13512 160 3PZ 0.18736 -0.09191 0.10366 0.03327 -0.01828 161 4XX -0.00401 0.00161 -0.01856 0.00835 0.02607 162 4YY -0.00254 -0.00198 -0.00010 0.00586 0.00079 163 4ZZ -0.00013 -0.00502 0.00519 0.00616 0.01171 164 4XY -0.00711 -0.00057 -0.00178 0.00427 -0.00240 165 4XZ 0.00123 0.00053 0.00291 -0.00252 -0.00578 166 4YZ -0.00379 -0.00122 -0.00134 -0.00270 -0.00049 167 19 H 1S 0.02332 0.03618 0.06705 -0.00915 -0.03298 168 2S 0.06033 0.08348 0.30333 -0.61191 -0.55436 169 20 H 1S 0.02330 0.03620 -0.06705 -0.00914 0.03288 170 2S 0.06028 0.08361 -0.30330 -0.61204 0.55354 171 21 H 1S -0.06865 0.00372 0.00000 -0.01649 0.00002 172 2S -0.08062 0.00153 -0.00001 -0.25709 -0.00030 173 22 O 1S -0.00442 -0.00331 0.01724 0.00686 -0.04754 174 2S 0.00535 0.00139 -0.03496 -0.00026 0.08548 175 2PX 0.15717 -0.03345 -0.06702 -0.00119 -0.01741 176 2PY -0.01656 0.00731 -0.04074 -0.00029 0.07663 177 2PZ 0.22766 -0.08489 -0.07230 0.02206 0.01640 178 3S 0.01799 0.05572 -0.11877 -0.09213 0.47810 179 3PX 0.13747 -0.02799 -0.04520 -0.01875 -0.09573 180 3PY -0.02176 0.02277 -0.03192 0.02889 0.13544 181 3PZ 0.18733 -0.09187 -0.10369 0.03327 0.01799 182 4XX -0.00401 0.00161 0.01856 0.00836 -0.02609 183 4YY -0.00254 -0.00198 0.00010 0.00587 -0.00080 184 4ZZ -0.00013 -0.00502 -0.00519 0.00616 -0.01173 185 4XY 0.00710 0.00057 -0.00178 -0.00426 -0.00240 186 4XZ 0.00123 0.00053 -0.00291 -0.00252 0.00577 187 4YZ 0.00379 0.00122 -0.00134 0.00270 -0.00049 188 23 H 1S 0.10159 -0.00931 0.00000 -0.00455 0.00001 189 2S 0.20299 -0.04200 -0.00001 -0.11456 -0.00028 46 47 48 49 50 V V V V V Eigenvalues -- 0.11267 0.11965 0.13058 0.13383 0.14565 1 1 C 1S -0.01380 0.03205 0.02476 -0.00695 -0.00055 2 2S 0.02297 -0.05365 -0.02324 0.00432 -0.01582 3 2PX -0.05369 0.07403 0.01660 0.10057 -0.15145 4 2PY -0.00399 0.07116 0.06044 -0.03905 -0.03837 5 2PZ 0.02430 -0.10529 -0.09651 0.08506 -0.01519 6 3S 0.16776 -0.61248 -0.45504 0.15534 0.26829 7 3PX -0.08559 0.08297 0.08800 0.10837 -0.25756 8 3PY -0.04171 0.22511 0.11316 0.09501 0.04998 9 3PZ 0.04881 -0.22027 -0.18103 0.22144 -0.04472 10 4XX -0.00471 0.00251 0.00057 -0.00572 -0.00037 11 4YY 0.00299 -0.00255 0.00086 0.00496 0.00778 12 4ZZ -0.00340 0.00061 0.00590 -0.00180 -0.00591 13 4XY -0.00454 0.00162 0.00314 -0.00428 0.00404 14 4XZ -0.00052 -0.00226 -0.00385 0.00438 -0.00349 15 4YZ 0.00342 -0.00883 -0.01199 -0.00338 0.00295 16 2 C 1S -0.01384 0.03206 0.02477 0.00697 0.00053 17 2S 0.02307 -0.05366 -0.02326 -0.00433 0.01585 18 2PX -0.05316 0.07395 0.01663 -0.10051 0.15143 19 2PY 0.00394 -0.07116 -0.06045 -0.03912 -0.03834 20 2PZ 0.02452 -0.10529 -0.09649 -0.08516 0.01522 21 3S 0.16830 -0.61252 -0.45509 -0.15600 -0.26788 22 3PX -0.08470 0.08278 0.08804 -0.10824 0.25751 23 3PY 0.04186 -0.22521 -0.11329 0.09478 0.05018 24 3PZ 0.04923 -0.22022 -0.18106 -0.22163 0.04479 25 4XX -0.00472 0.00251 0.00057 0.00572 0.00037 26 4YY 0.00297 -0.00255 0.00086 -0.00495 -0.00778 27 4ZZ -0.00337 0.00061 0.00590 0.00181 0.00591 28 4XY 0.00456 -0.00162 -0.00314 -0.00428 0.00404 29 4XZ -0.00050 -0.00226 -0.00385 -0.00438 0.00349 30 4YZ -0.00341 0.00883 0.01199 -0.00337 0.00295 31 3 C 1S 0.00072 0.01269 0.02934 0.03312 0.00927 32 2S -0.00703 -0.02566 -0.04277 -0.04903 -0.01065 33 2PX -0.00299 0.05738 0.02776 0.10630 -0.09217 34 2PY 0.03224 -0.05319 -0.09085 -0.11854 -0.12978 35 2PZ 0.02922 0.00671 0.00142 0.06322 -0.06818 36 3S 0.03733 -0.13479 -0.42107 -0.60989 -0.21422 37 3PX 0.10397 0.09739 0.04139 0.20850 -0.16321 38 3PY 0.12175 -0.17175 -0.28532 -0.36172 -0.41657 39 3PZ 0.08938 0.14264 0.09933 -0.05612 -0.06594 40 4XX -0.00617 -0.00254 -0.00028 0.01177 -0.00480 41 4YY 0.00153 0.00836 0.01058 -0.00097 0.00369 42 4ZZ 0.00386 -0.00194 -0.00336 -0.00412 0.00138 43 4XY 0.00610 0.00278 0.00005 0.00301 -0.01105 44 4XZ 0.00075 0.00457 0.00074 0.00075 0.00220 45 4YZ 0.00885 -0.00204 -0.00200 -0.00261 -0.00308 46 4 C 1S 0.03723 -0.00448 -0.00014 0.05303 -0.02584 47 2S -0.04927 -0.01085 -0.00891 -0.03704 0.04196 48 2PX -0.17726 -0.00087 -0.01686 -0.01340 -0.01048 49 2PY -0.03677 0.02102 0.01263 -0.02194 -0.05923 50 2PZ -0.04585 -0.09445 -0.03337 0.12570 -0.01919 51 3S -0.60923 0.20272 0.10643 -1.06600 0.28318 52 3PX -0.50189 -0.04396 -0.02178 -0.03289 0.03835 53 3PY -0.19742 0.09719 0.09890 0.15716 -0.09409 54 3PZ -0.14702 -0.25359 -0.09452 0.36928 -0.11254 55 4XX 0.01387 -0.00187 -0.00191 -0.00088 0.00497 56 4YY -0.00152 -0.00272 -0.00097 0.00549 -0.01001 57 4ZZ -0.00323 0.00171 0.00367 0.00710 -0.00089 58 4XY 0.01043 0.00389 0.00526 0.00117 -0.00027 59 4XZ 0.00728 -0.00488 -0.00346 0.00107 -0.00276 60 4YZ 0.00675 0.00113 -0.00426 0.00406 -0.00401 61 5 C 1S 0.03716 -0.00443 -0.00011 -0.05305 0.02583 62 2S -0.04919 -0.01089 -0.00893 0.03704 -0.04192 63 2PX -0.17727 -0.00083 -0.01683 0.01347 0.01030 64 2PY 0.03651 -0.02102 -0.01264 -0.02202 -0.05921 65 2PZ -0.04594 -0.09436 -0.03328 -0.12578 0.01911 66 3S -0.60813 0.20184 0.10574 1.06652 -0.28316 67 3PX -0.50167 -0.04381 -0.02167 0.03302 -0.03877 68 3PY 0.19673 -0.09730 -0.09902 0.15682 -0.09413 69 3PZ -0.14745 -0.25335 -0.09425 -0.36954 0.11225 70 4XX 0.01382 -0.00187 -0.00191 0.00088 -0.00497 71 4YY -0.00151 -0.00271 -0.00096 -0.00549 0.01001 72 4ZZ -0.00320 0.00171 0.00367 -0.00710 0.00089 73 4XY -0.01042 -0.00389 -0.00526 0.00117 -0.00028 74 4XZ 0.00729 -0.00488 -0.00346 -0.00108 0.00276 75 4YZ -0.00676 -0.00113 0.00426 0.00406 -0.00401 76 6 C 1S 0.00075 0.01270 0.02935 -0.03311 -0.00923 77 2S -0.00710 -0.02567 -0.04279 0.04902 0.01058 78 2PX -0.00254 0.05734 0.02779 -0.10627 0.09218 79 2PY -0.03246 0.05326 0.09089 -0.11847 -0.12976 80 2PZ 0.02956 0.00668 0.00142 -0.06322 0.06823 81 3S 0.03732 -0.13494 -0.42120 0.60974 0.21371 82 3PX 0.10438 0.09739 0.04146 -0.20858 0.16330 83 3PY -0.12211 0.17197 0.28550 -0.36146 -0.41636 84 3PZ 0.09016 0.14243 0.09919 0.05634 0.06602 85 4XX -0.00615 -0.00254 -0.00028 -0.01178 0.00480 86 4YY 0.00152 0.00836 0.01058 0.00098 -0.00370 87 4ZZ 0.00385 -0.00194 -0.00336 0.00412 -0.00137 88 4XY -0.00612 -0.00277 -0.00005 0.00301 -0.01106 89 4XZ 0.00072 0.00458 0.00074 -0.00075 -0.00220 90 4YZ -0.00886 0.00204 0.00200 -0.00260 -0.00309 91 7 H 1S -0.01647 0.02475 0.05262 -0.01454 0.00737 92 2S -0.24849 0.75338 0.57835 -0.20804 -0.19667 93 8 H 1S -0.01648 0.02476 0.05261 0.01458 -0.00740 94 2S -0.24868 0.75331 0.57846 0.20875 0.19626 95 9 H 1S 0.00520 0.02756 0.03575 -0.00926 0.03399 96 2S -0.10557 0.34510 0.59680 0.69743 0.59379 97 10 H 1S -0.03530 -0.01134 0.00884 0.01977 -0.00602 98 2S -0.07413 -0.38654 -0.13328 0.74406 -0.17929 99 11 H 1S -0.03523 -0.01134 0.00885 -0.01977 0.00597 100 2S -0.07471 -0.38601 -0.13277 -0.74455 0.17868 101 12 H 1S 0.00515 0.02756 0.03575 0.00929 -0.03399 102 2S -0.10600 0.34539 0.59703 -0.69705 -0.59334 103 13 H 1S 0.07113 0.00059 -0.00345 0.00931 -0.01436 104 2S 1.01631 0.05252 0.03069 -0.22175 0.01450 105 14 H 1S 0.07130 0.00057 -0.00345 -0.00932 0.01440 106 2S 1.01735 0.05228 0.03064 0.22155 -0.01384 107 15 C 1S 0.01708 -0.01318 -0.02093 0.03532 0.01292 108 2S -0.05204 -0.00327 0.05867 -0.04736 -0.00552 109 2PX 0.07318 0.07865 -0.02215 0.07295 -0.23365 110 2PY 0.01127 0.06193 0.03950 -0.01372 0.04604 111 2PZ -0.13415 -0.06390 -0.05430 0.17413 -0.03242 112 3S -0.07576 0.37157 0.28553 -0.59071 -0.34589 113 3PX 0.28621 0.09069 0.03608 -0.03175 -0.45503 114 3PY -0.05819 0.19992 0.14695 -0.06461 0.27748 115 3PZ -0.28767 -0.14021 -0.10165 0.54829 0.03809 116 4XX 0.00937 0.00468 -0.00385 0.00530 0.00113 117 4YY -0.01160 -0.00397 0.00450 0.00682 0.00837 118 4ZZ -0.00143 -0.00129 -0.00116 -0.00195 0.00141 119 4XY -0.01160 -0.00848 -0.00101 0.00189 -0.01041 120 4XZ -0.01184 -0.00135 0.00166 -0.00687 0.00628 121 4YZ 0.01586 0.00298 0.00351 0.00923 0.00108 122 16 C 1S 0.01695 -0.01313 -0.02091 -0.03531 -0.01293 123 2S -0.05174 -0.00335 0.05864 0.04736 0.00554 124 2PX 0.07327 0.07872 -0.02212 -0.07289 0.23350 125 2PY -0.01154 -0.06185 -0.03949 -0.01372 0.04605 126 2PZ -0.13396 -0.06385 -0.05424 -0.17420 0.03263 127 3S -0.07469 0.37113 0.28526 0.59073 0.34590 128 3PX 0.28654 0.09068 0.03604 0.03188 0.45461 129 3PY 0.05762 -0.19970 -0.14691 -0.06460 0.27748 130 3PZ -0.28793 -0.13995 -0.10145 -0.54848 -0.03758 131 4XX 0.00934 0.00469 -0.00385 -0.00530 -0.00113 132 4YY -0.01160 -0.00397 0.00450 -0.00683 -0.00836 133 4ZZ -0.00144 -0.00129 -0.00116 0.00195 -0.00141 134 4XY 0.01160 0.00848 0.00101 0.00189 -0.01042 135 4XZ -0.01183 -0.00136 0.00166 0.00686 -0.00627 136 4YZ -0.01586 -0.00298 -0.00351 0.00922 0.00111 137 17 C 1S -0.00315 0.05429 -0.10121 -0.00001 0.00001 138 2S 0.00895 -0.08100 0.16326 0.00002 -0.00002 139 2PX -0.02708 0.21283 -0.19165 -0.00001 0.00000 140 2PY -0.00032 0.00008 -0.00001 0.06774 0.30600 141 2PZ 0.00870 -0.11634 0.03261 -0.00002 0.00010 142 3S 0.06189 -0.97866 1.52575 0.00006 -0.00004 143 3PX -0.06511 0.63859 -0.48900 -0.00003 0.00000 144 3PY -0.00083 0.00023 -0.00001 0.13603 0.81922 145 3PZ 0.00324 -0.33990 0.10250 -0.00005 0.00027 146 4XX 0.00533 0.00214 -0.00665 0.00000 0.00000 147 4YY -0.00963 -0.00043 -0.00381 0.00000 0.00001 148 4ZZ 0.00111 0.01277 -0.01111 0.00000 0.00000 149 4XY 0.00002 -0.00001 0.00000 -0.00362 -0.01786 150 4XZ -0.00215 0.00488 -0.00183 0.00000 0.00000 151 4YZ -0.00001 0.00000 0.00000 -0.00547 0.01540 152 18 O 1S -0.03299 0.00750 0.00926 0.00798 0.05797 153 2S 0.05669 -0.01018 0.00260 -0.00239 -0.07433 154 2PX 0.12573 0.01545 0.02864 0.00986 0.13106 155 2PY -0.04972 0.00430 0.01262 -0.00673 0.06197 156 2PZ -0.06868 -0.01376 0.01911 -0.07480 0.03520 157 3S 0.38882 -0.12551 -0.13512 -0.15713 -0.76468 158 3PX 0.19646 -0.02356 0.07917 -0.00788 0.18130 159 3PY -0.11251 0.04967 0.01409 0.04128 0.18709 160 3PZ -0.12234 0.03480 0.01695 -0.09067 0.05689 161 4XX -0.01114 -0.00456 0.01304 0.00730 0.02297 162 4YY -0.00518 -0.00070 0.00834 0.00478 0.01415 163 4ZZ -0.00701 0.00600 0.00611 -0.00120 0.02701 164 4XY -0.00013 0.00287 0.00520 0.00271 -0.00142 165 4XZ -0.00287 0.00842 -0.00777 0.00385 -0.00706 166 4YZ 0.00217 -0.00110 0.00023 -0.00053 -0.00259 167 19 H 1S -0.03773 -0.02222 -0.01708 0.00599 -0.02939 168 2S -0.34295 -0.46949 -0.37535 0.74609 0.07336 169 20 H 1S -0.03783 -0.02219 -0.01708 -0.00600 0.02945 170 2S -0.34427 -0.46891 -0.37505 -0.74636 -0.07264 171 21 H 1S 0.02151 0.03790 -0.05357 0.00000 -0.00003 172 2S -0.02159 1.01280 -0.97432 0.00005 -0.00031 173 22 O 1S -0.03287 0.00747 0.00927 -0.00799 -0.05793 174 2S 0.05646 -0.01012 0.00260 0.00241 0.07428 175 2PX 0.12579 0.01542 0.02865 -0.00980 -0.13122 176 2PY 0.04952 -0.00424 -0.01262 -0.00671 0.06194 177 2PZ -0.06873 -0.01379 0.01907 0.07477 -0.03511 178 3S 0.38756 -0.12515 -0.13516 0.15727 0.76425 179 3PX 0.19675 -0.02365 0.07916 0.00798 -0.18160 180 3PY 0.11215 -0.04957 -0.01411 0.04132 0.18702 181 3PZ -0.12240 0.03476 0.01691 0.09065 -0.05676 182 4XX -0.01107 -0.00458 0.01304 -0.00730 -0.02296 183 4YY -0.00518 -0.00070 0.00834 -0.00478 -0.01415 184 4ZZ -0.00698 0.00599 0.00611 0.00120 -0.02700 185 4XY 0.00014 -0.00287 -0.00520 0.00271 -0.00141 186 4XZ -0.00289 0.00843 -0.00777 -0.00385 0.00706 187 4YZ -0.00217 0.00109 -0.00023 -0.00053 -0.00258 188 23 H 1S 0.01690 0.04024 -0.03995 0.00000 0.00000 189 2S -0.05507 0.79030 -1.13738 -0.00011 0.00020 51 52 53 54 55 V V V V V Eigenvalues -- 0.15450 0.16965 0.17166 0.17519 0.18002 1 1 C 1S -0.01639 0.04661 -0.02165 0.03049 0.01227 2 2S 0.01241 -0.06366 0.03367 -0.05124 0.02417 3 2PX -0.00396 0.02743 0.01573 -0.00053 0.03375 4 2PY -0.03524 0.05572 -0.03168 0.05938 0.03634 5 2PZ 0.00915 -0.08515 0.00809 -0.01692 -0.08867 6 3S 0.32953 -0.90824 0.32199 -0.52117 -0.33633 7 3PX -0.03695 0.13782 0.00759 -0.02148 0.08916 8 3PY -0.18549 0.00744 -0.13072 0.27144 0.13015 9 3PZ 0.03152 -0.32737 -0.01851 -0.02354 -0.14659 10 4XX 0.00118 0.00186 -0.00199 0.00391 -0.00258 11 4YY 0.00075 -0.00015 0.00344 -0.00457 0.00515 12 4ZZ -0.00531 0.00327 -0.00519 0.00216 0.00789 13 4XY -0.00299 -0.00102 0.00293 -0.00876 0.00001 14 4XZ 0.00501 -0.00126 0.00382 -0.00320 -0.00111 15 4YZ -0.00219 0.00103 0.00155 0.00329 -0.00655 16 2 C 1S -0.01638 -0.04668 -0.02155 0.03045 0.01229 17 2S 0.01239 0.06380 0.03354 -0.05119 0.02413 18 2PX -0.00413 -0.02737 0.01579 -0.00055 0.03376 19 2PY 0.03526 0.05585 0.03157 -0.05936 -0.03637 20 2PZ 0.00909 0.08513 0.00790 -0.01683 -0.08871 21 3S 0.32961 0.90930 0.32003 -0.52034 -0.33658 22 3PX -0.03721 -0.13776 0.00783 -0.02160 0.08922 23 3PY 0.18542 0.00802 0.13073 -0.27144 -0.13033 24 3PZ 0.03130 0.32729 -0.01914 -0.02323 -0.14684 25 4XX 0.00118 -0.00187 -0.00199 0.00391 -0.00258 26 4YY 0.00076 0.00016 0.00344 -0.00457 0.00515 27 4ZZ -0.00532 -0.00329 -0.00518 0.00216 0.00789 28 4XY 0.00298 -0.00104 -0.00293 0.00875 -0.00001 29 4XZ 0.00500 0.00127 0.00381 -0.00320 -0.00111 30 4YZ 0.00219 0.00103 -0.00155 -0.00329 0.00655 31 3 C 1S 0.03876 -0.02855 0.04008 -0.07663 -0.01473 32 2S -0.06679 0.02457 -0.04728 0.08638 0.03575 33 2PX 0.03509 -0.03418 -0.03604 0.11281 0.00567 34 2PY -0.03046 0.14307 -0.00853 0.06740 0.00098 35 2PZ 0.03290 -0.05720 0.03566 -0.03713 -0.02021 36 3S -0.55925 0.60900 -0.70079 1.35381 0.17800 37 3PX 0.14159 -0.00683 -0.14192 0.28896 0.01973 38 3PY -0.20831 0.38618 0.01334 0.23099 0.04157 39 3PZ 0.02809 -0.27380 0.09477 -0.10245 -0.03386 40 4XX 0.00245 -0.00113 0.00289 -0.00416 -0.01037 41 4YY -0.00340 -0.00826 -0.00322 -0.00280 0.00551 42 4ZZ 0.00726 0.00253 0.00817 -0.00838 0.00293 43 4XY 0.00532 0.00537 0.00066 0.00396 0.00650 44 4XZ -0.00004 -0.00374 -0.00168 0.00431 -0.00254 45 4YZ 0.00441 -0.00873 0.00161 -0.00136 -0.00439 46 4 C 1S -0.01074 0.05982 -0.03681 0.05108 -0.02089 47 2S 0.02905 -0.06966 0.04097 -0.04438 0.02061 48 2PX -0.16781 -0.00208 -0.04065 -0.02760 0.05107 49 2PY -0.01194 0.10940 0.04009 -0.07655 0.03206 50 2PZ -0.10788 0.02446 -0.01910 -0.08716 -0.11748 51 3S 0.06458 -0.95695 0.64299 -0.93607 0.43692 52 3PX -0.38135 0.03127 -0.19213 0.05700 0.02913 53 3PY 0.08443 0.26373 0.22563 -0.37276 0.11600 54 3PZ -0.28501 0.12400 0.02764 -0.31535 -0.33885 55 4XX -0.00288 -0.00091 -0.00004 0.00075 0.00761 56 4YY 0.00659 0.01882 0.00258 -0.00024 -0.00021 57 4ZZ -0.00428 -0.00750 -0.00905 0.01054 -0.01175 58 4XY 0.00818 -0.00198 0.00510 -0.00843 -0.00144 59 4XZ 0.00306 0.00186 0.00617 -0.00951 -0.00331 60 4YZ 0.00235 0.00190 -0.00156 0.01453 0.00899 61 5 C 1S -0.01075 -0.05995 -0.03666 0.05103 -0.02088 62 2S 0.02909 0.06980 0.04080 -0.04432 0.02061 63 2PX -0.16779 0.00194 -0.04066 -0.02760 0.05110 64 2PY 0.01194 0.10925 -0.04033 0.07657 -0.03211 65 2PZ -0.10794 -0.02456 -0.01905 -0.08721 -0.11746 66 3S 0.06470 0.95921 0.64076 -0.93514 0.43666 67 3PX -0.38118 -0.03191 -0.19213 0.05697 0.02927 68 3PY -0.08438 0.26284 -0.22614 0.37278 -0.11618 69 3PZ -0.28522 -0.12409 0.02790 -0.31558 -0.33893 70 4XX -0.00287 0.00092 -0.00004 0.00075 0.00760 71 4YY 0.00658 -0.01881 0.00262 -0.00026 -0.00021 72 4ZZ -0.00428 0.00746 -0.00906 0.01054 -0.01175 73 4XY -0.00818 -0.00200 -0.00510 0.00843 0.00144 74 4XZ 0.00306 -0.00184 0.00618 -0.00951 -0.00331 75 4YZ -0.00235 0.00192 0.00155 -0.01453 -0.00899 76 6 C 1S 0.03876 0.02870 0.04001 -0.07661 -0.01472 77 2S -0.06680 -0.02476 -0.04721 0.08636 0.03571 78 2PX 0.03494 0.03406 -0.03613 0.11284 0.00565 79 2PY 0.03052 0.14316 0.00822 -0.06734 -0.00100 80 2PZ 0.03279 0.05730 0.03553 -0.03704 -0.02023 81 3S -0.55909 -0.61172 -0.69940 1.35330 0.17816 82 3PX 0.14135 0.00641 -0.14196 0.28894 0.01979 83 3PY 0.20856 0.38647 -0.01424 -0.23081 -0.04147 84 3PZ 0.02792 0.27403 0.09411 -0.10204 -0.03398 85 4XX 0.00244 0.00113 0.00289 -0.00416 -0.01037 86 4YY -0.00340 0.00825 -0.00324 -0.00280 0.00551 87 4ZZ 0.00726 -0.00249 0.00817 -0.00838 0.00292 88 4XY -0.00531 0.00537 -0.00068 -0.00396 -0.00650 89 4XZ -0.00003 0.00373 -0.00169 0.00431 -0.00254 90 4YZ -0.00441 -0.00873 -0.00159 0.00135 0.00440 91 7 H 1S -0.01829 0.02212 -0.02950 0.00964 0.03450 92 2S -0.27522 0.76850 -0.23485 0.43005 0.44729 93 8 H 1S -0.01827 -0.02218 -0.02945 0.00963 0.03451 94 2S -0.27519 -0.76922 -0.23332 0.42943 0.44774 95 9 H 1S -0.00682 -0.05584 -0.00736 -0.03200 0.01184 96 2S 0.46487 -0.83210 0.25633 -0.79475 -0.11442 97 10 H 1S -0.02560 -0.01227 -0.01912 -0.01213 -0.06972 98 2S -0.58092 0.31242 -0.39263 0.08127 -0.69660 99 11 H 1S -0.02562 0.01220 -0.01914 -0.01215 -0.06974 100 2S -0.58100 -0.31389 -0.39188 0.08084 -0.69668 101 12 H 1S -0.00680 0.05586 -0.00749 -0.03196 0.01183 102 2S 0.46508 0.83344 0.25441 -0.79419 -0.11439 103 13 H 1S 0.02815 -0.00538 0.02547 -0.01992 0.02742 104 2S 0.59856 -0.20469 -0.04632 0.47488 -0.12253 105 14 H 1S 0.02811 0.00547 0.02545 -0.01993 0.02741 106 2S 0.59847 0.20449 -0.04695 0.47503 -0.12265 107 15 C 1S -0.02120 0.02743 0.02066 -0.01732 0.04296 108 2S 0.02514 -0.04261 -0.03555 0.03956 -0.05429 109 2PX -0.12064 -0.09863 0.00918 -0.09310 0.01690 110 2PY 0.00864 0.00992 -0.05539 0.04551 -0.10252 111 2PZ 0.16115 0.05959 0.03297 0.09170 0.04320 112 3S 0.21107 -0.33565 -0.28731 0.16545 -0.81904 113 3PX -0.35906 -0.27922 0.01195 -0.20679 0.05445 114 3PY 0.10526 -0.11328 -0.09418 0.06268 -0.41608 115 3PZ 0.38975 0.26569 0.08918 0.18703 0.11540 116 4XX -0.00626 0.00132 0.00262 -0.00338 0.00194 117 4YY 0.00762 0.01122 0.00105 0.00394 -0.00581 118 4ZZ -0.00235 0.00077 0.00287 0.00046 0.00628 119 4XY 0.00772 -0.00446 0.00421 0.01254 -0.00308 120 4XZ 0.01024 0.00106 -0.00208 0.00986 -0.01423 121 4YZ -0.02215 0.00518 0.00049 -0.01221 -0.00691 122 16 C 1S -0.02119 -0.02736 0.02073 -0.01735 0.04301 123 2S 0.02513 0.04249 -0.03567 0.03961 -0.05437 124 2PX -0.12097 0.09870 0.00895 -0.09304 0.01688 125 2PY -0.00868 0.01012 0.05538 -0.04551 0.10254 126 2PZ 0.16109 -0.05952 0.03313 0.09165 0.04335 127 3S 0.21075 0.33460 -0.28819 0.16578 -0.81981 128 3PX -0.35968 0.27934 0.01125 -0.20657 0.05420 129 3PY -0.10552 -0.11286 0.09447 -0.06278 0.41612 130 3PZ 0.38970 -0.26550 0.08990 0.18679 0.11600 131 4XX -0.00626 -0.00131 0.00263 -0.00338 0.00195 132 4YY 0.00762 -0.01122 0.00108 0.00393 -0.00580 133 4ZZ -0.00234 -0.00077 0.00287 0.00046 0.00628 134 4XY -0.00771 -0.00446 -0.00420 -0.01254 0.00308 135 4XZ 0.01025 -0.00108 -0.00208 0.00986 -0.01423 136 4YZ 0.02215 0.00517 -0.00051 0.01222 0.00690 137 17 C 1S 0.00447 0.00000 -0.00742 -0.00627 0.07048 138 2S -0.01555 -0.00001 0.00241 -0.00619 -0.10516 139 2PX 0.07332 -0.00014 -0.12440 -0.12103 -0.19816 140 2PY -0.00020 0.17779 -0.00019 0.00006 -0.00006 141 2PZ 0.13013 -0.00034 -0.41336 -0.16525 0.12587 142 3S -0.06037 0.00003 0.09715 0.12757 -0.79504 143 3PX 0.17882 -0.00035 -0.28654 -0.24440 -0.66024 144 3PY -0.00057 0.51159 -0.00054 0.00016 -0.00017 145 3PZ 0.35626 -0.00089 -1.09150 -0.39727 0.46936 146 4XX -0.00247 0.00000 -0.00340 -0.00690 0.01578 147 4YY 0.00943 0.00000 -0.00477 0.00670 0.00933 148 4ZZ -0.00309 0.00001 0.00819 -0.00366 -0.01765 149 4XY 0.00001 -0.01323 0.00002 0.00000 0.00000 150 4XZ 0.00537 -0.00001 -0.00770 -0.00050 -0.01197 151 4YZ -0.00001 0.00807 -0.00001 0.00000 0.00000 152 18 O 1S 0.04126 0.02953 0.00049 0.02127 -0.06016 153 2S -0.06293 -0.02365 -0.00530 -0.03267 0.07902 154 2PX -0.14677 0.09040 0.05064 -0.07110 -0.00163 155 2PY 0.05484 0.04946 0.02083 0.03335 -0.15642 156 2PZ 0.06707 -0.00665 0.04666 0.10610 -0.04962 157 3S -0.52573 -0.45427 -0.01286 -0.27127 0.82283 158 3PX -0.28368 0.11367 0.10721 -0.12235 0.00571 159 3PY 0.13701 0.13196 0.05263 0.05421 -0.33454 160 3PZ 0.11165 -0.02677 0.11826 0.18254 -0.11766 161 4XX 0.01227 0.01948 -0.00117 0.01187 -0.02084 162 4YY 0.00953 0.01027 0.00074 0.00215 -0.01448 163 4ZZ 0.01408 0.01683 -0.00637 0.00637 -0.02863 164 4XY -0.00208 -0.00138 0.00255 -0.00072 -0.01102 165 4XZ 0.00269 -0.00320 0.00602 -0.00125 -0.00633 166 4YZ -0.00644 -0.00311 0.00907 0.00285 0.00412 167 19 H 1S 0.04303 0.00064 0.02144 0.03364 0.07034 168 2S 0.40011 0.48752 0.35795 0.12572 0.82394 169 20 H 1S 0.04300 -0.00058 0.02145 0.03363 0.07035 170 2S 0.40015 -0.48641 0.35923 0.12529 0.82484 171 21 H 1S -0.04089 0.00006 0.06371 -0.01912 -0.02196 172 2S -0.43789 0.00114 1.33796 0.40648 -0.24613 173 22 O 1S 0.04133 -0.02956 0.00056 0.02125 -0.06014 174 2S -0.06302 0.02368 -0.00534 -0.03266 0.07902 175 2PX -0.14658 -0.09026 0.05085 -0.07116 -0.00156 176 2PY -0.05493 0.04948 -0.02095 -0.03333 0.15641 177 2PZ 0.06711 0.00667 0.04663 0.10611 -0.04965 178 3S -0.52671 0.45462 -0.01393 -0.27100 0.82246 179 3PX -0.28343 -0.11338 0.10746 -0.12242 0.00577 180 3PY -0.13727 0.13198 -0.05294 -0.05415 0.33447 181 3PZ 0.11170 0.02688 0.11818 0.18255 -0.11768 182 4XX 0.01230 -0.01949 -0.00113 0.01186 -0.02083 183 4YY 0.00955 -0.01027 0.00077 0.00214 -0.01447 184 4ZZ 0.01412 -0.01685 -0.00633 0.00636 -0.02862 185 4XY 0.00208 -0.00138 -0.00255 0.00072 0.01102 186 4XZ 0.00268 0.00321 0.00602 -0.00125 -0.00633 187 4YZ 0.00644 -0.00313 -0.00906 -0.00285 -0.00411 188 23 H 1S -0.00239 -0.00004 -0.04750 -0.03539 0.00265 189 2S 0.48060 -0.00114 -1.27661 -0.69115 0.15219 56 57 58 59 60 V V V V V Eigenvalues -- 0.19724 0.20300 0.21250 0.24290 0.24319 1 1 C 1S -0.01356 0.08144 0.00856 -0.01367 0.00861 2 2S 0.01506 -0.15594 -0.01272 0.02856 -0.00943 3 2PX -0.01892 0.06567 0.04564 -0.03831 -0.11777 4 2PY 0.02538 0.03852 0.02354 -0.10014 -0.06352 5 2PZ -0.03709 -0.07642 -0.03243 0.08875 0.09245 6 3S 0.07300 -0.80290 -0.24644 0.49745 -0.28582 7 3PX -0.09662 0.45276 0.04791 -0.26739 -0.34011 8 3PY 0.04518 0.40552 0.14592 -0.40084 -0.32227 9 3PZ -0.02047 -0.68207 -0.06233 0.40224 0.48641 10 4XX -0.00275 -0.00136 0.00256 -0.00214 0.00235 11 4YY -0.00809 0.01527 -0.00033 -0.00943 0.00660 12 4ZZ 0.00073 0.00357 -0.00316 0.01525 -0.00873 13 4XY 0.00094 -0.00451 -0.00132 -0.00576 0.00486 14 4XZ 0.00206 0.00025 0.00112 -0.00851 -0.00107 15 4YZ -0.00087 0.00605 0.00086 -0.00939 -0.00368 16 2 C 1S 0.01356 -0.08144 0.00853 -0.01338 -0.00903 17 2S -0.01507 0.15594 -0.01267 0.02823 0.01027 18 2PX 0.01891 -0.06569 0.04563 -0.04170 0.11654 19 2PY 0.02536 0.03854 -0.02355 0.10210 -0.06053 20 2PZ 0.03704 0.07640 -0.03237 0.09125 -0.08983 21 3S -0.07308 0.80294 -0.24596 0.48807 0.30083 22 3PX 0.09673 -0.45270 0.04773 -0.27688 0.33204 23 3PY 0.04511 0.40569 -0.14586 0.41071 -0.31022 24 3PZ 0.02034 0.68199 -0.06202 0.41554 -0.47450 25 4XX 0.00275 0.00136 0.00256 -0.00207 -0.00241 26 4YY 0.00809 -0.01527 -0.00033 -0.00921 -0.00688 27 4ZZ -0.00074 -0.00357 -0.00316 0.01497 0.00917 28 4XY 0.00094 -0.00451 0.00132 0.00562 0.00503 29 4XZ -0.00206 -0.00025 0.00111 -0.00852 0.00081 30 4YZ -0.00087 0.00605 -0.00086 0.00949 -0.00340 31 3 C 1S -0.00057 0.05802 -0.01864 -0.03460 -0.01175 32 2S 0.01446 -0.11048 0.02464 0.04128 0.03816 33 2PX 0.00344 0.02137 0.01890 0.15809 -0.02702 34 2PY 0.07825 -0.07860 0.04650 -0.20903 -0.05769 35 2PZ 0.04756 -0.00389 -0.00190 -0.12829 -0.03803 36 3S -0.01046 -0.53223 0.30065 0.60562 -0.07627 37 3PX -0.26922 0.18462 -0.08911 0.65804 -0.02573 38 3PY 0.34003 -0.71472 0.20151 -1.01926 -0.15506 39 3PZ 0.01899 -0.06259 0.07252 -0.58876 -0.44664 40 4XX 0.00408 0.00397 -0.00437 -0.00474 0.00313 41 4YY -0.00064 -0.00246 -0.00223 -0.00067 -0.00229 42 4ZZ -0.00293 0.01010 0.00200 0.00090 -0.00222 43 4XY -0.00897 0.00172 0.00236 0.00641 0.00674 44 4XZ 0.00161 -0.00982 0.00093 -0.00057 -0.00080 45 4YZ 0.00411 -0.00893 -0.00326 -0.00324 -0.02068 46 4 C 1S -0.09118 -0.02790 -0.00939 0.04368 0.05541 47 2S 0.06291 0.07103 0.00255 -0.02734 -0.06338 48 2PX 0.17535 0.00049 0.02554 0.09667 0.20290 49 2PY -0.03142 0.07778 0.01900 -0.04109 0.25365 50 2PZ 0.05795 -0.00880 -0.05157 -0.06888 0.02261 51 3S 1.81728 0.05386 0.24805 -0.97182 -0.91903 52 3PX 0.49531 0.16646 -0.04058 0.63125 0.82018 53 3PY -0.46485 0.46365 0.02933 -0.24978 1.08400 54 3PZ 0.37417 -0.19114 -0.10863 -0.64590 0.05316 55 4XX -0.00349 -0.00390 0.00460 0.01003 -0.00586 56 4YY -0.01318 -0.00020 -0.00162 -0.00202 0.02271 57 4ZZ -0.00485 -0.00575 -0.00571 0.00026 -0.00880 58 4XY 0.00358 0.00078 -0.00328 -0.00849 0.00635 59 4XZ 0.00232 0.00509 0.00017 -0.02489 -0.00687 60 4YZ 0.00325 -0.00259 0.00857 0.01166 -0.00203 61 5 C 1S 0.09118 0.02791 -0.00937 0.04533 -0.05409 62 2S -0.06292 -0.07104 0.00253 -0.02922 0.06253 63 2PX -0.17534 -0.00049 0.02544 0.10284 -0.19997 64 2PY -0.03144 0.07779 -0.01902 0.03391 0.25474 65 2PZ -0.05801 0.00879 -0.05166 -0.06784 -0.02476 66 3S -1.81712 -0.05399 0.24785 -0.99938 0.88962 67 3PX -0.49530 -0.16651 -0.04101 0.65654 -0.80120 68 3PY -0.46507 0.46374 -0.02940 0.21863 1.09094 69 3PZ -0.37409 0.19097 -0.10901 -0.64281 -0.07266 70 4XX 0.00349 0.00390 0.00460 0.00988 0.00614 71 4YY 0.01318 0.00020 -0.00162 -0.00138 -0.02276 72 4ZZ 0.00485 0.00575 -0.00570 0.00002 0.00881 73 4XY 0.00358 0.00078 0.00328 0.00829 0.00661 74 4XZ -0.00232 -0.00509 0.00017 -0.02509 0.00614 75 4YZ 0.00325 -0.00258 -0.00857 -0.01161 -0.00237 76 6 C 1S 0.00058 -0.05802 -0.01866 -0.03497 0.01074 77 2S -0.01446 0.11049 0.02464 0.04243 -0.03694 78 2PX -0.00346 -0.02138 0.01890 0.15726 0.03170 79 2PY 0.07823 -0.07860 -0.04653 0.21067 -0.05148 80 2PZ -0.04759 0.00390 -0.00187 -0.12949 0.03417 81 3S 0.01028 0.53220 0.30078 0.60431 0.09373 82 3PX 0.26914 -0.18461 -0.08908 0.65715 0.04529 83 3PY 0.33990 -0.71470 -0.20168 1.02352 -0.12489 84 3PZ -0.01897 0.06263 0.07267 -0.60198 0.42882 85 4XX -0.00408 -0.00397 -0.00438 -0.00465 -0.00326 86 4YY 0.00064 0.00246 -0.00223 -0.00072 0.00226 87 4ZZ 0.00293 -0.01010 0.00200 0.00080 0.00226 88 4XY -0.00897 0.00172 -0.00236 -0.00658 0.00655 89 4XZ -0.00161 0.00982 0.00093 -0.00058 0.00078 90 4YZ 0.00412 -0.00893 0.00325 0.00384 -0.02057 91 7 H 1S 0.00211 0.04003 -0.00953 0.03928 -0.01378 92 2S 0.02024 1.34342 0.25811 -0.76297 -0.68505 93 8 H 1S -0.00210 -0.04001 -0.00954 0.03882 0.01495 94 2S -0.02002 -1.34340 0.25757 -0.78207 0.66220 95 9 H 1S 0.00845 0.03282 -0.01907 0.00898 -0.02676 96 2S -0.36710 1.00406 -0.35740 0.93233 0.07907 97 10 H 1S 0.00073 -0.02879 -0.03636 -0.07026 -0.02699 98 2S -0.04334 -0.42275 -0.30455 -0.11956 0.14880 99 11 H 1S -0.00073 0.02880 -0.03637 -0.07093 0.02490 100 2S 0.04324 0.42288 -0.30499 -0.11273 -0.15198 101 12 H 1S -0.00845 -0.03281 -0.01910 0.00830 0.02701 102 2S 0.36703 -1.00405 -0.35767 0.93433 -0.05140 103 13 H 1S 0.00809 0.01986 0.01888 -0.04228 0.04859 104 2S 1.16700 0.37603 -0.02296 -0.15119 0.96166 105 14 H 1S -0.00808 -0.01987 0.01886 -0.04084 -0.04983 106 2S -1.16691 -0.37605 -0.02365 -0.12205 -0.96567 107 15 C 1S 0.05191 -0.00387 0.04856 0.01506 -0.01184 108 2S -0.07144 0.03033 -0.09896 -0.03196 0.03496 109 2PX 0.05297 0.04200 0.06702 0.04201 -0.02892 110 2PY -0.01396 0.02037 -0.14945 -0.03636 0.03051 111 2PZ 0.14409 0.00059 0.03275 -0.03300 -0.03758 112 3S -0.84159 -0.21144 -0.67249 -0.15834 0.05263 113 3PX -0.08809 0.06383 0.07673 -0.00350 -0.09250 114 3PY -0.06115 0.31901 -0.25518 -0.04485 0.19792 115 3PZ 0.42817 -0.03407 0.02923 -0.02610 -0.11250 116 4XX 0.00322 -0.00275 0.00242 0.00305 -0.00189 117 4YY 0.01198 -0.00214 0.00277 -0.00135 0.00170 118 4ZZ 0.00083 0.00234 0.00044 0.00116 0.00064 119 4XY 0.00185 0.00137 -0.01313 -0.00720 0.00062 120 4XZ -0.00345 0.00008 -0.00096 -0.00156 0.00569 121 4YZ 0.00719 -0.00171 0.00854 0.00375 -0.00253 122 16 C 1S -0.05190 0.00386 0.04858 0.01462 0.01226 123 2S 0.07143 -0.03029 -0.09900 -0.03078 -0.03584 124 2PX -0.05298 -0.04200 0.06704 0.04103 0.03016 125 2PY -0.01394 0.02034 0.14948 0.03545 0.03153 126 2PZ -0.14411 -0.00064 0.03282 -0.03432 0.03653 127 3S 0.84146 0.21158 -0.67271 -0.15535 -0.05690 128 3PX 0.08813 -0.06377 0.07672 -0.00602 0.09245 129 3PY -0.06105 0.31896 0.25535 0.03921 0.19900 130 3PZ -0.42818 0.03402 0.02949 -0.03028 0.11159 131 4XX -0.00322 0.00274 0.00243 0.00299 0.00197 132 4YY -0.01198 0.00214 0.00277 -0.00132 -0.00174 133 4ZZ -0.00083 -0.00234 0.00044 0.00118 -0.00061 134 4XY 0.00185 0.00137 0.01313 0.00718 0.00083 135 4XZ 0.00345 -0.00008 -0.00096 -0.00138 -0.00573 136 4YZ 0.00719 -0.00171 -0.00855 -0.00367 -0.00264 137 17 C 1S 0.00002 0.00002 -0.11819 -0.00798 -0.00011 138 2S -0.00002 -0.00003 0.18984 0.02419 0.00035 139 2PX -0.00004 -0.00006 0.23612 0.03420 0.00050 140 2PY 0.02596 -0.03022 -0.00002 0.00089 -0.05932 141 2PZ 0.00001 0.00003 0.00868 -0.04435 -0.00067 142 3S -0.00021 -0.00028 1.61133 0.09472 0.00130 143 3PX -0.00014 -0.00020 0.92909 0.05199 0.00074 144 3PY -0.01399 -0.21541 -0.00005 0.00295 -0.20289 145 3PZ 0.00006 0.00012 -0.10569 -0.11789 -0.00177 146 4XX 0.00000 0.00000 -0.00112 0.00294 0.00004 147 4YY 0.00000 0.00001 -0.02812 -0.00801 -0.00012 148 4ZZ 0.00000 -0.00001 0.02829 0.00729 0.00011 149 4XY 0.00036 0.00226 0.00000 -0.00008 0.00526 150 4XZ 0.00000 0.00000 0.01329 0.00177 0.00003 151 4YZ -0.00531 -0.00120 0.00000 -0.00001 0.00036 152 18 O 1S -0.00302 -0.00579 0.03321 -0.00513 -0.00188 153 2S 0.00956 0.00170 -0.03136 0.02459 -0.00447 154 2PX 0.00777 -0.03864 0.16266 0.06751 -0.05118 155 2PY -0.02383 -0.01755 0.21559 0.02142 -0.01275 156 2PZ -0.04720 0.01215 -0.13275 -0.01111 0.03847 157 3S 0.00460 0.11756 -0.53466 -0.00045 0.04991 158 3PX -0.00151 -0.06968 0.31829 0.08687 -0.08037 159 3PY -0.00405 -0.06803 0.47982 0.03464 -0.04574 160 3PZ -0.07385 0.01848 -0.23584 -0.02667 0.07521 161 4XX 0.00325 -0.00254 0.00765 -0.00197 -0.00455 162 4YY 0.00282 0.00024 0.01361 0.00679 -0.00171 163 4ZZ -0.00685 -0.00603 0.01906 0.00286 -0.00107 164 4XY 0.00372 0.00213 0.00367 0.00087 0.00092 165 4XZ 0.00372 0.00092 0.01160 0.00228 -0.00072 166 4YZ -0.00211 -0.00105 -0.00747 -0.00185 -0.00039 167 19 H 1S 0.02919 -0.00182 -0.02289 -0.00234 -0.01257 168 2S 0.86414 -0.15965 0.60031 0.08971 -0.27030 169 20 H 1S -0.02917 0.00183 -0.02287 -0.00278 0.01249 170 2S -0.86403 0.15944 0.60074 0.08035 0.27233 171 21 H 1S -0.00001 -0.00002 0.04824 0.02839 0.00042 172 2S 0.00001 -0.00005 -0.49709 0.11715 0.00180 173 22 O 1S 0.00299 0.00576 0.03321 -0.00518 0.00172 174 2S -0.00953 -0.00166 -0.03134 0.02441 0.00520 175 2PX -0.00778 0.03860 0.16269 0.06596 0.05314 176 2PY -0.02376 -0.01745 -0.21559 -0.02109 -0.01336 177 2PZ 0.04720 -0.01213 -0.13280 -0.00989 -0.03877 178 3S -0.00429 -0.11720 -0.53469 0.00117 -0.04984 179 3PX 0.00149 0.06960 0.31831 0.08457 0.08287 180 3PY -0.00390 -0.06779 -0.47983 -0.03331 -0.04668 181 3PZ 0.07385 -0.01847 -0.23593 -0.02438 -0.07594 182 4XX -0.00326 0.00254 0.00765 -0.00211 0.00449 183 4YY -0.00283 -0.00025 0.01361 0.00672 0.00191 184 4ZZ 0.00684 0.00602 0.01906 0.00283 0.00116 185 4XY 0.00372 0.00213 -0.00367 -0.00089 0.00089 186 4XZ -0.00372 -0.00093 0.01160 0.00225 0.00079 187 4YZ -0.00212 -0.00105 0.00747 0.00186 -0.00033 188 23 H 1S 0.00000 0.00000 0.04473 0.00890 0.00013 189 2S 0.00002 0.00004 0.01690 -0.08212 -0.00120 61 62 63 64 65 V V V V V Eigenvalues -- 0.24789 0.30577 0.31743 0.32868 0.37584 1 1 C 1S 0.01994 -0.04520 -0.06141 -0.01585 0.01480 2 2S -0.01985 0.05052 0.04011 0.03193 -0.00786 3 2PX 0.03735 -0.06466 0.03424 0.03045 0.01098 4 2PY -0.06459 0.19069 -0.04315 0.01171 0.02410 5 2PZ -0.10267 -0.02048 -0.14397 -0.04155 0.04375 6 3S -0.47151 1.31497 2.01104 0.39263 -0.65554 7 3PX 0.21280 -0.24037 0.29170 0.08924 -0.06453 8 3PY -0.25145 1.30142 -0.74379 0.15849 -0.23438 9 3PZ -0.44755 0.07413 -1.18442 -0.20562 0.43579 10 4XX -0.00195 0.00435 0.00310 -0.00270 0.00744 11 4YY 0.01176 -0.02229 0.00823 -0.00180 -0.00673 12 4ZZ -0.00580 0.01555 -0.02129 0.00651 -0.00175 13 4XY -0.00185 -0.00179 0.01163 -0.00156 -0.00107 14 4XZ 0.00624 -0.01613 -0.00159 0.00121 0.01036 15 4YZ 0.00580 -0.00176 -0.03135 -0.00043 -0.00212 16 2 C 1S -0.01997 0.04514 -0.06145 0.01578 -0.01481 17 2S 0.01989 -0.05048 0.04018 -0.03188 0.00787 18 2PX -0.03744 0.06472 0.03417 -0.03039 -0.01097 19 2PY -0.06438 0.19072 0.04292 0.01175 0.02407 20 2PZ 0.10287 0.02032 -0.14399 0.04142 -0.04375 21 3S 0.47247 -1.31328 2.01210 -0.39045 0.65590 22 3PX -0.21330 0.24076 0.29147 -0.08890 0.06451 23 3PY -0.25056 1.30201 0.74229 0.15937 -0.23427 24 3PZ 0.44839 -0.07531 -1.18422 0.20431 -0.43598 25 4XX 0.00195 -0.00435 0.00309 0.00270 -0.00744 26 4YY -0.01178 0.02230 0.00821 0.00181 0.00673 27 4ZZ 0.00583 -0.01557 -0.02128 -0.00654 0.00175 28 4XY -0.00184 -0.00179 -0.01163 -0.00158 -0.00108 29 4XZ -0.00625 0.01613 -0.00159 -0.00120 -0.01036 30 4YZ 0.00582 -0.00175 0.03135 -0.00039 -0.00211 31 3 C 1S -0.02262 0.05273 0.05186 -0.01299 0.00627 32 2S 0.02690 -0.06035 -0.04466 -0.01097 0.06160 33 2PX 0.01672 -0.16495 0.06292 0.05351 0.00465 34 2PY -0.02376 0.03932 0.12533 0.02932 -0.00237 35 2PZ -0.05219 0.02387 -0.22906 0.00998 0.01481 36 3S 0.62032 -1.30345 -1.51891 0.39060 -0.48325 37 3PX -0.00370 -0.63302 0.41294 0.01010 0.00163 38 3PY -0.09948 0.09474 0.87531 -0.10774 0.31429 39 3PZ -0.12212 0.28288 -1.42314 0.09530 -0.19185 40 4XX 0.00045 0.00790 -0.00036 0.01061 -0.00651 41 4YY 0.01374 -0.01971 -0.00194 -0.00875 0.00471 42 4ZZ -0.01530 0.01836 0.00955 -0.00543 0.00785 43 4XY -0.01026 -0.00892 0.00474 -0.01042 -0.01101 44 4XZ 0.00452 -0.01094 0.00360 0.00040 -0.00052 45 4YZ 0.00071 0.01670 -0.01763 0.00293 -0.00668 46 4 C 1S 0.01099 -0.01792 0.01192 0.00337 0.00384 47 2S -0.00013 0.02395 -0.00977 0.00577 -0.01644 48 2PX 0.12736 -0.09747 0.00806 -0.07063 0.00516 49 2PY -0.19866 0.14031 -0.07230 -0.04719 -0.02480 50 2PZ 0.18131 0.24948 -0.03191 0.02271 0.02770 51 3S -0.25400 0.26984 -0.49715 -0.19253 0.07184 52 3PX 0.65438 -0.41277 0.11307 -0.05722 0.02045 53 3PY -0.70966 0.52218 -0.29499 -0.22131 -0.12658 54 3PZ 0.61534 1.00777 0.12875 0.02521 0.17225 55 4XX 0.00762 0.00338 -0.00197 -0.01236 0.00457 56 4YY -0.01256 0.00851 0.01260 -0.00219 -0.00102 57 4ZZ 0.01054 -0.01303 -0.01021 0.01118 0.00075 58 4XY 0.00378 -0.00260 -0.02351 -0.00268 -0.00149 59 4XZ -0.00333 0.01072 0.00382 -0.00301 -0.00017 60 4YZ 0.00447 0.00441 0.00493 0.00143 -0.00077 61 5 C 1S -0.01091 0.01793 0.01191 -0.00336 -0.00383 62 2S 0.00007 -0.02396 -0.00977 -0.00581 0.01643 63 2PX -0.12710 0.09750 0.00798 0.07069 -0.00516 64 2PY -0.19870 0.14030 0.07215 -0.04718 -0.02482 65 2PZ -0.18137 -0.24952 -0.03169 -0.02268 -0.02768 66 3S 0.25223 -0.27047 -0.49712 0.19205 -0.07198 67 3PX -0.65300 0.41302 0.11286 0.05739 -0.02037 68 3PY -0.70953 0.52221 0.29458 -0.22098 -0.12655 69 3PZ -0.61624 -1.00778 0.12977 -0.02498 -0.17221 70 4XX -0.00761 -0.00337 -0.00198 0.01236 -0.00458 71 4YY 0.01256 -0.00850 0.01261 0.00219 0.00102 72 4ZZ -0.01054 0.01301 -0.01021 -0.01119 -0.00075 73 4XY 0.00379 -0.00257 0.02351 -0.00266 -0.00149 74 4XZ 0.00328 -0.01072 0.00383 0.00302 0.00017 75 4YZ 0.00444 0.00441 -0.00493 0.00141 -0.00077 76 6 C 1S 0.02258 -0.05268 0.05190 0.01305 -0.00626 77 2S -0.02686 0.06031 -0.04469 0.01092 -0.06161 78 2PX -0.01648 0.16505 0.06285 -0.05344 -0.00463 79 2PY -0.02328 0.03921 -0.12544 0.02920 -0.00237 80 2PZ 0.05193 -0.02405 -0.22902 -0.01028 -0.01489 81 3S -0.61967 1.30214 -1.52014 -0.39227 0.48294 82 3PX 0.00476 0.63352 0.41240 -0.00971 -0.00150 83 3PY -0.09733 0.09399 -0.87574 -0.10868 0.31423 84 3PZ 0.12113 -0.28400 -1.42301 -0.09680 0.19162 85 4XX -0.00045 -0.00791 -0.00034 -0.01061 0.00651 86 4YY -0.01374 0.01972 -0.00196 0.00875 -0.00471 87 4ZZ 0.01529 -0.01835 0.00957 0.00544 -0.00785 88 4XY -0.01027 -0.00893 -0.00472 -0.01043 -0.01101 89 4XZ -0.00452 0.01095 0.00359 -0.00040 0.00052 90 4YZ 0.00072 0.01670 0.01762 0.00295 -0.00668 91 7 H 1S -0.02291 0.06794 0.08766 -0.00280 -0.02645 92 2S 0.45864 0.17260 0.19508 0.12667 -0.18595 93 8 H 1S 0.02298 -0.06787 0.08772 0.00290 0.02646 94 2S -0.46016 -0.17245 0.19514 -0.12649 0.18595 95 9 H 1S 0.06994 -0.07949 -0.02793 -0.03991 0.00380 96 2S 0.00875 0.10507 -0.41945 -0.12486 -0.15010 97 10 H 1S 0.06259 -0.00501 -0.03234 0.04674 0.00192 98 2S 1.30615 0.62472 0.18476 0.23541 0.19377 99 11 H 1S -0.06268 0.00502 -0.03235 -0.04680 -0.00193 100 2S -1.30610 -0.62449 0.18560 -0.23512 -0.19369 101 12 H 1S -0.06992 0.07946 -0.02807 0.03988 -0.00380 102 2S -0.00656 -0.10528 -0.41957 0.12446 0.15014 103 13 H 1S 0.00575 -0.01388 -0.04456 0.02866 -0.01234 104 2S 0.47109 0.15903 0.07140 -0.25756 0.02324 105 14 H 1S -0.00583 0.01380 -0.04456 -0.02870 0.01232 106 2S -0.47141 -0.15885 0.07163 0.25753 -0.02322 107 15 C 1S -0.04398 -0.01575 -0.00554 0.01646 0.10928 108 2S 0.08046 0.02067 0.02750 0.02446 -0.10566 109 2PX -0.05159 -0.03570 -0.00330 -0.14075 0.11460 110 2PY -0.00200 -0.01253 -0.01347 0.23687 0.16475 111 2PZ -0.11193 -0.08274 -0.03871 0.09501 -0.24870 112 3S 0.76745 0.31149 0.13489 -1.23605 -2.60515 113 3PX 0.10684 0.13953 0.05329 -0.67959 1.08515 114 3PY -0.16410 -0.05978 0.08569 1.77585 1.84295 115 3PZ -0.44632 -0.23759 -0.00801 0.36173 -1.04319 116 4XX -0.00363 -0.00040 0.00157 -0.00173 -0.01134 117 4YY -0.00764 -0.00533 0.00592 0.02372 0.02631 118 4ZZ 0.00130 -0.00168 -0.00283 -0.00711 -0.00871 119 4XY -0.00036 0.00089 0.00608 -0.00492 -0.00248 120 4XZ 0.00695 0.00197 -0.00532 0.01626 -0.01081 121 4YZ -0.00414 -0.00114 0.00177 -0.00045 -0.00496 122 16 C 1S 0.04397 0.01573 -0.00553 -0.01647 -0.10929 123 2S -0.08046 -0.02062 0.02754 -0.02444 0.10565 124 2PX 0.05158 0.03565 -0.00347 0.14071 -0.11462 125 2PY -0.00208 -0.01258 0.01321 0.23686 0.16470 126 2PZ 0.11189 0.08273 -0.03872 -0.09502 0.24871 127 3S -0.76706 -0.31113 0.13355 1.23628 2.60525 128 3PX -0.10690 -0.13949 0.05278 0.67964 -1.08515 129 3PY -0.16429 -0.05996 -0.08776 1.77576 1.84288 130 3PZ 0.44620 0.23756 -0.00794 -0.36170 1.04316 131 4XX 0.00363 0.00041 0.00157 0.00173 0.01133 132 4YY 0.00763 0.00533 0.00594 -0.02371 -0.02631 133 4ZZ -0.00131 0.00168 -0.00284 0.00710 0.00872 134 4XY -0.00036 0.00088 -0.00608 -0.00492 -0.00248 135 4XZ -0.00694 -0.00197 -0.00530 -0.01626 0.01081 136 4YZ -0.00414 -0.00114 -0.00177 -0.00045 -0.00496 137 17 C 1S 0.00001 0.00000 -0.00291 0.00000 0.00000 138 2S -0.00001 -0.00001 -0.00490 -0.00001 -0.00001 139 2PX 0.00000 -0.00001 0.00336 -0.00001 0.00000 140 2PY -0.02141 0.00189 0.00002 -0.03250 0.34541 141 2PZ -0.00002 -0.00001 -0.00931 0.00000 0.00001 142 3S -0.00012 0.00001 0.02541 -0.00001 0.00005 143 3PX -0.00006 0.00002 0.04974 -0.00002 0.00003 144 3PY 0.08059 0.01695 0.00051 -0.94198 -0.13284 145 3PZ -0.00008 -0.00002 -0.02530 -0.00007 -0.00003 146 4XX 0.00000 0.00000 -0.00107 0.00000 0.00000 147 4YY 0.00000 0.00000 -0.00498 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00101 0.00000 0.00000 149 4XY -0.00121 0.00071 -0.00001 0.01230 -0.02168 150 4XZ 0.00000 0.00000 0.00178 0.00000 0.00000 151 4YZ 0.00467 -0.00091 0.00000 0.00448 0.00613 152 18 O 1S 0.00147 -0.00156 0.00070 0.02051 -0.03944 153 2S -0.01864 -0.01699 -0.00098 -0.05548 0.02453 154 2PX -0.00887 -0.00542 0.00427 -0.21009 0.19609 155 2PY 0.03111 -0.00187 0.01649 -0.07452 -0.00617 156 2PZ 0.03830 0.00244 -0.01083 0.13831 -0.12044 157 3S 0.05976 0.10206 -0.02471 -0.19560 0.93451 158 3PX 0.05481 0.04171 -0.00440 -0.50963 0.38667 159 3PY 0.02172 0.00087 -0.00404 -0.20648 -0.29358 160 3PZ 0.02758 -0.00807 -0.00122 0.33762 -0.26321 161 4XX -0.00186 -0.00650 -0.00257 -0.00339 -0.01618 162 4YY -0.00868 -0.00745 0.00171 0.00974 -0.00150 163 4ZZ 0.00263 -0.00355 0.00178 -0.00278 -0.02685 164 4XY -0.00533 0.00117 -0.00086 0.02203 0.02847 165 4XZ -0.00538 -0.00134 0.00107 -0.00175 -0.01164 166 4YZ 0.00365 0.00513 0.00051 -0.01349 -0.00896 167 19 H 1S -0.03620 -0.02345 0.00055 -0.04909 0.07987 168 2S -0.69466 -0.35924 -0.21784 -0.30194 -1.11709 169 20 H 1S 0.03615 0.02343 0.00048 0.04907 -0.07986 170 2S 0.69419 0.35881 -0.21860 0.30161 1.11692 171 21 H 1S 0.00001 -0.00001 0.00405 0.00000 0.00000 172 2S 0.00013 0.00002 0.02607 0.00003 0.00002 173 22 O 1S -0.00147 0.00156 0.00071 -0.02051 0.03944 174 2S 0.01865 0.01698 -0.00105 0.05547 -0.02455 175 2PX 0.00888 0.00539 0.00405 0.21008 -0.19611 176 2PY 0.03114 -0.00189 -0.01640 -0.07453 -0.00618 177 2PZ -0.03823 -0.00241 -0.01069 -0.13830 0.12042 178 3S -0.05979 -0.10216 -0.02473 0.19561 -0.93453 179 3PX -0.05484 -0.04177 -0.00489 0.50963 -0.38667 180 3PY 0.02177 0.00087 0.00431 -0.20644 -0.29363 181 3PZ -0.02748 0.00811 -0.00088 -0.33759 0.26317 182 4XX 0.00186 0.00650 -0.00258 0.00339 0.01618 183 4YY 0.00868 0.00745 0.00171 -0.00974 0.00149 184 4ZZ -0.00262 0.00356 0.00177 0.00278 0.02685 185 4XY -0.00533 0.00117 0.00083 0.02203 0.02847 186 4XZ 0.00537 0.00134 0.00106 0.00175 0.01165 187 4YZ 0.00365 0.00513 -0.00050 -0.01349 -0.00896 188 23 H 1S -0.00001 0.00000 0.00935 0.00000 0.00000 189 2S -0.00005 -0.00001 0.00355 -0.00002 -0.00001 66 67 68 69 70 V V V V V Eigenvalues -- 0.43552 0.47078 0.48268 0.48732 0.50573 1 1 C 1S -0.09086 -0.00822 -0.03935 -0.01124 -0.00340 2 2S 0.02612 -0.05830 0.01496 -0.16121 -0.30038 3 2PX 0.08714 0.17998 0.01955 0.17623 -0.01693 4 2PY 0.17878 0.04534 -0.21618 -0.25555 0.10633 5 2PZ -0.06273 0.12372 -0.19486 -0.06985 0.17616 6 3S 3.40746 0.14651 1.77305 0.41896 0.32126 7 3PX 0.60502 -0.14828 0.49487 -0.20028 0.03223 8 3PY 2.40437 -0.15992 -1.52090 0.30207 -0.17454 9 3PZ -1.28368 -0.14682 -2.38726 0.03453 -0.18731 10 4XX 0.00366 0.00116 0.00033 0.00931 0.00715 11 4YY -0.01033 0.00331 0.02145 -0.05331 -0.02518 12 4ZZ 0.00674 -0.02076 -0.01182 0.00058 -0.04692 13 4XY -0.00265 0.00773 -0.00232 -0.00504 0.00580 14 4XZ -0.00371 0.00285 -0.00767 0.00931 0.02639 15 4YZ 0.01068 -0.01671 0.00624 0.02105 -0.00617 16 2 C 1S 0.09086 -0.00823 0.03934 -0.01131 -0.00340 17 2S -0.02619 -0.05828 -0.01520 -0.16115 -0.30038 18 2PX -0.08717 0.17999 -0.01913 0.17625 -0.01702 19 2PY 0.17886 -0.04510 -0.21576 0.25587 -0.10638 20 2PZ 0.06270 0.12353 0.19486 -0.07024 0.17618 21 3S -3.40739 0.14738 -1.77262 0.42225 0.32112 22 3PX -0.60465 -0.14797 -0.49555 -0.19933 0.03227 23 3PY 2.40453 0.16196 -1.52105 -0.30002 0.17395 24 3PZ 1.28342 -0.14879 2.38762 0.03057 -0.18689 25 4XX -0.00365 0.00116 -0.00032 0.00931 0.00715 26 4YY 0.01031 0.00334 -0.02153 -0.05328 -0.02518 27 4ZZ -0.00674 -0.02077 0.01182 0.00057 -0.04692 28 4XY -0.00265 -0.00772 -0.00231 0.00504 -0.00581 29 4XZ 0.00371 0.00285 0.00767 0.00929 0.02640 30 4YZ 0.01067 0.01670 0.00621 -0.02106 0.00616 31 3 C 1S -0.07624 0.00678 -0.04852 0.01041 -0.00191 32 2S 0.06358 -0.11353 -0.00603 0.03887 -0.02979 33 2PX 0.08872 0.10283 -0.12976 -0.14255 0.01786 34 2PY -0.12642 0.06458 -0.06710 -0.04980 -0.03008 35 2PZ -0.16752 -0.08960 0.11072 0.09085 -0.30091 36 3S 2.15772 -0.01191 2.35272 -0.28095 -0.19049 37 3PX 0.72258 -0.04344 -0.78380 0.34882 -0.10243 38 3PY -1.79909 -0.04480 -1.08172 0.25147 0.14237 39 3PZ -0.25980 0.15604 2.28340 -0.26831 0.48260 40 4XX -0.00392 -0.01018 0.01326 -0.00326 0.02660 41 4YY -0.00238 0.00729 0.00984 -0.00008 -0.00480 42 4ZZ 0.01308 -0.00746 -0.02338 0.01635 -0.01568 43 4XY 0.00539 0.00749 -0.00468 0.01586 -0.01496 44 4XZ -0.00925 0.01511 -0.01106 0.01681 0.00321 45 4YZ 0.01643 0.01782 0.01280 -0.02504 0.02608 46 4 C 1S 0.05512 -0.00113 0.01133 0.00268 0.00001 47 2S 0.01998 -0.05977 -0.00344 -0.03140 -0.02582 48 2PX 0.10088 0.13094 -0.11093 0.09584 -0.10973 49 2PY -0.03745 0.13582 0.20408 -0.18407 0.18500 50 2PZ -0.04935 0.07603 0.06172 -0.08316 -0.07391 51 3S -1.77128 0.12261 -0.10746 -0.00937 0.18520 52 3PX 1.19926 -0.12329 -0.31848 -0.10188 0.06929 53 3PY 0.28933 -0.11958 1.16083 0.16038 -0.20096 54 3PZ -1.29985 -0.12811 -0.01360 0.13444 0.09846 55 4XX 0.01213 0.02858 -0.02011 -0.00499 -0.00667 56 4YY -0.00252 -0.02827 0.00833 0.02646 -0.03811 57 4ZZ -0.00423 -0.01172 0.01225 -0.02122 0.04465 58 4XY 0.00208 0.01468 0.00867 0.00406 -0.02391 59 4XZ -0.02779 0.00250 -0.00734 0.01476 -0.02430 60 4YZ 0.00111 0.01623 -0.00117 -0.00476 -0.00335 61 5 C 1S -0.05512 -0.00113 -0.01134 0.00271 0.00002 62 2S -0.01997 -0.05975 0.00333 -0.03144 -0.02582 63 2PX -0.10091 0.13078 0.11123 0.09573 -0.10969 64 2PY -0.03743 -0.13588 0.20413 0.18368 -0.18502 65 2PZ 0.04927 0.07621 -0.06187 -0.08313 -0.07388 66 3S 1.77131 0.12274 0.10767 -0.00964 0.18508 67 3PX -1.19953 -0.12377 0.31810 -0.10229 0.06953 68 3PY 0.28963 0.11845 1.16077 -0.16222 0.20130 69 3PZ 1.29956 -0.12780 0.01346 0.13426 0.09824 70 4XX -0.01215 0.02856 0.02014 -0.00503 -0.00667 71 4YY 0.00252 -0.02829 -0.00834 0.02648 -0.03810 72 4ZZ 0.00425 -0.01169 -0.01229 -0.02121 0.04465 73 4XY 0.00208 -0.01468 0.00866 -0.00407 0.02391 74 4XZ 0.02779 0.00252 0.00739 0.01474 -0.02433 75 4YZ 0.00110 -0.01622 -0.00117 0.00475 0.00338 76 6 C 1S 0.07624 0.00675 0.04854 0.01032 -0.00191 77 2S -0.06354 -0.11359 0.00606 0.03886 -0.02974 78 2PX -0.08880 0.10268 0.12972 -0.14273 0.01802 79 2PY -0.12634 -0.06460 -0.06706 0.04996 0.03004 80 2PZ 0.16752 -0.08944 -0.11048 0.09093 -0.30098 81 3S -2.15779 -0.01010 -2.35296 -0.27691 -0.19078 82 3PX -0.72281 -0.04439 0.78425 0.34767 -0.10236 83 3PY -1.79903 0.04546 -1.08245 -0.24954 -0.14233 84 3PZ 0.25995 0.15830 -2.28338 -0.26454 0.48204 85 4XX 0.00393 -0.01017 -0.01328 -0.00324 0.02660 86 4YY 0.00238 0.00729 -0.00983 -0.00006 -0.00480 87 4ZZ -0.01308 -0.00748 0.02342 0.01631 -0.01567 88 4XY 0.00540 -0.00747 -0.00471 -0.01586 0.01497 89 4XZ 0.00925 0.01511 0.01110 0.01679 0.00320 90 4YZ 0.01644 -0.01783 0.01283 0.02502 -0.02608 91 7 H 1S -0.04304 -0.00060 -0.03517 -0.10843 -0.10295 92 2S 0.99322 -0.08110 0.48798 -0.03009 -0.04161 93 8 H 1S 0.04303 -0.00060 0.03497 -0.10845 -0.10294 94 2S -0.99325 -0.08088 -0.48811 -0.02909 -0.04161 95 9 H 1S -0.08707 0.05092 0.03839 -0.01643 -0.04428 96 2S 0.73449 0.00393 0.27730 -0.04378 -0.05318 97 10 H 1S -0.06897 -0.07660 0.05925 -0.02478 0.12951 98 2S -0.25759 -0.03263 -0.21485 0.05810 -0.04962 99 11 H 1S 0.06894 -0.07647 -0.05934 -0.02471 0.12949 100 2S 0.25757 -0.03259 0.21483 0.05768 -0.04960 101 12 H 1S 0.08706 0.05098 -0.03836 -0.01640 -0.04428 102 2S -0.73448 0.00397 -0.27733 -0.04320 -0.05317 103 13 H 1S 0.04495 0.11374 0.06268 0.00724 -0.11366 104 2S 0.28597 -0.09324 -0.03046 -0.03071 0.04433 105 14 H 1S -0.04492 0.11382 -0.06250 0.00734 -0.11364 106 2S -0.28598 -0.09336 0.03029 -0.03070 0.04436 107 15 C 1S 0.01374 -0.00813 0.01267 0.00985 0.01873 108 2S -0.03205 -0.19213 -0.08240 0.04566 -0.10556 109 2PX 0.05429 -0.08903 0.13648 -0.15315 0.04681 110 2PY -0.01525 0.31203 -0.03310 -0.03256 -0.15518 111 2PZ -0.00715 0.19939 -0.03007 -0.18424 -0.25120 112 3S -0.22158 0.04065 0.02818 -0.00050 0.07831 113 3PX -0.07279 0.10050 -0.13388 0.26870 -0.00666 114 3PY 0.00488 -0.39994 -0.15581 0.11790 0.13890 115 3PZ 0.00638 -0.28614 0.04596 0.14225 0.28005 116 4XX -0.00092 0.01306 -0.01041 0.01253 -0.01141 117 4YY -0.00051 -0.06764 -0.00208 0.00047 -0.00389 118 4ZZ 0.00005 0.01003 0.00934 0.00678 0.01964 119 4XY -0.00125 -0.00023 -0.00383 0.00750 -0.01783 120 4XZ -0.00357 0.03390 -0.00250 -0.01448 -0.01265 121 4YZ 0.00073 -0.00279 0.00340 -0.01021 0.00186 122 16 C 1S -0.01373 -0.00812 -0.01266 0.00987 0.01874 123 2S 0.03210 -0.19215 0.08233 0.04550 -0.10557 124 2PX -0.05426 -0.08904 -0.13679 -0.15291 0.04694 125 2PY -0.01512 -0.31211 -0.03329 0.03269 0.15516 126 2PZ 0.00701 0.19931 0.03001 -0.18429 -0.25119 127 3S 0.22153 0.04030 -0.02818 -0.00016 0.07811 128 3PX 0.07285 0.10069 0.13443 0.26839 -0.00691 129 3PY 0.00475 0.39973 -0.15571 -0.11745 -0.13901 130 3PZ -0.00628 -0.28630 -0.04610 0.14243 0.28005 131 4XX 0.00092 0.01304 0.01045 0.01251 -0.01140 132 4YY 0.00053 -0.06763 0.00203 0.00045 -0.00388 133 4ZZ -0.00005 0.01003 -0.00933 0.00680 0.01965 134 4XY -0.00125 0.00024 -0.00385 -0.00750 0.01783 135 4XZ 0.00355 0.03391 0.00251 -0.01449 -0.01266 136 4YZ 0.00073 0.00279 0.00341 0.01020 -0.00186 137 17 C 1S 0.00000 0.00507 0.00000 0.00298 0.01418 138 2S 0.00001 -0.28782 -0.00034 -0.24088 -0.11585 139 2PX -0.00002 -0.37681 -0.00057 -0.46283 -0.23454 140 2PY 0.07965 -0.00009 0.21614 -0.00019 -0.00001 141 2PZ -0.00002 0.16393 0.00007 -0.04633 -0.07757 142 3S -0.00003 0.77706 0.00084 0.56212 0.14292 143 3PX 0.00001 0.81104 0.00128 1.06133 0.33836 144 3PY -0.00704 0.00014 -0.25584 0.00019 0.00000 145 3PZ 0.00009 -0.35896 -0.00012 0.13594 0.27214 146 4XX 0.00001 -0.02730 -0.00001 0.00536 0.01897 147 4YY 0.00000 0.04092 0.00004 0.01631 0.01104 148 4ZZ 0.00000 -0.00173 -0.00002 -0.02066 -0.01366 149 4XY -0.00517 0.00001 -0.01083 0.00001 0.00000 150 4XZ 0.00000 0.00235 0.00003 0.03193 0.00191 151 4YZ 0.00292 0.00000 -0.00302 0.00000 0.00000 152 18 O 1S -0.00431 0.01240 -0.00556 -0.00027 -0.00862 153 2S 0.03216 -0.00210 0.01304 0.08495 0.06223 154 2PX 0.06334 -0.10437 0.05495 -0.05987 -0.02792 155 2PY 0.01037 -0.06624 0.01690 -0.04717 -0.10923 156 2PZ -0.00579 0.02800 -0.03825 -0.08032 -0.14340 157 3S -0.00765 -0.31803 0.07870 -0.41185 -0.20911 158 3PX 0.03927 0.07198 0.01413 -0.03385 -0.02318 159 3PY 0.00046 0.28081 -0.00097 0.14210 0.05464 160 3PZ -0.02364 0.03025 -0.01584 -0.09146 -0.03178 161 4XX 0.00493 0.03485 0.00569 0.01420 -0.00664 162 4YY 0.01063 -0.06146 0.00711 -0.01549 -0.00572 163 4ZZ 0.00236 0.03798 -0.01298 0.04761 0.01187 164 4XY 0.00460 -0.02824 0.02216 -0.02602 -0.00346 165 4XZ -0.00106 0.00415 0.00738 0.01174 0.03728 166 4YZ -0.00453 0.01169 -0.01164 0.00597 -0.00326 167 19 H 1S 0.02028 -0.12540 0.04233 0.08178 0.11490 168 2S 0.14692 0.00104 0.22665 -0.14840 0.09060 169 20 H 1S -0.02022 -0.12538 -0.04239 0.08184 0.11494 170 2S -0.14693 0.00092 -0.22688 -0.14787 0.09055 171 21 H 1S -0.00002 0.03605 -0.00003 -0.06204 -0.02973 172 2S -0.00003 0.02038 0.00000 -0.03664 -0.12342 173 22 O 1S 0.00430 0.01239 0.00557 -0.00027 -0.00862 174 2S -0.03212 -0.00213 -0.01289 0.08499 0.06225 175 2PX -0.06332 -0.10435 -0.05513 -0.05974 -0.02790 176 2PY 0.01038 0.06622 0.01706 0.04714 0.10925 177 2PZ 0.00574 0.02800 0.03817 -0.08037 -0.14342 178 3S 0.00768 -0.31774 -0.07967 -0.41182 -0.20917 179 3PX -0.03927 0.07200 -0.01410 -0.03385 -0.02318 180 3PY 0.00052 -0.28075 -0.00145 -0.14214 -0.05464 181 3PZ 0.02358 0.03020 0.01572 -0.09150 -0.03176 182 4XX -0.00494 0.03485 -0.00563 0.01422 -0.00664 183 4YY -0.01061 -0.06146 -0.00719 -0.01547 -0.00572 184 4ZZ -0.00236 0.03797 0.01309 0.04759 0.01187 185 4XY 0.00459 0.02821 0.02223 0.02598 0.00346 186 4XZ 0.00107 0.00414 -0.00736 0.01176 0.03729 187 4YZ -0.00453 -0.01169 -0.01166 -0.00595 0.00326 188 23 H 1S 0.00003 -0.00248 0.00016 0.19725 0.08012 189 2S 0.00002 0.02741 0.00017 0.20381 0.12754 71 72 73 74 75 V V V V V Eigenvalues -- 0.53041 0.53409 0.54682 0.57017 0.57365 1 1 C 1S -0.00563 0.00195 -0.00157 -0.01621 0.03645 2 2S 0.24009 0.12114 0.02488 0.08086 0.12760 3 2PX 0.24183 0.12781 -0.08495 0.17284 0.16664 4 2PY 0.09114 0.12675 -0.01604 -0.24996 -0.29951 5 2PZ -0.05669 0.02599 -0.08688 -0.04476 -0.04132 6 3S -0.30097 -0.10775 0.15447 -0.03262 -0.75119 7 3PX -0.16640 -0.13557 0.20819 -0.08667 -0.26211 8 3PY -0.12865 -0.17964 -0.16453 0.26598 0.29172 9 3PZ 0.14576 -0.02226 -0.23849 -0.02380 0.61182 10 4XX -0.00138 -0.00624 0.00005 0.00769 -0.02763 11 4YY 0.04601 0.03447 0.00233 -0.01856 0.06989 12 4ZZ -0.01634 0.00032 0.00635 0.00424 0.01068 13 4XY 0.00379 0.00186 0.00231 0.02933 -0.00349 14 4XZ 0.00861 0.01233 0.00538 -0.01515 -0.02864 15 4YZ 0.03568 0.00762 0.00002 -0.03008 0.00749 16 2 C 1S -0.00564 0.00195 0.00157 -0.01608 -0.03650 17 2S 0.24013 0.12118 -0.02500 0.08117 -0.12724 18 2PX 0.24188 0.12790 0.08488 0.17302 -0.16626 19 2PY -0.09112 -0.12676 -0.01592 0.25071 -0.29880 20 2PZ -0.05670 0.02604 0.08685 -0.04496 0.04113 21 3S -0.30085 -0.10779 -0.15432 -0.03523 0.75133 22 3PX -0.16635 -0.13561 -0.20812 -0.08734 0.26198 23 3PY 0.12877 0.17954 -0.16464 -0.26693 0.29087 24 3PZ 0.14554 -0.02218 0.23850 -0.02138 -0.61201 25 4XX -0.00138 -0.00623 -0.00004 0.00759 0.02765 26 4YY 0.04601 0.03447 -0.00236 -0.01835 -0.06992 27 4ZZ -0.01633 0.00031 -0.00636 0.00429 -0.01065 28 4XY -0.00377 -0.00185 0.00230 -0.02933 -0.00357 29 4XZ 0.00860 0.01232 -0.00539 -0.01521 0.02858 30 4YZ -0.03569 -0.00763 0.00003 0.03007 0.00755 31 3 C 1S 0.00178 0.00642 -0.01238 0.03623 -0.00183 32 2S 0.08186 0.08068 0.01304 -0.00520 -0.09628 33 2PX 0.14758 -0.04153 0.06970 0.05097 -0.06577 34 2PY -0.00061 -0.05706 -0.00182 0.18366 -0.07605 35 2PZ 0.09246 -0.06499 0.01893 0.08108 -0.33002 36 3S 0.22465 -0.11275 0.40020 0.12383 -0.98720 37 3PX -0.20565 0.20468 -0.15653 -0.10541 0.16692 38 3PY -0.25376 0.02685 -0.21078 -0.22081 0.74825 39 3PZ -0.10034 0.20452 0.23176 -0.34078 0.27188 40 4XX 0.01058 0.00347 0.00587 -0.03072 0.03508 41 4YY -0.03744 -0.00006 -0.00461 0.05799 -0.03430 42 4ZZ 0.04548 0.02378 -0.00111 0.01570 -0.03988 43 4XY -0.02719 -0.00458 -0.01739 -0.03787 0.04092 44 4XZ -0.03806 -0.01312 -0.00013 -0.04593 0.04313 45 4YZ 0.00359 0.02369 0.00347 -0.01376 -0.00832 46 4 C 1S -0.00371 -0.00177 0.00777 -0.00968 0.00363 47 2S 0.16890 0.03821 -0.02055 0.09847 -0.18348 48 2PX -0.24022 0.03313 -0.04977 -0.27631 0.23595 49 2PY -0.06843 0.12011 0.04398 0.26240 0.02380 50 2PZ 0.31539 0.21699 0.03886 0.08099 -0.24402 51 3S -0.22571 -0.07215 -0.06282 -0.36024 0.84356 52 3PX 0.27810 -0.07882 0.11511 0.36390 -0.57194 53 3PY 0.09065 -0.17288 0.08166 -0.35791 -0.36863 54 3PZ -0.34591 -0.29696 -0.08829 -0.02569 0.64002 55 4XX 0.00570 0.04768 -0.01012 0.00009 -0.01469 56 4YY 0.04002 -0.01672 0.00314 -0.02776 0.00229 57 4ZZ -0.01968 -0.02374 0.00548 0.01840 0.00927 58 4XY -0.00563 0.01681 0.00018 0.01248 -0.00696 59 4XZ -0.02069 0.00008 -0.00986 0.00233 -0.00232 60 4YZ 0.01680 0.03145 0.00036 -0.03902 0.00750 61 5 C 1S -0.00371 -0.00177 -0.00777 -0.00967 -0.00366 62 2S 0.16887 0.03820 0.02053 0.09789 0.18375 63 2PX -0.24031 0.03321 0.04975 -0.27586 -0.23673 64 2PY 0.06849 -0.11995 0.04400 -0.26259 0.02287 65 2PZ 0.31523 0.21697 -0.03903 0.08041 0.24414 66 3S -0.22566 -0.07212 0.06286 -0.35769 -0.84476 67 3PX 0.27811 -0.07899 -0.11510 0.36269 0.57301 68 3PY -0.09089 0.17279 0.08164 0.35937 -0.36728 69 3PZ -0.34572 -0.29702 0.08850 -0.02408 -0.63970 70 4XX 0.00573 0.04769 0.01008 0.00003 0.01473 71 4YY 0.04001 -0.01676 -0.00314 -0.02771 -0.00241 72 4ZZ -0.01970 -0.02373 -0.00546 0.01840 -0.00922 73 4XY 0.00562 -0.01680 0.00020 -0.01244 -0.00698 74 4XZ -0.02067 0.00012 0.00986 0.00230 0.00236 75 4YZ -0.01682 -0.03145 0.00038 0.03902 0.00758 76 6 C 1S 0.00177 0.00642 0.01239 0.03624 0.00195 77 2S 0.08181 0.08065 -0.01311 -0.00549 0.09635 78 2PX 0.14746 -0.04167 -0.06966 0.05107 0.06590 79 2PY 0.00063 0.05706 -0.00186 -0.18355 -0.07633 80 2PZ 0.09244 -0.06502 -0.01891 0.08014 0.33036 81 3S 0.22482 -0.11297 -0.40018 0.12079 0.98725 82 3PX -0.20557 0.20502 0.15637 -0.10522 -0.16704 83 3PY 0.25380 -0.02691 -0.21089 0.21863 0.74824 84 3PZ -0.10012 0.20457 -0.23187 -0.34062 -0.27327 85 4XX 0.01059 0.00347 -0.00587 -0.03061 -0.03514 86 4YY -0.03746 -0.00007 0.00461 0.05789 0.03442 87 4ZZ 0.04547 0.02378 0.00110 0.01560 0.03995 88 4XY 0.02717 0.00456 -0.01738 0.03779 0.04104 89 4XZ -0.03805 -0.01311 0.00014 -0.04583 -0.04327 90 4YZ -0.00357 -0.02369 0.00348 0.01379 -0.00827 91 7 H 1S -0.12779 -0.05413 0.01350 0.12720 0.16228 92 2S 0.09587 0.02672 0.10866 -0.04036 -0.09931 93 8 H 1S -0.12777 -0.05414 -0.01347 0.12771 -0.16198 94 2S 0.09595 0.02671 -0.10867 -0.04084 0.09929 95 9 H 1S -0.12413 -0.02872 -0.01486 0.33781 -0.17913 96 2S 0.21011 0.09074 0.04619 -0.05220 -0.22164 97 10 H 1S -0.14519 -0.15867 0.01572 0.11112 0.09424 98 2S 0.08326 0.04428 0.01418 0.02249 0.12928 99 11 H 1S -0.14524 -0.15867 -0.01562 0.11137 -0.09395 100 2S 0.08320 0.04426 -0.01416 0.02288 -0.12908 101 12 H 1S -0.12418 -0.02874 0.01489 0.33736 0.17999 102 2S 0.21012 0.09075 -0.04628 -0.05285 0.22135 103 13 H 1S -0.01830 0.14797 0.02511 0.01404 0.05045 104 2S 0.03884 -0.08082 -0.01897 -0.02920 -0.08267 105 14 H 1S -0.01838 0.14791 -0.02520 0.01419 -0.05035 106 2S 0.03886 -0.08080 0.01902 -0.02956 0.08260 107 15 C 1S 0.01563 -0.00728 0.05309 0.00444 -0.01017 108 2S 0.06241 0.23119 -0.12367 0.14766 -0.21205 109 2PX 0.21200 -0.38850 0.16946 0.11880 -0.05106 110 2PY -0.15267 -0.01018 0.03923 0.07953 -0.12213 111 2PZ 0.00158 -0.07388 -0.09146 0.01573 -0.24509 112 3S 0.01082 -0.29972 -1.13696 -0.45088 0.77799 113 3PX -0.16911 0.49208 0.11955 -0.18187 -0.01622 114 3PY 0.29037 -0.00489 0.91173 -0.28402 -0.03936 115 3PZ -0.11929 0.05413 -0.34730 -0.00885 0.69106 116 4XX 0.00595 -0.01552 0.01096 -0.02035 0.00932 117 4YY 0.01900 0.03917 -0.00176 0.01236 -0.02742 118 4ZZ 0.00679 -0.00916 0.00145 0.03423 -0.00806 119 4XY -0.01457 0.04164 0.01512 -0.02009 -0.00521 120 4XZ -0.01459 -0.00768 -0.02099 -0.00390 -0.00570 121 4YZ 0.01276 -0.03246 -0.01287 -0.03675 -0.00162 122 16 C 1S 0.01563 -0.00731 -0.05308 0.00440 0.01019 123 2S 0.06234 0.23126 0.12347 0.14704 0.21264 124 2PX 0.21195 -0.38881 -0.16915 0.11909 0.05120 125 2PY 0.15267 0.01014 0.03924 -0.07891 -0.12214 126 2PZ 0.00156 -0.07384 0.09147 0.01498 0.24522 127 3S 0.01097 -0.29922 1.13730 -0.44841 -0.77916 128 3PX -0.16899 0.49243 -0.11998 -0.18296 0.01616 129 3PY -0.29034 0.00514 0.91166 0.28416 -0.03914 130 3PZ -0.11923 0.05433 0.34732 -0.00688 -0.69134 131 4XX 0.00594 -0.01553 -0.01095 -0.02030 -0.00935 132 4YY 0.01900 0.03917 0.00174 0.01224 0.02749 133 4ZZ 0.00678 -0.00918 -0.00145 0.03424 0.00812 134 4XY 0.01457 -0.04163 0.01515 0.02010 -0.00519 135 4XZ -0.01459 -0.00765 0.02099 -0.00393 0.00567 136 4YZ -0.01276 0.03246 -0.01290 0.03675 -0.00152 137 17 C 1S 0.01487 -0.02369 0.00001 -0.00488 0.00000 138 2S -0.12876 0.14488 -0.00005 0.04261 0.00001 139 2PX -0.25310 0.23313 -0.00008 -0.00952 -0.00012 140 2PY 0.00001 -0.00027 -0.84181 -0.00016 0.02023 141 2PZ 0.12048 -0.27303 0.00006 -0.17864 -0.00013 142 3S 0.20017 -0.25586 0.00007 -0.05970 -0.00001 143 3PX 0.42938 -0.21285 0.00001 -0.01932 0.00038 144 3PY -0.00002 0.00049 1.45704 0.00028 -0.06973 145 3PZ -0.20759 0.56998 -0.00013 0.50291 0.00034 146 4XX -0.00483 0.01347 0.00000 0.00467 0.00000 147 4YY 0.03165 -0.02810 0.00001 -0.01604 0.00000 148 4ZZ 0.00033 -0.02574 0.00000 -0.00241 0.00000 149 4XY 0.00000 0.00002 0.07799 -0.00001 0.00723 150 4XZ -0.00662 0.03317 -0.00001 0.01471 0.00003 151 4YZ 0.00000 -0.00002 -0.03735 0.00003 -0.01226 152 18 O 1S -0.00684 0.00075 -0.01247 -0.00457 0.00377 153 2S 0.08088 -0.16937 0.09227 -0.00824 -0.00555 154 2PX -0.01561 -0.07267 -0.00400 -0.00802 0.01592 155 2PY -0.16070 0.18178 -0.28469 0.08659 -0.04963 156 2PZ -0.04322 -0.03394 -0.05232 -0.04920 -0.06443 157 3S -0.26805 0.62401 -0.39586 0.15587 -0.27029 158 3PX 0.03654 0.03207 0.30848 0.04051 -0.14024 159 3PY 0.07448 -0.20159 0.03566 -0.04254 0.05901 160 3PZ 0.05037 -0.15952 -0.11015 -0.07120 0.05617 161 4XX 0.01511 -0.04565 -0.02721 0.00306 -0.02927 162 4YY -0.01476 -0.00493 -0.00372 0.00238 0.00242 163 4ZZ 0.01632 -0.05293 0.02124 -0.01110 0.00323 164 4XY -0.00090 -0.00523 -0.06190 -0.00509 0.01652 165 4XZ 0.02753 -0.04372 0.04623 -0.00013 0.02621 166 4YZ -0.00170 0.00881 0.01961 -0.00624 0.00077 167 19 H 1S -0.02088 0.11904 0.06600 0.15079 -0.02211 168 2S -0.14213 -0.07789 -0.44065 0.11683 0.13773 169 20 H 1S -0.02088 0.11895 -0.06610 0.15067 0.02247 170 2S -0.14207 -0.07778 0.44066 0.11730 -0.13778 171 21 H 1S 0.04615 -0.16911 0.00005 -0.05863 -0.00002 172 2S 0.04805 -0.08230 0.00001 -0.22654 -0.00009 173 22 O 1S -0.00684 0.00075 0.01247 -0.00456 -0.00379 174 2S 0.08088 -0.16945 -0.09215 -0.00829 0.00558 175 2PX -0.01560 -0.07271 0.00405 -0.00789 -0.01599 176 2PY 0.16071 -0.18198 -0.28454 -0.08642 -0.04979 177 2PZ -0.04322 -0.03389 0.05232 -0.04946 0.06437 178 3S -0.26807 0.62443 0.39542 0.15496 0.27051 179 3PX 0.03653 0.03186 -0.30852 0.04007 0.14039 180 3PY -0.07449 0.20168 0.03554 0.04232 0.05911 181 3PZ 0.05036 -0.15946 0.11028 -0.07089 -0.05636 182 4XX 0.01511 -0.04563 0.02724 0.00295 0.02929 183 4YY -0.01476 -0.00493 0.00373 0.00239 -0.00241 184 4ZZ 0.01632 -0.05294 -0.02121 -0.01113 -0.00324 185 4XY 0.00090 0.00519 -0.06190 0.00501 0.01655 186 4XZ 0.02753 -0.04377 -0.04620 0.00000 -0.02622 187 4YZ 0.00169 -0.00880 0.01962 0.00626 0.00077 188 23 H 1S 0.00973 0.13723 -0.00007 0.04846 0.00013 189 2S 0.06550 0.09284 -0.00005 0.11411 0.00019 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 0.00543 0.03425 -0.03173 0.01264 -0.05546 2 2S 0.12969 -0.03296 -0.25537 0.05688 0.18086 3 2PX -0.27646 -0.22650 -0.28197 -0.07748 0.04381 4 2PY 0.05195 0.00531 -0.17028 0.15600 0.20105 5 2PZ -0.11073 -0.03293 -0.37521 0.06253 -0.11236 6 3S 0.08891 -0.45993 0.36791 -0.53615 -0.25861 7 3PX 0.24693 0.02471 0.26716 -0.01735 0.05758 8 3PY -0.07850 0.24400 0.10798 -0.23231 -0.45531 9 3PZ -0.01961 0.70355 0.43454 0.23728 -0.19066 10 4XX -0.00705 -0.01975 0.00896 -0.02717 0.03744 11 4YY 0.02004 0.00684 -0.04866 0.03028 -0.04946 12 4ZZ 0.01888 0.03042 -0.06213 0.00615 -0.02545 13 4XY -0.00818 0.00548 -0.03206 0.00825 0.00423 14 4XZ -0.02572 0.00201 0.07268 0.02851 0.02727 15 4YZ 0.00019 0.00214 -0.00732 -0.02142 -0.01831 16 2 C 1S 0.00613 -0.03416 -0.03173 0.01268 0.05546 17 2S 0.12911 0.03544 -0.25536 0.05676 -0.18076 18 2PX -0.28087 0.22095 -0.28203 -0.07762 -0.04375 19 2PY -0.05179 0.00461 0.17025 -0.15607 0.20106 20 2PZ -0.11145 0.03060 -0.37526 0.06272 0.11232 21 3S 0.07955 0.46180 0.36777 -0.53638 0.25886 22 3PX 0.24738 -0.01971 0.26719 -0.01739 -0.05758 23 3PY 0.07364 0.24503 -0.10796 0.23177 -0.45528 24 3PZ -0.00556 -0.70385 0.43474 0.23787 0.19054 25 4XX -0.00746 0.01962 0.00897 -0.02718 -0.03744 26 4YY 0.02022 -0.00650 -0.04867 0.03029 0.04946 27 4ZZ 0.01949 -0.03005 -0.06214 0.00617 0.02547 28 4XY 0.00807 0.00561 0.03206 -0.00823 0.00424 29 4XZ -0.02569 -0.00253 0.07268 0.02849 -0.02729 30 4YZ -0.00023 0.00218 0.00731 0.02141 -0.01835 31 3 C 1S 0.00883 0.00942 0.02908 -0.02171 -0.02629 32 2S 0.08598 -0.05659 -0.18627 -0.03477 0.02400 33 2PX -0.03142 0.31420 0.00971 -0.32410 -0.16978 34 2PY -0.08587 0.13152 0.06475 0.14502 -0.05267 35 2PZ 0.07194 -0.07030 -0.13894 -0.12566 0.36232 36 3S -0.15323 -0.30182 0.35869 0.46941 -0.01203 37 3PX 0.07787 -0.28504 -0.07157 0.30972 0.15371 38 3PY 0.26265 0.03891 -0.04303 -0.97335 0.04440 39 3PZ -0.23615 -0.54233 -0.00869 0.40690 -0.12411 40 4XX -0.00091 0.00085 0.00582 -0.01250 0.01640 41 4YY 0.00440 -0.01001 -0.03165 0.02121 -0.03423 42 4ZZ 0.01251 0.00573 0.03950 -0.02514 -0.01697 43 4XY -0.02261 -0.02091 0.02105 0.01568 0.01089 44 4XZ -0.01222 -0.00596 -0.05174 -0.02292 0.04421 45 4YZ 0.00263 -0.00998 -0.01164 0.02274 0.01009 46 4 C 1S -0.00593 0.00311 -0.01173 0.00305 -0.02001 47 2S 0.00966 -0.03712 0.07003 0.06118 0.05905 48 2PX -0.01082 -0.09716 -0.13852 -0.11833 0.17768 49 2PY 0.27849 0.03034 0.09681 -0.27433 -0.27654 50 2PZ -0.03351 0.05729 0.14591 0.15843 -0.13700 51 3S -0.24975 0.11584 -0.03664 0.09698 -0.38045 52 3PX 0.01859 0.28249 0.27179 0.31543 -0.48849 53 3PY -0.49566 -0.34886 -0.07026 0.64291 0.55994 54 3PZ 0.10024 -0.11539 -0.24113 -0.47740 0.39477 55 4XX 0.01886 -0.01537 0.00730 -0.02498 -0.00747 56 4YY -0.05397 0.00739 0.01429 0.06544 -0.03103 57 4ZZ 0.01851 0.00059 -0.01551 -0.01608 0.01499 58 4XY -0.01102 -0.00936 -0.01495 0.03492 0.00992 59 4XZ 0.01959 -0.01826 -0.00465 -0.02933 0.03333 60 4YZ 0.00121 0.00668 0.01440 -0.03399 -0.00648 61 5 C 1S -0.00585 -0.00324 -0.01172 0.00303 0.02000 62 2S 0.00870 0.03736 0.07000 0.06147 -0.05907 63 2PX -0.01250 0.09668 -0.13851 -0.11869 -0.17765 64 2PY -0.27923 0.02440 -0.09677 0.27470 -0.27658 65 2PZ -0.03240 -0.05793 0.14591 0.15844 0.13693 66 3S -0.24652 -0.12120 -0.03655 0.09593 0.38051 67 3PX 0.02355 -0.28175 0.27186 0.31656 0.48845 68 3PY 0.50285 -0.33835 0.07016 -0.64347 0.56007 69 3PZ 0.09816 0.11751 -0.24093 -0.47771 -0.39451 70 4XX 0.01852 0.01572 0.00730 -0.02494 0.00749 71 4YY -0.05379 -0.00851 0.01428 0.06543 0.03101 72 4ZZ 0.01853 -0.00017 -0.01550 -0.01611 -0.01499 73 4XY 0.01122 -0.00916 0.01495 -0.03494 0.00996 74 4XZ 0.01921 0.01867 -0.00465 -0.02933 -0.03332 75 4YZ -0.00132 0.00670 -0.01441 0.03396 -0.00650 76 6 C 1S 0.00900 -0.00920 0.02908 -0.02167 0.02630 77 2S 0.08482 0.05821 -0.18625 -0.03489 -0.02389 78 2PX -0.02510 -0.31475 0.00979 -0.32422 0.16996 79 2PY 0.08332 0.13301 -0.06476 -0.14518 -0.05254 80 2PZ 0.07031 0.07169 -0.13894 -0.12582 -0.36220 81 3S -0.15955 0.29880 0.35847 0.46934 0.01163 82 3PX 0.07207 0.28648 -0.07174 0.31019 -0.15398 83 3PY -0.26378 0.03384 0.04295 0.97364 0.04375 84 3PZ -0.24622 0.53722 -0.00877 0.40595 0.12378 85 4XX -0.00086 -0.00090 0.00583 -0.01253 -0.01637 86 4YY 0.00417 0.01017 -0.03165 0.02124 0.03420 87 4ZZ 0.01259 -0.00547 0.03949 -0.02512 0.01698 88 4XY 0.02300 -0.02041 -0.02105 -0.01566 0.01089 89 4XZ -0.01231 0.00568 -0.05174 -0.02296 -0.04420 90 4YZ -0.00242 -0.01001 0.01166 -0.02275 0.01010 91 7 H 1S 0.05307 0.07942 -0.31628 0.09186 -0.17410 92 2S 0.01876 -0.21863 -0.00291 -0.11492 0.10993 93 8 H 1S 0.05475 -0.07821 -0.31628 0.09195 0.17402 94 2S 0.01446 0.21888 -0.00296 -0.11518 -0.10978 95 9 H 1S 0.04953 0.01853 -0.06016 0.04091 -0.15385 96 2S -0.08855 -0.05357 0.08314 0.42044 0.05193 97 10 H 1S 0.05010 -0.00859 -0.15019 -0.03697 0.02392 98 2S 0.05524 0.08889 -0.01951 -0.23074 -0.03210 99 11 H 1S 0.04999 0.00973 -0.15020 -0.03706 -0.02384 100 2S 0.05709 -0.08768 -0.01942 -0.23092 0.03219 101 12 H 1S 0.04975 -0.01713 -0.06017 0.04105 0.15374 102 2S -0.08970 0.05161 0.08312 0.42045 -0.05213 103 13 H 1S 0.04355 0.01104 -0.09633 -0.10370 0.02474 104 2S -0.00531 -0.09288 -0.08775 -0.14027 -0.04376 105 14 H 1S 0.04380 -0.01015 -0.09633 -0.10364 -0.02485 106 2S -0.00730 0.09271 -0.08769 -0.14003 0.04386 107 15 C 1S 0.01728 -0.01916 -0.01707 0.00679 -0.02229 108 2S 0.29071 -0.05649 -0.03852 0.11542 -0.01572 109 2PX -0.15698 0.40843 -0.01949 0.05571 0.07495 110 2PY -0.16786 -0.32332 0.18697 0.12277 -0.33181 111 2PZ 0.13996 -0.13078 0.03313 0.06741 -0.14264 112 3S -0.16393 0.37542 -0.12896 -0.36447 -0.14464 113 3PX 0.45283 -1.04700 0.00337 0.00404 -0.24982 114 3PY 0.46761 0.06921 -0.39718 -0.31326 0.76171 115 3PZ -0.25126 0.10943 0.04106 0.04651 0.13329 116 4XX 0.01739 0.03033 -0.01018 -0.01019 0.04524 117 4YY 0.04910 -0.05289 -0.02622 -0.01000 -0.06452 118 4ZZ -0.02202 0.02918 -0.00096 0.03994 0.00357 119 4XY 0.03363 0.00110 0.00220 0.00516 0.00138 120 4XZ -0.02811 -0.00475 0.00235 -0.01021 0.00388 121 4YZ -0.02380 0.01249 0.00916 -0.05940 0.00984 122 16 C 1S 0.01688 0.01951 -0.01706 0.00680 0.02228 123 2S 0.28936 0.06237 -0.03848 0.11542 0.01582 124 2PX -0.14877 -0.41130 -0.01950 0.05574 -0.07506 125 2PY 0.17449 -0.31983 -0.18695 -0.12303 -0.33185 126 2PZ 0.13708 0.13342 0.03312 0.06760 0.14272 127 3S -0.15580 -0.37880 -0.12929 -0.36428 0.14448 128 3PX 0.43159 1.05557 0.00350 0.00406 0.25002 129 3PY -0.46895 0.05984 0.39701 0.31384 0.76176 130 3PZ -0.24850 -0.11420 0.04079 0.04644 -0.13350 131 4XX 0.01802 -0.02999 -0.01018 -0.01024 -0.04523 132 4YY 0.04799 0.05388 -0.02622 -0.00995 0.06453 133 4ZZ -0.02143 -0.02959 -0.00096 0.03995 -0.00359 134 4XY -0.03364 0.00046 -0.00221 -0.00515 0.00137 135 4XZ -0.02820 0.00417 0.00236 -0.01022 -0.00387 136 4YZ 0.02354 0.01300 -0.00917 0.05941 0.00981 137 17 C 1S 0.01338 0.00014 -0.00394 0.00910 -0.00001 138 2S -0.13389 -0.00134 0.01478 -0.00611 0.00002 139 2PX -0.31948 -0.00325 0.04698 -0.11419 0.00004 140 2PY -0.00290 0.28180 0.00000 -0.00002 0.00399 141 2PZ 0.28025 0.00279 -0.03454 0.08448 -0.00003 142 3S 0.20406 0.00200 0.07411 -0.04465 0.00002 143 3PX 1.22955 0.01237 -0.08599 0.44126 -0.00003 144 3PY 0.00479 -0.46343 -0.00001 0.00001 -0.04085 145 3PZ -0.95425 -0.00949 0.09782 -0.31159 0.00009 146 4XX -0.02725 -0.00027 -0.00285 -0.01224 0.00000 147 4YY 0.03109 0.00031 0.00298 -0.02452 0.00001 148 4ZZ 0.03338 0.00034 -0.00043 0.05072 -0.00001 149 4XY 0.00002 -0.00163 0.00000 0.00001 0.00915 150 4XZ 0.03161 0.00032 -0.00663 0.01390 0.00001 151 4YZ 0.00021 -0.02008 0.00000 -0.00001 0.00021 152 18 O 1S -0.00072 0.00087 0.00393 -0.00281 0.00559 153 2S 0.14531 -0.07370 -0.02415 0.12852 -0.01197 154 2PX -0.03016 0.06655 -0.01760 0.02364 0.08598 155 2PY -0.05362 -0.03419 0.03974 0.12466 -0.05805 156 2PZ 0.12023 -0.08249 0.00200 0.03881 0.05787 157 3S -0.41678 -0.12601 0.05879 -0.22955 -0.23258 158 3PX 0.02901 -0.06867 0.02939 -0.00899 -0.13480 159 3PY 0.09348 0.05001 0.06804 0.04124 0.00769 160 3PZ -0.04777 0.16661 -0.01202 -0.04072 0.02847 161 4XX 0.04478 -0.04089 0.00667 0.04042 -0.03516 162 4YY 0.01094 -0.01288 -0.00890 0.03626 0.01870 163 4ZZ 0.05760 -0.04028 -0.00432 0.04195 0.00241 164 4XY -0.02395 0.03567 -0.00069 -0.02321 0.00373 165 4XZ -0.02278 0.05841 -0.01144 -0.00159 0.02438 166 4YZ 0.01692 -0.02140 0.00408 0.00721 -0.00298 167 19 H 1S 0.08127 -0.11189 -0.04669 0.30001 -0.19581 168 2S -0.34672 0.08094 0.19267 0.04777 -0.13952 169 20 H 1S 0.07892 0.11367 -0.04671 0.30022 0.19564 170 2S -0.34488 -0.08777 0.19251 0.04787 0.13951 171 21 H 1S 0.23759 0.00242 -0.02168 0.21995 -0.00007 172 2S 0.56452 0.00560 -0.08107 0.10691 0.00000 173 22 O 1S -0.00070 -0.00089 0.00393 -0.00281 -0.00559 174 2S 0.14375 0.07669 -0.02419 0.12856 0.01188 175 2PX -0.02882 -0.06711 -0.01761 0.02361 -0.08603 176 2PY 0.05432 -0.03311 -0.03973 -0.12473 -0.05806 177 2PZ 0.11849 0.08485 0.00199 0.03877 -0.05790 178 3S -0.41937 0.11741 0.05900 -0.22947 0.23291 179 3PX 0.02750 0.06920 0.02946 -0.00893 0.13489 180 3PY -0.09451 0.04812 -0.06800 -0.04123 0.00774 181 3PZ -0.04434 -0.16754 -0.01205 -0.04073 -0.02850 182 4XX 0.04392 0.04179 0.00666 0.04046 0.03516 183 4YY 0.01067 0.01312 -0.00891 0.03626 -0.01873 184 4ZZ 0.05676 0.04143 -0.00434 0.04196 -0.00243 185 4XY 0.02321 0.03614 0.00069 0.02321 0.00373 186 4XZ -0.02158 -0.05883 -0.01144 -0.00161 -0.02440 187 4YZ -0.01648 -0.02173 -0.00409 -0.00720 -0.00298 188 23 H 1S 0.20340 0.00205 -0.03745 0.10408 0.00001 189 2S 0.10964 0.00115 0.00855 0.05187 0.00001 81 82 83 84 85 V V V V V Eigenvalues -- 0.65172 0.68028 0.69178 0.72548 0.73815 1 1 C 1S 0.02707 0.01105 0.00306 0.00260 0.01282 2 2S -0.03192 0.07461 -0.11107 0.06394 -0.01145 3 2PX 0.20965 -0.42526 -0.03912 0.10100 0.28288 4 2PY -0.11667 -0.02754 -0.03263 0.01860 -0.22118 5 2PZ 0.17576 -0.32684 -0.09947 0.03107 0.05317 6 3S 0.27752 -0.34004 -0.06868 0.21031 0.31250 7 3PX -0.34112 0.67906 -0.04648 -0.30879 -0.49920 8 3PY 0.37538 -0.37663 -0.06243 -0.11403 0.00523 9 3PZ -0.24934 0.65729 0.30881 -0.15521 -0.61310 10 4XX -0.00580 -0.00643 0.00541 -0.00328 -0.00989 11 4YY 0.02393 -0.00065 -0.01212 0.01482 0.02904 12 4ZZ 0.01606 0.01298 -0.00244 0.00505 0.00716 13 4XY -0.00470 0.00628 -0.00836 0.00299 0.00716 14 4XZ -0.04811 0.00093 0.02599 -0.00397 -0.00671 15 4YZ -0.00862 -0.00426 -0.05509 0.02042 -0.01720 16 2 C 1S -0.02705 -0.01105 0.00311 0.00263 -0.01279 17 2S 0.03193 -0.07477 -0.11117 0.06388 0.01151 18 2PX -0.20966 0.42530 -0.03962 0.10146 -0.28325 19 2PY -0.11679 -0.02753 0.03276 -0.01820 -0.22141 20 2PZ -0.17566 0.32675 -0.09970 0.03117 -0.05319 21 3S -0.27804 0.33982 -0.06807 0.21111 -0.31261 22 3PX 0.34104 -0.67931 -0.04567 -0.30954 0.49911 23 3PY 0.37553 -0.37655 0.06221 0.11387 0.00593 24 3PZ 0.24954 -0.65680 0.30939 -0.15630 0.61358 25 4XX 0.00579 0.00644 0.00538 -0.00330 0.00986 26 4YY -0.02391 0.00063 -0.01208 0.01487 -0.02899 27 4ZZ -0.01605 -0.01300 -0.00240 0.00507 -0.00716 28 4XY -0.00471 0.00628 0.00836 -0.00300 0.00715 29 4XZ 0.04812 -0.00089 0.02596 -0.00399 0.00668 30 4YZ -0.00861 -0.00421 0.05508 -0.02040 -0.01715 31 3 C 1S 0.01396 -0.00841 0.01428 0.00264 0.00058 32 2S -0.21855 0.01738 -0.19789 -0.20500 0.02584 33 2PX -0.26840 -0.02135 0.00017 -0.60170 0.31919 34 2PY 0.18292 0.00767 0.29994 -0.00475 0.13189 35 2PZ -0.06300 -0.03480 0.04340 0.05521 0.20361 36 3S 0.74047 -0.24335 0.42982 0.65637 0.46717 37 3PX 0.39139 0.13913 0.38468 1.28458 -0.57538 38 3PY -0.61165 0.01662 -0.67384 0.02775 -0.44713 39 3PZ -0.24637 0.38575 0.09325 -0.44646 0.10101 40 4XX -0.00163 0.01035 -0.01112 0.01101 0.01415 41 4YY 0.01559 -0.00521 0.03445 -0.03788 -0.00751 42 4ZZ -0.01443 -0.00482 -0.01713 0.00587 0.01530 43 4XY 0.00392 -0.02112 0.01556 0.00186 -0.02190 44 4XZ -0.03870 0.02206 0.00297 -0.00525 -0.01397 45 4YZ 0.01261 0.02805 0.00584 0.01374 0.01525 46 4 C 1S -0.03344 -0.01268 0.00233 -0.02057 -0.00226 47 2S 0.36317 0.14248 -0.06169 0.07656 0.02993 48 2PX -0.18178 -0.05324 0.11970 -0.02740 -0.17425 49 2PY -0.43155 -0.38023 0.03963 0.27260 -0.05963 50 2PZ 0.18943 0.00904 0.21915 0.14508 0.11652 51 3S -1.35447 -0.49382 -0.19790 -0.88297 -0.04583 52 3PX 0.73026 0.17910 -0.18280 0.18410 0.57252 53 3PY 1.10601 1.17797 -0.02646 -0.60436 0.56060 54 3PZ -0.70785 -0.22658 -0.55568 -0.47758 -0.49016 55 4XX 0.00853 0.02161 0.02301 -0.02160 0.01863 56 4YY -0.03528 -0.03474 -0.01657 -0.01567 -0.00760 57 4ZZ 0.01896 0.01538 -0.02916 0.00282 -0.01240 58 4XY 0.00600 0.00592 0.08189 0.00066 0.00122 59 4XZ 0.00445 -0.02043 0.01862 0.04493 -0.02131 60 4YZ -0.00853 0.00061 0.01215 -0.02206 0.00451 61 5 C 1S 0.03344 0.01269 0.00232 -0.02057 0.00225 62 2S -0.36317 -0.14249 -0.06143 0.07662 -0.02996 63 2PX 0.18186 0.05338 0.11942 -0.02762 0.17412 64 2PY -0.43143 -0.38020 -0.03912 -0.27243 -0.05975 65 2PZ -0.18913 -0.00866 0.21921 0.14528 -0.11623 66 3S 1.35458 0.49366 -0.19906 -0.88309 0.04495 67 3PX -0.73045 -0.17939 -0.18160 0.18481 -0.57198 68 3PY 1.10569 1.17787 0.02474 0.60329 0.56084 69 3PZ 0.70689 0.22547 -0.55660 -0.47822 0.48877 70 4XX -0.00855 -0.02159 0.02304 -0.02158 -0.01866 71 4YY 0.03531 0.03474 -0.01662 -0.01567 0.00760 72 4ZZ -0.01897 -0.01540 -0.02913 0.00281 0.01238 73 4XY 0.00594 0.00582 -0.08188 -0.00065 0.00112 74 4XZ -0.00446 0.02044 0.01862 0.04489 0.02134 75 4YZ -0.00855 0.00057 -0.01216 0.02206 0.00457 76 6 C 1S -0.01398 0.00842 0.01428 0.00264 -0.00061 77 2S 0.21848 -0.01759 -0.19799 -0.20496 -0.02615 78 2PX 0.26818 0.02127 0.00024 -0.60118 -0.31986 79 2PY 0.18274 0.00735 -0.30017 0.00464 0.13141 80 2PZ 0.06295 0.03471 0.04312 0.05543 -0.20347 81 3S -0.73996 0.24393 0.43028 0.65704 -0.46577 82 3PX -0.39117 -0.13860 0.38488 1.28365 0.57690 83 3PY -0.61073 0.01753 0.67477 -0.02728 -0.44543 84 3PZ 0.24685 -0.38533 0.09359 -0.44600 -0.10135 85 4XX 0.00162 -0.01037 -0.01114 0.01102 -0.01416 86 4YY -0.01557 0.00525 0.03446 -0.03788 0.00751 87 4ZZ 0.01440 0.00480 -0.01712 0.00589 -0.01532 88 4XY 0.00390 -0.02114 -0.01552 -0.00185 -0.02189 89 4XZ 0.03870 -0.02206 0.00297 -0.00527 0.01398 90 4YZ 0.01259 0.02804 -0.00587 -0.01375 0.01522 91 7 H 1S 0.12504 0.04827 0.07852 0.01066 0.11903 92 2S -0.07861 -0.20199 -0.22959 0.01103 0.02290 93 8 H 1S -0.12493 -0.04826 0.07870 0.01088 -0.11875 94 2S 0.07845 0.20172 -0.22984 0.01114 -0.02348 95 9 H 1S 0.00797 -0.11800 0.09500 -0.08240 -0.11911 96 2S 0.08426 0.02851 0.18083 0.03264 0.15597 97 10 H 1S -0.08933 -0.09940 -0.11464 -0.01195 -0.17254 98 2S -0.27927 -0.27610 -0.11269 -0.12605 -0.24116 99 11 H 1S 0.08920 0.09925 -0.11478 -0.01222 0.17243 100 2S 0.27911 0.27596 -0.11320 -0.12632 0.24066 101 12 H 1S -0.00795 0.11810 0.09499 -0.08255 0.11904 102 2S -0.08392 -0.02818 0.18115 0.03281 -0.15518 103 13 H 1S 0.16703 0.09460 0.26501 -0.14309 -0.00002 104 2S 0.29315 0.23789 -0.07215 0.08429 0.29261 105 14 H 1S -0.16701 -0.09430 0.26517 -0.14317 0.00010 106 2S -0.29325 -0.23805 -0.07172 0.08469 -0.29297 107 15 C 1S -0.00301 0.01237 0.01250 -0.01721 0.00354 108 2S -0.14496 -0.01099 -0.24285 -0.17838 0.30953 109 2PX 0.25120 -0.24591 0.00240 0.08669 -0.33618 110 2PY 0.09194 0.03577 -0.19391 -0.05956 -0.35323 111 2PZ -0.00411 -0.02774 -0.30368 0.10764 -0.10821 112 3S 0.82829 -0.15651 0.58327 0.73417 -1.81351 113 3PX -0.69258 0.66910 -0.20414 -0.10556 0.96918 114 3PY -0.46507 -0.11390 0.42044 0.34425 1.06025 115 3PZ 0.46835 -0.05498 0.52476 0.00379 -0.36085 116 4XX -0.01583 -0.02126 0.02837 0.00623 0.02785 117 4YY 0.01910 0.00450 -0.00311 -0.01195 -0.05513 118 4ZZ -0.00198 0.00771 -0.03120 -0.02419 0.01511 119 4XY -0.00552 0.00004 -0.01238 -0.04184 0.01495 120 4XZ -0.01721 0.01093 -0.01009 -0.00442 0.00251 121 4YZ -0.00197 -0.00795 -0.01280 0.01984 -0.00164 122 16 C 1S 0.00301 -0.01235 0.01252 -0.01722 -0.00358 123 2S 0.14485 0.01080 -0.24294 -0.17801 -0.30950 124 2PX -0.25106 0.24589 0.00236 0.08628 0.33631 125 2PY 0.09189 0.03588 0.19381 0.05994 -0.35311 126 2PZ 0.00404 0.02747 -0.30353 0.10740 0.10849 127 3S -0.82820 0.15686 0.58317 0.73217 1.81437 128 3PX 0.69238 -0.66923 -0.20382 -0.10453 -0.96956 129 3PY -0.46489 -0.11407 -0.42030 -0.34530 1.05947 130 3PZ -0.46813 0.05550 0.52418 0.00361 0.36060 131 4XX 0.01583 0.02128 0.02832 0.00628 -0.02781 132 4YY -0.01913 -0.00452 -0.00309 -0.01201 0.05516 133 4ZZ 0.00200 -0.00772 -0.03120 -0.02418 -0.01518 134 4XY -0.00552 0.00003 0.01238 0.04182 0.01514 135 4XZ 0.01721 -0.01094 -0.01007 -0.00441 -0.00246 136 4YZ -0.00194 -0.00791 0.01281 -0.01984 -0.00178 137 17 C 1S 0.00000 0.00001 0.00618 -0.02052 -0.00001 138 2S -0.00001 -0.00004 -0.09210 -0.00946 0.00005 139 2PX 0.00000 0.00002 0.01967 -0.03797 -0.00015 140 2PY -0.01460 0.05938 -0.00004 0.00005 -0.04077 141 2PZ 0.00004 0.00012 0.15450 -0.04667 -0.00028 142 3S -0.00002 0.00000 0.06242 0.10402 0.00009 143 3PX -0.00009 -0.00011 -0.30982 -0.03006 0.00066 144 3PY 0.01177 -0.09565 0.00007 -0.00016 0.17805 145 3PZ -0.00010 -0.00035 -0.41049 0.24249 0.00095 146 4XX 0.00000 0.00000 0.00404 0.01179 0.00006 147 4YY -0.00002 -0.00001 -0.02019 0.00830 0.00006 148 4ZZ 0.00002 0.00002 0.01101 -0.04668 -0.00010 149 4XY 0.00650 -0.01356 0.00000 0.00000 -0.00510 150 4XZ -0.00001 -0.00003 -0.05211 0.01091 0.00012 151 4YZ -0.00623 -0.00341 0.00000 0.00000 0.00592 152 18 O 1S 0.00306 -0.00532 0.00255 0.01048 -0.00588 153 2S 0.08958 -0.08645 0.03187 -0.03911 -0.05296 154 2PX 0.07775 -0.11953 0.13659 0.13296 -0.06771 155 2PY -0.03027 0.05699 -0.09925 -0.07876 0.01583 156 2PZ 0.01283 -0.13663 0.09681 0.01337 -0.01202 157 3S -0.51432 0.45999 -0.39375 -0.21401 0.50724 158 3PX -0.13528 0.12457 -0.21873 -0.22031 0.19573 159 3PY 0.08224 -0.06046 0.05745 0.05998 -0.10721 160 3PZ 0.06454 0.00468 0.05041 0.05651 -0.12981 161 4XX 0.01616 -0.00965 -0.03325 -0.01994 -0.01823 162 4YY 0.02509 -0.03826 0.02546 -0.01238 0.00100 163 4ZZ 0.01865 -0.02235 0.01078 0.00369 -0.02297 164 4XY 0.00929 -0.00119 0.00983 0.00299 -0.02223 165 4XZ 0.01859 -0.00569 0.04166 -0.00041 -0.02496 166 4YZ -0.02211 0.01684 -0.00350 -0.02441 0.03994 167 19 H 1S 0.03780 0.14267 0.09256 -0.15531 -0.00525 168 2S 0.30782 -0.04318 -0.05757 -0.10471 -0.30434 169 20 H 1S -0.03761 -0.14243 0.09272 -0.15543 0.00438 170 2S -0.30776 0.04317 -0.05773 -0.10488 0.30469 171 21 H 1S 0.00008 0.00015 0.13334 -0.27276 -0.00059 172 2S -0.00003 0.00006 0.03656 0.00134 0.00008 173 22 O 1S -0.00307 0.00532 0.00254 0.01048 0.00592 174 2S -0.08951 0.08653 0.03176 -0.03916 0.05295 175 2PX -0.07768 0.11964 0.13647 0.13289 0.06784 176 2PY -0.03033 0.05701 0.09920 0.07877 0.01626 177 2PZ -0.01281 0.13674 0.09668 0.01342 0.01189 178 3S 0.51413 -0.46041 -0.39318 -0.21354 -0.50801 179 3PX 0.13521 -0.12475 -0.21850 -0.22010 -0.19616 180 3PY 0.08225 -0.06053 -0.05739 -0.05991 -0.10768 181 3PZ -0.06449 -0.00464 0.05043 0.05630 0.12978 182 4XX -0.01615 0.00964 -0.03327 -0.01997 0.01821 183 4YY -0.02506 0.03830 0.02540 -0.01238 -0.00108 184 4ZZ -0.01864 0.02238 0.01074 0.00368 0.02306 185 4XY 0.00930 -0.00120 -0.00983 -0.00297 -0.02226 186 4XZ -0.01856 0.00573 0.04166 -0.00045 0.02488 187 4YZ -0.02211 0.01683 0.00349 0.02436 0.04006 188 23 H 1S -0.00005 -0.00009 -0.20242 -0.11879 0.00032 189 2S -0.00004 -0.00009 -0.17292 0.04191 0.00022 86 87 88 89 90 V V V V V Eigenvalues -- 0.74712 0.76305 0.80486 0.81303 0.82473 1 1 C 1S 0.01222 -0.02003 0.02025 0.01432 0.00354 2 2S -0.02247 0.21873 -0.05089 -0.07761 -0.04118 3 2PX -0.22149 0.07097 -0.06543 -0.17877 0.09744 4 2PY 0.11407 -0.16084 0.17416 0.23630 0.00306 5 2PZ -0.05022 -0.20231 -0.02546 -0.05912 -0.06322 6 3S -0.27095 -0.95354 -0.57543 0.97394 -0.19809 7 3PX 0.17069 -0.23180 0.28357 0.25681 -0.19328 8 3PY -0.25441 0.45414 -0.64280 -0.65114 0.08918 9 3PZ 0.39473 0.45552 0.66271 -0.05395 0.20514 10 4XX -0.02255 0.02451 -0.00097 -0.04550 0.00858 11 4YY 0.01613 -0.00380 -0.02837 0.01697 -0.00644 12 4ZZ 0.00170 -0.02143 0.02642 0.02662 -0.00917 13 4XY 0.00059 0.02102 -0.00255 -0.02250 0.01101 14 4XZ -0.00214 -0.00217 -0.01638 -0.00748 -0.01046 15 4YZ -0.05006 -0.05562 -0.00009 0.02725 -0.02497 16 2 C 1S 0.01224 -0.02002 -0.02024 0.01429 0.00356 17 2S -0.02245 0.21867 0.05083 -0.07747 -0.04140 18 2PX -0.22089 0.07101 0.06556 -0.17881 0.09730 19 2PY -0.11375 0.16086 0.17435 -0.23590 -0.00286 20 2PZ -0.05000 -0.20234 0.02552 -0.05890 -0.06320 21 3S -0.27057 -0.95284 0.57465 0.97510 -0.19682 22 3PX 0.16963 -0.23192 -0.28376 0.25719 -0.19269 23 3PY 0.25428 -0.45427 -0.64357 0.64963 -0.08960 24 3PZ 0.39337 0.45525 -0.66266 -0.05587 0.20483 25 4XX -0.02256 0.02449 0.00101 -0.04548 0.00856 26 4YY 0.01618 -0.00377 0.02833 0.01702 -0.00640 27 4ZZ 0.00170 -0.02143 -0.02642 0.02659 -0.00918 28 4XY -0.00060 -0.02103 -0.00260 0.02250 -0.01102 29 4XZ -0.00215 -0.00215 0.01636 -0.00748 -0.01044 30 4YZ 0.05009 0.05561 -0.00006 -0.02724 0.02496 31 3 C 1S -0.01330 0.00256 0.01210 -0.01070 -0.00454 32 2S -0.02121 0.13450 -0.15484 0.27159 -0.12680 33 2PX 0.05384 -0.03457 -0.34000 0.02879 -0.08309 34 2PY 0.28865 -0.10265 0.08673 -0.12304 0.03054 35 2PZ 0.05059 -0.55738 -0.16222 0.18831 -0.06269 36 3S 0.25757 0.13599 0.58178 -0.73611 0.49393 37 3PX -0.13859 -0.12666 1.21155 -0.01476 0.14526 38 3PY -1.04226 -0.01007 -0.02329 0.13544 -0.10960 39 3PZ 0.15739 1.26018 -0.06850 -0.78500 0.23224 40 4XX -0.01096 -0.03177 0.02419 -0.00883 0.00133 41 4YY 0.03193 0.02716 -0.03337 0.01843 -0.01718 42 4ZZ -0.01942 0.03467 0.01516 -0.00202 0.00396 43 4XY -0.00144 0.00035 -0.01275 -0.00437 0.00287 44 4XZ 0.00292 -0.00951 -0.01783 -0.00126 0.00677 45 4YZ 0.00554 -0.04400 0.00464 0.01690 -0.00797 46 4 C 1S 0.00491 0.02119 -0.00062 0.00547 -0.00248 47 2S -0.06888 0.08087 -0.01311 0.05598 0.04208 48 2PX -0.04980 0.18918 0.01350 0.01736 -0.02783 49 2PY -0.14831 -0.13641 0.22725 0.00295 0.03281 50 2PZ 0.05476 -0.02901 0.38727 -0.06970 -0.03301 51 3S 0.26747 0.14610 0.07903 -0.35927 -0.14349 52 3PX 0.21956 -0.65361 0.23000 0.01013 0.03167 53 3PY 0.45912 0.15028 -1.04903 -0.17420 -0.05975 54 3PZ -0.30509 0.14103 -1.30863 0.19071 -0.01520 55 4XX -0.00637 0.02776 -0.04701 0.02605 0.00363 56 4YY 0.01689 0.00221 0.01878 -0.00962 0.00599 57 4ZZ -0.01473 0.00978 0.02142 -0.00797 -0.00602 58 4XY 0.04703 0.00064 -0.00241 -0.00566 0.01016 59 4XZ -0.01871 -0.00570 0.01296 0.00609 0.01201 60 4YZ -0.02503 0.04248 -0.01031 0.00551 0.01621 61 5 C 1S 0.00491 0.02120 0.00061 0.00547 -0.00248 62 2S -0.06883 0.08082 0.01304 0.05608 0.04197 63 2PX -0.05034 0.18923 -0.01364 0.01735 -0.02746 64 2PY 0.14827 0.13655 0.22712 -0.00286 -0.03275 65 2PZ 0.05483 -0.02906 -0.38746 -0.06999 -0.03262 66 3S 0.26734 0.14600 -0.07836 -0.35995 -0.14351 67 3PX 0.22151 -0.65376 -0.22988 0.01008 0.03056 68 3PY -0.45966 -0.15095 -1.04896 0.17350 0.05937 69 3PZ -0.30567 0.14091 1.30897 0.19130 -0.01630 70 4XX -0.00634 0.02779 0.04699 0.02612 0.00361 71 4YY 0.01690 0.00217 -0.01876 -0.00963 0.00596 72 4ZZ -0.01477 0.00979 -0.02144 -0.00803 -0.00601 73 4XY -0.04705 -0.00064 -0.00246 0.00566 -0.01016 74 4XZ -0.01873 -0.00570 -0.01295 0.00611 0.01203 75 4YZ 0.02501 -0.04247 -0.01037 -0.00553 -0.01621 76 6 C 1S -0.01330 0.00255 -0.01209 -0.01072 -0.00455 77 2S -0.02119 0.13459 0.15447 0.27173 -0.12684 78 2PX 0.05440 -0.03428 0.34002 0.02901 -0.08315 79 2PY -0.28891 0.10250 0.08664 0.12304 -0.03060 80 2PZ 0.05106 -0.55742 0.16221 0.18865 -0.06282 81 3S 0.25876 0.13597 -0.58098 -0.73567 0.49431 82 3PX -0.13952 -0.12728 -1.21185 -0.01530 0.14557 83 3PY 1.04327 0.01074 -0.02328 -0.13480 0.11011 84 3PZ 0.15686 1.26048 0.06897 -0.78517 0.23299 85 4XX -0.01093 -0.03179 -0.02417 -0.00886 0.00131 86 4YY 0.03191 0.02718 0.03335 0.01845 -0.01716 87 4ZZ -0.01938 0.03466 -0.01520 -0.00201 0.00396 88 4XY 0.00150 -0.00034 -0.01275 0.00434 -0.00288 89 4XZ 0.00288 -0.00950 0.01782 -0.00126 0.00679 90 4YZ -0.00557 0.04401 0.00465 -0.01691 0.00798 91 7 H 1S 0.15952 -0.03607 0.01147 0.02834 0.08464 92 2S -0.32048 -0.11206 -0.43472 -0.21061 -0.17870 93 8 H 1S 0.15973 -0.03602 -0.01126 0.02828 0.08463 94 2S -0.32033 -0.11198 0.43481 -0.20937 -0.17847 95 9 H 1S 0.03180 0.13877 -0.02178 0.04559 -0.05992 96 2S 0.43272 -0.05346 0.10136 0.00554 0.03176 97 10 H 1S -0.01806 0.08881 0.17652 -0.00357 -0.05372 98 2S -0.26083 0.15193 -0.54925 0.21703 0.07997 99 11 H 1S -0.01833 0.08878 -0.17686 -0.00388 -0.05357 100 2S -0.26108 0.15185 0.54938 0.21750 0.07918 101 12 H 1S 0.03162 0.13878 0.02174 0.04553 -0.05991 102 2S 0.43307 -0.05327 -0.10158 0.00582 0.03191 103 13 H 1S 0.05676 0.24709 0.19033 0.11723 0.02689 104 2S -0.20409 0.20481 -0.36170 -0.02065 -0.04337 105 14 H 1S 0.05682 0.24702 -0.19036 0.11695 0.02693 106 2S -0.20339 0.20494 0.36132 -0.02023 -0.04399 107 15 C 1S -0.00483 -0.00631 -0.00772 0.00233 -0.02179 108 2S 0.13158 0.14661 0.06508 0.03762 0.01821 109 2PX -0.01052 0.16303 -0.14953 0.09569 0.02926 110 2PY -0.02910 -0.09322 -0.45790 0.11395 -0.01689 111 2PZ 0.02777 0.20283 0.16799 -0.02363 -0.01205 112 3S -0.12466 0.23505 -1.02560 -0.13432 0.06267 113 3PX -0.12517 -0.10743 0.61667 -0.23487 -0.04035 114 3PY 0.12312 0.32929 1.70516 -0.30697 0.11542 115 3PZ -0.06481 -0.18929 -0.36413 0.14790 -0.05600 116 4XX 0.01208 -0.02359 0.01200 0.02512 -0.04625 117 4YY 0.02142 0.03121 -0.07972 -0.01747 0.01786 118 4ZZ -0.01809 0.00369 0.02496 0.02682 -0.01475 119 4XY -0.07012 -0.03957 0.00315 -0.00068 -0.00224 120 4XZ 0.02713 -0.02692 -0.01686 -0.05699 0.05352 121 4YZ 0.05113 -0.01241 -0.01770 -0.02227 0.02974 122 16 C 1S -0.00482 -0.00630 0.00771 0.00234 -0.02179 123 2S 0.13227 0.14664 -0.06510 0.03756 0.01809 124 2PX -0.01123 0.16304 0.14944 0.09582 0.02924 125 2PY 0.02993 0.09309 -0.45781 -0.11447 0.01714 126 2PZ 0.02763 0.20280 -0.16805 -0.02390 -0.01168 127 3S -0.12869 0.23498 1.02549 -0.13331 0.06209 128 3PX -0.12308 -0.10753 -0.61646 -0.23550 -0.03996 129 3PY -0.12558 -0.32899 1.70497 0.30876 -0.11685 130 3PZ -0.06580 -0.18927 0.36401 0.14856 -0.05726 131 4XX 0.01213 -0.02359 -0.01206 0.02512 -0.04625 132 4YY 0.02129 0.03123 0.07975 -0.01738 0.01781 133 4ZZ -0.01806 0.00369 -0.02497 0.02677 -0.01476 134 4XY 0.07008 0.03956 0.00314 0.00070 0.00224 135 4XZ 0.02714 -0.02691 0.01696 -0.05697 0.05351 136 4YZ -0.05112 0.01241 -0.01773 0.02225 -0.02973 137 17 C 1S 0.01032 -0.01307 0.00004 -0.03640 0.04837 138 2S 0.06047 0.09795 0.00013 -0.29464 0.17748 139 2PX -0.10449 -0.07460 0.00019 -0.33834 -0.11438 140 2PY 0.00005 0.00001 0.00341 0.00003 0.00002 141 2PZ -0.25448 -0.04927 0.00014 -0.54392 -0.68821 142 3S -0.01795 -0.15525 -0.00034 0.67949 -0.44924 143 3PX 0.66027 0.20960 -0.00027 0.61477 0.35177 144 3PY -0.00021 -0.00003 -0.07792 -0.00010 -0.00002 145 3PZ 0.78172 0.14738 -0.00043 1.32528 1.42381 146 4XX 0.05435 -0.01377 0.00003 -0.05377 -0.04512 147 4YY 0.05374 0.03191 0.00001 -0.02642 0.01359 148 4ZZ -0.06082 -0.01820 0.00002 0.01005 0.11159 149 4XY 0.00001 0.00000 -0.01158 0.00000 0.00000 150 4XZ 0.11366 0.00895 0.00003 -0.06819 -0.07695 151 4YZ -0.00001 0.00000 0.01394 0.00000 -0.00001 152 18 O 1S 0.01075 0.00578 0.00410 0.00802 -0.00382 153 2S 0.03473 -0.02257 -0.03030 -0.18157 0.17784 154 2PX -0.04321 0.07608 0.01781 0.19293 -0.17561 155 2PY -0.16253 -0.08083 0.01318 -0.04403 0.02572 156 2PZ -0.07624 0.00928 0.00098 -0.07594 0.20048 157 3S -0.25946 -0.07807 0.13727 0.00585 -0.14753 158 3PX -0.05336 -0.11348 -0.10004 -0.26624 0.11876 159 3PY 0.19194 0.03894 -0.12418 0.23162 -0.13594 160 3PZ -0.04955 0.02478 0.02612 -0.06375 -0.31845 161 4XX 0.00700 0.00828 -0.01897 -0.04721 0.07347 162 4YY -0.02041 -0.01747 0.02972 -0.06183 0.06068 163 4ZZ 0.04620 -0.01039 -0.01712 -0.05529 0.03651 164 4XY 0.01375 0.00861 -0.03108 -0.02250 0.03534 165 4XZ -0.03083 -0.00714 -0.00350 0.03574 0.00760 166 4YZ -0.03921 -0.01442 0.01023 0.03352 0.02400 167 19 H 1S -0.30472 0.03155 0.15984 0.11636 -0.23258 168 2S 0.30929 -0.22558 -0.76534 0.03657 0.12831 169 20 H 1S -0.30466 0.03155 -0.16005 0.11610 -0.23251 170 2S 0.30846 -0.22544 0.76549 0.03759 0.12719 171 21 H 1S -0.32965 -0.14094 0.00021 0.00674 0.76027 172 2S 0.03555 0.06900 0.00027 -1.06600 -1.32189 173 22 O 1S 0.01073 0.00577 -0.00411 0.00802 -0.00382 174 2S 0.03462 -0.02257 0.03057 -0.18153 0.17777 175 2PX -0.04335 0.07606 -0.01821 0.19293 -0.17558 176 2PY 0.16247 0.08084 0.01313 0.04404 -0.02572 177 2PZ -0.07627 0.00928 -0.00090 -0.07593 0.20055 178 3S -0.25834 -0.07805 -0.13729 0.00565 -0.14716 179 3PX -0.05294 -0.11343 0.10052 -0.26618 0.11879 180 3PY -0.19167 -0.03897 -0.12391 -0.23172 0.13607 181 3PZ -0.04982 0.02476 -0.02616 -0.06380 -0.31844 182 4XX 0.00697 0.00829 0.01905 -0.04720 0.07344 183 4YY -0.02040 -0.01748 -0.02963 -0.06186 0.06068 184 4ZZ 0.04615 -0.01039 0.01720 -0.05526 0.03648 185 4XY -0.01370 -0.00862 -0.03111 0.02246 -0.03532 186 4XZ -0.03089 -0.00714 0.00347 0.03574 0.00760 187 4YZ 0.03912 0.01442 0.01025 -0.03350 -0.02399 188 23 H 1S 0.42988 -0.10564 0.00041 -0.53904 -0.10263 189 2S 0.18984 0.23702 -0.00046 1.03366 1.09430 91 92 93 94 95 V V V V V Eigenvalues -- 0.83568 0.84780 0.84912 0.85910 0.86660 1 1 C 1S -0.01248 -0.01457 -0.01492 0.00230 -0.02008 2 2S 0.25390 0.11391 -0.04254 0.05289 0.19901 3 2PX 0.03025 -0.03064 -0.33316 0.01688 -0.18889 4 2PY 0.35233 -0.15490 -0.43315 0.10193 -0.09681 5 2PZ 0.04053 0.09143 0.27503 -0.19303 0.45534 6 3S -1.50794 -0.56509 1.45538 0.40684 0.16808 7 3PX -0.19908 0.12440 1.39279 -0.03349 0.57339 8 3PY -0.79600 0.34566 1.94719 -0.34395 0.59472 9 3PZ 0.26982 -0.13600 -1.49183 0.24940 -1.43815 10 4XX 0.01684 0.01187 -0.01009 -0.03510 0.01871 11 4YY -0.04398 0.00458 0.06326 0.01877 0.03643 12 4ZZ 0.02810 -0.01563 -0.01925 0.01807 -0.00625 13 4XY -0.00169 0.00069 0.00844 -0.02052 -0.01834 14 4XZ -0.02264 0.01506 0.00473 0.01954 0.03008 15 4YZ -0.00639 0.00046 -0.00571 -0.00652 0.04851 16 2 C 1S 0.01252 -0.01432 0.01516 0.00235 0.02009 17 2S -0.25404 0.11429 0.04053 0.05298 -0.19904 18 2PX -0.03026 -0.02533 0.33343 0.01769 0.18895 19 2PY 0.35194 0.14877 -0.43562 -0.10274 -0.09681 20 2PZ -0.04071 0.08694 -0.27618 -0.19427 -0.45518 21 3S 1.50909 -0.58637 -1.44580 0.40266 -0.16916 22 3PX 0.19901 0.10195 -1.39406 -0.03668 -0.57342 23 3PY -0.79512 -0.31697 1.95259 0.34787 0.59470 24 3PZ -0.26940 -0.11173 1.49286 0.25489 1.43843 25 4XX -0.01690 0.01202 0.00994 -0.03508 -0.01870 26 4YY 0.04400 0.00368 -0.06338 0.01862 -0.03642 27 4ZZ -0.02804 -0.01542 0.01950 0.01808 0.00621 28 4XY -0.00167 -0.00054 0.00840 0.02051 -0.01837 29 4XZ 0.02264 0.01509 -0.00504 0.01950 -0.03006 30 4YZ -0.00641 -0.00059 -0.00572 0.00658 0.04857 31 3 C 1S 0.01292 0.01202 -0.00779 0.00059 0.02484 32 2S -0.06629 -0.00575 -0.06930 0.08989 -0.23057 33 2PX -0.13270 0.14245 -0.25154 0.02730 0.02286 34 2PY 0.00012 0.17304 0.23972 -0.04562 -0.23505 35 2PZ 0.00503 -0.02224 0.16233 0.01886 -0.12386 36 3S 0.32116 -0.19611 1.44670 -0.05883 0.78214 37 3PX 0.48962 -0.30995 1.39989 0.19619 -0.30470 38 3PY 0.28812 -0.28914 -1.22164 -0.00097 0.25798 39 3PZ -0.74842 0.38651 -0.49003 -0.32922 0.36109 40 4XX 0.03972 0.01095 -0.01085 0.01115 -0.05055 41 4YY -0.04020 0.00996 -0.00035 -0.00266 0.08248 42 4ZZ 0.01086 -0.00394 0.03244 0.00407 -0.03978 43 4XY -0.00200 -0.00930 0.03202 0.01348 -0.00920 44 4XZ -0.03137 0.00021 -0.00021 -0.00555 0.00509 45 4YZ 0.00531 -0.00706 0.00133 -0.00992 -0.04977 46 4 C 1S -0.00708 -0.00216 -0.00893 0.01126 -0.00079 47 2S 0.15895 -0.23591 0.11211 0.18664 -0.05354 48 2PX -0.38902 0.16719 -0.00508 0.39052 -0.18630 49 2PY 0.22263 -0.09647 0.18102 0.04230 -0.14443 50 2PZ -0.24060 0.31184 0.15018 0.28336 -0.18841 51 3S -0.14511 0.87936 -0.87993 -0.75969 0.07416 52 3PX 1.39322 -0.17721 0.25792 -0.62074 0.42790 53 3PY -1.09186 0.42990 -0.93391 -0.32840 0.51568 54 3PZ 0.41681 -0.46618 -1.14533 -0.36873 0.85202 55 4XX -0.01273 -0.06129 0.03343 -0.02716 0.00381 56 4YY 0.02649 -0.00699 0.02138 0.00208 -0.01357 57 4ZZ 0.00692 0.03891 -0.06773 0.05609 0.00071 58 4XY 0.00455 -0.04176 0.00486 -0.07055 0.01467 59 4XZ -0.00587 -0.02778 0.04357 0.02893 -0.00054 60 4YZ 0.00813 -0.08274 0.00682 -0.03943 -0.00629 61 5 C 1S 0.00709 -0.00201 0.00895 0.01127 0.00077 62 2S -0.15853 -0.23816 -0.10849 0.18653 0.05340 63 2PX 0.38869 0.16765 0.00173 0.39064 0.18591 64 2PY 0.22258 0.10002 0.17940 -0.04221 -0.14424 65 2PZ 0.24006 0.30955 -0.15569 0.28366 0.18824 66 3S 0.14353 0.89440 0.86649 -0.75812 -0.07315 67 3PX -1.39272 -0.18333 -0.25415 -0.62148 -0.42701 68 3PY -1.09147 -0.44709 -0.92669 0.32829 0.51451 69 3PZ -0.41586 -0.44685 1.15357 -0.36906 -0.85206 70 4XX 0.01282 -0.06180 -0.03237 -0.02721 -0.00382 71 4YY -0.02646 -0.00734 -0.02127 0.00211 0.01362 72 4ZZ -0.00697 0.03994 0.06699 0.05616 -0.00077 73 4XY 0.00448 0.04179 0.00406 0.07055 0.01463 74 4XZ 0.00592 -0.02852 -0.04318 0.02881 0.00048 75 4YZ 0.00800 0.08289 0.00540 0.03949 -0.00628 76 6 C 1S -0.01296 0.01214 0.00760 0.00058 -0.02484 77 2S 0.06649 -0.00472 0.06932 0.08997 0.23060 78 2PX 0.13254 0.14681 0.24915 0.02758 -0.02281 79 2PY 0.00032 -0.16870 0.24265 0.04616 -0.23553 80 2PZ -0.00485 -0.02467 -0.16183 0.01902 0.12384 81 3S -0.32125 -0.22090 -1.44353 -0.06202 -0.78216 82 3PX -0.48948 -0.33406 -1.39509 0.19501 0.30428 83 3PY 0.28828 0.26849 -1.22683 -0.00223 0.25936 84 3PZ 0.74732 0.39471 0.48351 -0.32992 -0.36017 85 4XX -0.03973 0.01099 0.01066 0.01120 0.05056 86 4YY 0.04020 0.01012 0.00018 -0.00272 -0.08248 87 4ZZ -0.01086 -0.00457 -0.03239 0.00401 0.03980 88 4XY -0.00202 0.00985 0.03191 -0.01343 -0.00923 89 4XZ 0.03135 0.00032 0.00021 -0.00553 -0.00511 90 4YZ 0.00528 0.00709 0.00120 0.00979 -0.04976 91 7 H 1S -0.00722 -0.08706 -0.17906 0.01188 -0.32298 92 2S -0.22458 0.34333 1.42031 -0.26631 1.28234 93 8 H 1S 0.00741 -0.08438 0.18058 0.01262 0.32305 94 2S 0.22390 0.32128 -1.42532 -0.27061 -1.28243 95 9 H 1S -0.00285 -0.01837 -0.15589 0.01223 0.27996 96 2S -0.03436 0.19061 0.62545 0.04710 -0.68881 97 10 H 1S -0.09522 0.28314 -0.15869 0.37641 0.01476 98 2S 0.65444 -0.85432 -0.06532 -0.43628 0.42638 99 11 H 1S 0.09475 0.28589 0.15340 0.37652 -0.01506 100 2S -0.65295 -0.85372 0.07999 -0.43694 -0.42624 101 12 H 1S 0.00287 -0.01555 0.15620 0.01238 -0.28013 102 2S 0.03438 0.17929 -0.62903 0.04583 0.68979 103 13 H 1S 0.06005 -0.34835 -0.12146 -0.17164 -0.06947 104 2S 0.48201 0.33249 -0.11111 0.85510 0.56127 105 14 H 1S -0.05951 -0.34655 0.12741 -0.17146 0.06933 106 2S -0.48249 0.33388 0.10437 0.85454 -0.56196 107 15 C 1S -0.01141 0.01829 -0.01138 -0.00750 0.00194 108 2S 0.20718 -0.10738 0.01891 -0.17977 0.03739 109 2PX -0.03393 -0.28189 -0.01400 0.14882 -0.06464 110 2PY 0.07580 -0.17862 0.09929 0.06777 -0.29335 111 2PZ -0.43122 0.18350 -0.21116 -0.07059 0.13763 112 3S 0.14267 0.27358 0.02698 0.22001 -0.57170 113 3PX -0.25750 0.43959 -0.07244 -0.38474 0.27808 114 3PY -0.86488 0.36795 -0.06782 -0.12638 0.85352 115 3PZ 1.63483 -0.44303 0.72377 0.25795 -0.42905 116 4XX 0.00630 -0.00577 0.03310 0.03807 -0.01772 117 4YY 0.02538 0.00706 0.00853 -0.02738 -0.03874 118 4ZZ 0.02274 -0.01060 -0.03366 -0.01444 0.03354 119 4XY -0.00161 0.00503 -0.01222 0.00310 0.01092 120 4XZ -0.01040 -0.01902 0.00473 0.00245 -0.01684 121 4YZ 0.00334 -0.01458 0.00915 -0.03408 -0.01815 122 16 C 1S 0.01139 0.01849 0.01109 -0.00749 -0.00192 123 2S -0.20692 -0.10818 -0.01703 -0.17999 -0.03689 124 2PX 0.03452 -0.28152 0.01834 0.14898 0.06424 125 2PY 0.07535 0.18032 0.09651 -0.06823 -0.29329 126 2PZ 0.43088 0.18784 0.20836 -0.07069 -0.13765 127 3S -0.14348 0.27338 -0.03149 0.22187 0.57080 128 3PX 0.25651 0.44108 0.06592 -0.38550 -0.27735 129 3PY -0.86379 -0.37031 -0.06204 0.12842 0.85347 130 3PZ -1.63395 -0.45833 -0.71705 0.25831 0.42886 131 4XX -0.00625 -0.00633 -0.03306 0.03806 0.01768 132 4YY -0.02542 0.00688 -0.00862 -0.02730 0.03880 133 4ZZ -0.02269 -0.01010 0.03387 -0.01446 -0.03352 134 4XY -0.00160 -0.00523 -0.01217 -0.00310 0.01095 135 4XZ 0.01041 -0.01907 -0.00448 0.00248 0.01685 136 4YZ 0.00333 0.01472 0.00888 0.03406 -0.01822 137 17 C 1S 0.00001 -0.02399 0.00017 0.02832 -0.00003 138 2S -0.00034 0.31802 -0.00240 -0.59390 0.00077 139 2PX 0.00022 -0.19471 0.00140 0.21487 -0.00028 140 2PY -0.00072 -0.00002 -0.00219 0.00000 0.00929 141 2PZ 0.00042 -0.19862 0.00150 -0.11734 0.00010 142 3S 0.00067 -0.61872 0.00473 1.22428 -0.00162 143 3PX -0.00056 0.53404 -0.00390 -0.49910 0.00067 144 3PY -0.00702 -0.00079 -0.09531 -0.00004 -0.00539 145 3PZ -0.00070 0.28946 -0.00228 0.49476 -0.00045 146 4XX 0.00009 -0.06545 0.00046 0.07533 -0.00008 147 4YY -0.00006 0.06317 -0.00045 -0.11121 0.00013 148 4ZZ -0.00006 0.01435 -0.00010 -0.00164 0.00001 149 4XY -0.00332 0.00009 0.01040 0.00000 -0.00183 150 4XZ 0.00009 -0.04597 0.00032 0.02614 -0.00003 151 4YZ -0.00987 0.00005 0.00671 0.00000 -0.00534 152 18 O 1S 0.00563 -0.00130 0.00256 0.00108 0.00061 153 2S 0.05972 -0.08409 -0.03881 0.04940 -0.06788 154 2PX -0.03274 0.06158 0.01961 -0.04904 -0.04426 155 2PY 0.00388 -0.03390 -0.04161 0.02109 -0.01547 156 2PZ -0.10982 0.02557 0.01456 0.00321 -0.06110 157 3S -0.44855 0.32514 -0.10894 -0.32706 0.21315 158 3PX -0.13625 -0.03565 -0.13940 -0.02732 0.06191 159 3PY 0.10143 -0.06138 0.04558 0.04637 -0.03205 160 3PZ 0.04479 -0.06582 0.00029 -0.00506 0.05703 161 4XX 0.01359 0.00642 -0.03791 -0.04701 -0.01158 162 4YY 0.01391 -0.03657 -0.01512 0.05674 0.00084 163 4ZZ 0.01924 -0.04023 0.01298 0.02825 -0.03899 164 4XY 0.01594 0.01939 0.01314 -0.03677 -0.01756 165 4XZ 0.00867 -0.01961 -0.00027 0.02893 0.01094 166 4YZ 0.00537 0.02698 -0.01196 -0.00715 0.01496 167 19 H 1S -0.01642 0.09600 -0.22901 0.00736 0.23061 168 2S 1.13717 -0.47946 0.52554 0.13170 -0.63604 169 20 H 1S 0.01640 0.09973 0.22752 0.00723 -0.23069 170 2S -1.13618 -0.49037 -0.51823 0.13245 0.63624 171 21 H 1S -0.00031 -0.00246 0.00000 0.18057 -0.00018 172 2S 0.00053 -0.02274 0.00020 -0.76033 0.00085 173 22 O 1S -0.00562 -0.00136 -0.00254 0.00108 -0.00060 174 2S -0.05963 -0.08360 0.03989 0.04954 0.06785 175 2PX 0.03272 0.06131 -0.02053 -0.04900 0.04441 176 2PY 0.00383 0.03322 -0.04203 -0.02116 -0.01544 177 2PZ 0.10953 0.02555 -0.01507 0.00326 0.06117 178 3S 0.44791 0.32787 0.10436 -0.32748 -0.21261 179 3PX 0.13623 -0.03305 0.14002 -0.02731 -0.06198 180 3PY 0.10117 0.06231 0.04451 -0.04645 -0.03200 181 3PZ -0.04435 -0.06589 0.00078 -0.00508 -0.05713 182 4XX -0.01364 0.00701 0.03780 -0.04695 0.01170 183 4YY -0.01387 -0.03636 0.01558 0.05673 -0.00094 184 4ZZ -0.01916 -0.04048 -0.01246 0.02831 0.03897 185 4XY 0.01600 -0.01915 0.01342 0.03674 -0.01765 186 4XZ -0.00864 -0.01961 0.00058 0.02894 -0.01102 187 4YZ 0.00545 -0.02716 -0.01157 0.00717 0.01495 188 23 H 1S 0.00054 -0.41038 0.00289 0.47308 -0.00053 189 2S -0.00128 0.92157 -0.00675 -0.78763 0.00104 96 97 98 99 100 V V V V V Eigenvalues -- 0.88228 0.88805 0.89108 0.89725 0.90402 1 1 C 1S -0.02137 -0.00680 -0.00463 0.00552 -0.00765 2 2S 0.01113 0.10161 0.14374 -0.01984 0.32309 3 2PX -0.21908 -0.07766 0.06392 -0.00455 -0.19880 4 2PY -0.12669 0.24830 -0.09339 -0.08461 -0.20393 5 2PZ 0.26877 0.38510 -0.18949 -0.05453 0.36319 6 3S 0.25061 0.06389 -1.07515 -0.75876 -0.90182 7 3PX 0.39084 0.32368 -0.35928 0.05518 0.50409 8 3PY 0.19398 -1.47979 0.48955 0.66550 0.63457 9 3PZ -0.87666 -2.04247 1.23711 0.09639 -0.88058 10 4XX 0.02900 0.02088 0.01247 -0.00044 0.02033 11 4YY -0.01101 -0.02736 0.01765 -0.03670 0.00914 12 4ZZ -0.02061 0.03478 -0.04451 0.02700 0.02656 13 4XY -0.03163 -0.00489 0.00560 0.06951 -0.01827 14 4XZ -0.00054 -0.02677 0.00987 -0.03465 0.04272 15 4YZ 0.07048 0.02096 0.00329 -0.04740 0.04598 16 2 C 1S -0.02133 0.00682 0.00470 0.00553 -0.00765 17 2S 0.01045 -0.10187 -0.14383 -0.01986 0.32301 18 2PX -0.21907 0.07799 -0.06333 -0.00436 -0.19876 19 2PY 0.12687 0.24787 -0.09354 0.08538 0.20398 20 2PZ 0.26865 -0.38540 0.18851 -0.05567 0.36307 21 3S 0.25418 -0.06238 1.07316 -0.76082 -0.90156 22 3PX 0.39135 -0.32457 0.35847 0.05403 0.50392 23 3PY -0.19491 -1.47802 0.48837 -0.67019 -0.63489 24 3PZ -0.87746 2.04359 -1.23459 0.10346 -0.88007 25 4XX 0.02894 -0.02090 -0.01257 -0.00049 0.02032 26 4YY -0.01105 0.02741 -0.01771 -0.03657 0.00912 27 4ZZ -0.02050 -0.03483 0.04465 0.02681 0.02658 28 4XY 0.03161 -0.00481 0.00534 -0.06954 0.01827 29 4XZ -0.00057 0.02679 -0.00995 -0.03456 0.04272 30 4YZ -0.07042 0.02096 0.00361 0.04745 -0.04598 31 3 C 1S 0.00060 0.01290 0.01887 0.01044 0.01557 32 2S -0.13982 0.06881 -0.36463 -0.13148 -0.01543 33 2PX -0.02524 0.20290 0.00453 0.01539 -0.00099 34 2PY -0.21575 0.08421 -0.56231 -0.10780 -0.24440 35 2PZ 0.08256 -0.18601 0.22038 -0.06121 -0.01826 36 3S -0.17948 0.84696 0.34263 0.36001 -0.09805 37 3PX 0.09510 -0.71766 0.49750 -0.47057 -0.15640 38 3PY 0.76443 -0.45500 1.66229 0.42146 0.79135 39 3PZ -0.45376 1.62325 -1.10906 0.85650 0.22128 40 4XX -0.01890 0.01325 -0.02535 0.01860 -0.00328 41 4YY 0.00718 0.00985 0.06496 0.00379 0.03559 42 4ZZ -0.03122 0.01750 -0.07997 -0.03192 -0.03981 43 4XY -0.02639 0.00762 -0.02746 -0.00937 -0.00298 44 4XZ 0.02747 -0.03113 0.00578 -0.02198 -0.03275 45 4YZ 0.01746 -0.05796 0.04524 -0.03370 0.01636 46 4 C 1S 0.00604 -0.00289 -0.00263 -0.02600 -0.00463 47 2S -0.41349 0.17304 -0.01397 -0.02918 0.19091 48 2PX -0.10058 0.44451 0.05135 -0.05740 0.11025 49 2PY -0.10047 -0.11286 0.07045 0.01932 0.00360 50 2PZ 0.13686 0.23734 0.33654 -0.04394 0.11750 51 3S 0.72309 -0.21576 0.28231 0.75935 0.05604 52 3PX 0.09317 -1.51559 0.07470 -0.08465 -0.37038 53 3PY 0.05460 0.90288 -0.73499 0.30706 0.07318 54 3PZ -0.25191 -0.42194 -1.16496 0.19693 -0.21959 55 4XX 0.01077 -0.03544 -0.01370 -0.03492 -0.01974 56 4YY -0.07128 0.00134 0.00127 0.03682 0.03695 57 4ZZ -0.00712 0.05814 0.01595 -0.01893 0.02129 58 4XY 0.07038 -0.02946 0.02376 0.00855 0.00995 59 4XZ 0.00600 -0.02380 -0.02682 -0.03473 -0.04773 60 4YZ -0.00879 0.00299 -0.03634 0.05587 0.01266 61 5 C 1S 0.00605 0.00293 0.00255 -0.02600 -0.00462 62 2S -0.41352 -0.17260 0.01525 -0.02956 0.19078 63 2PX -0.10102 -0.44441 -0.05073 -0.05789 0.11014 64 2PY 0.10040 -0.11306 0.06992 -0.01986 -0.00356 65 2PZ 0.13587 -0.23771 -0.33676 -0.04311 0.11752 66 3S 0.72198 0.21379 -0.28298 0.76040 0.05619 67 3PX 0.09460 1.51569 -0.07602 -0.08192 -0.36986 68 3PY -0.05527 0.90384 -0.73486 -0.30259 -0.07324 69 3PZ -0.24945 0.42230 1.16609 0.19321 -0.21989 70 4XX 0.01082 0.03553 0.01351 -0.03490 -0.01971 71 4YY -0.07127 -0.00136 -0.00099 0.03679 0.03693 72 4ZZ -0.00720 -0.05813 -0.01587 -0.01898 0.02126 73 4XY -0.07031 -0.02939 0.02405 -0.00866 -0.00999 74 4XZ 0.00613 0.02390 0.02672 -0.03474 -0.04773 75 4YZ 0.00871 0.00301 -0.03645 -0.05579 -0.01267 76 6 C 1S 0.00051 -0.01292 -0.01884 0.01047 0.01556 77 2S -0.13871 -0.06857 0.36471 -0.13255 -0.01554 78 2PX -0.02545 -0.20301 -0.00437 0.01489 -0.00098 79 2PY 0.21400 0.08403 -0.56249 0.10915 0.24438 80 2PZ 0.08226 0.18593 -0.22059 -0.06035 -0.01832 81 3S -0.18131 -0.84698 -0.34140 0.35980 -0.09790 82 3PX 0.09492 0.71860 -0.49892 -0.46704 -0.15638 83 3PY -0.75946 -0.45424 1.66290 -0.42576 -0.79117 84 3PZ -0.45283 -1.62399 1.11170 0.85038 0.22120 85 4XX -0.01880 -0.01329 0.02547 0.01854 -0.00328 86 4YY 0.00693 -0.00987 -0.06496 0.00393 0.03558 87 4ZZ -0.03098 -0.01740 0.07995 -0.03215 -0.03981 88 4XY 0.02633 0.00759 -0.02751 0.00945 0.00298 89 4XZ 0.02747 0.03114 -0.00591 -0.02191 -0.03273 90 4YZ -0.01744 -0.05802 0.04541 0.03348 -0.01637 91 7 H 1S -0.26156 -0.04369 0.03378 0.31292 -0.18781 92 2S 0.83020 0.58257 -0.29002 -0.07890 1.15528 93 8 H 1S -0.26142 0.04347 -0.03223 0.31302 -0.18779 94 2S 0.82998 -0.58369 0.28742 -0.08059 1.15502 95 9 H 1S 0.12088 0.00794 0.34298 0.05361 0.27986 96 2S -0.58105 0.18673 -1.46285 -0.38640 -0.70961 97 10 H 1S 0.02947 0.17721 0.02043 -0.32005 -0.10487 98 2S -0.29219 -0.72299 -0.69402 0.23364 -0.16451 99 11 H 1S 0.02927 -0.17684 -0.02095 -0.32016 -0.10494 100 2S -0.29023 0.72333 0.69490 0.23233 -0.16453 101 12 H 1S 0.11970 -0.00808 -0.34313 0.05436 0.27988 102 2S -0.57640 -0.18591 1.46309 -0.39005 -0.70956 103 13 H 1S 0.29752 0.27494 0.11243 -0.21162 -0.12923 104 2S -0.47178 -1.08749 -0.31717 -0.02468 0.39391 105 14 H 1S 0.29715 -0.27468 -0.11420 -0.21170 -0.12929 106 2S -0.47044 1.08757 0.31947 -0.02411 0.39424 107 15 C 1S -0.00488 0.00325 -0.00748 0.00911 -0.00626 108 2S -0.39782 0.14954 -0.03089 -0.21415 0.36041 109 2PX 0.15053 -0.05266 -0.00003 -0.14326 0.00967 110 2PY -0.14628 0.11985 0.09809 -0.13289 0.16705 111 2PZ 0.23039 -0.23768 -0.21033 0.18815 -0.25260 112 3S 0.96562 -0.20320 0.52302 0.49862 -0.83108 113 3PX -0.19078 -0.11959 -0.26698 0.34804 -0.10349 114 3PY 0.39838 -0.54113 -0.67984 0.25440 -0.45293 115 3PZ -0.42950 0.83637 0.78722 -0.44480 0.59025 116 4XX -0.03897 0.01946 0.02130 -0.02177 0.02827 117 4YY -0.01883 0.02142 0.02187 -0.01306 0.01991 118 4ZZ -0.00335 0.00285 -0.02032 0.01898 0.00553 119 4XY 0.02736 -0.00254 -0.00116 0.04093 -0.04945 120 4XZ 0.00387 -0.00813 0.00971 -0.05605 0.00386 121 4YZ -0.05373 0.00738 0.01590 -0.01928 0.05179 122 16 C 1S -0.00486 -0.00327 0.00752 0.00908 -0.00627 123 2S -0.39788 -0.14880 0.03122 -0.21446 0.36033 124 2PX 0.15059 0.05276 -0.00077 -0.14320 0.00969 125 2PY 0.14648 0.11948 0.09804 0.13275 -0.16704 126 2PZ 0.23112 0.23727 0.21028 0.18783 -0.25254 127 3S 0.96454 0.20152 -0.52415 0.50028 -0.83118 128 3PX -0.19006 0.11926 0.26830 0.34766 -0.10324 129 3PY -0.40030 -0.54034 -0.67936 -0.25345 0.45261 130 3PZ -0.43225 -0.83538 -0.78729 -0.44359 0.58968 131 4XX -0.03903 -0.01939 -0.02121 -0.02172 0.02826 132 4YY -0.01889 -0.02138 -0.02188 -0.01304 0.01990 133 4ZZ -0.00332 -0.00288 0.02036 0.01889 0.00550 134 4XY -0.02736 -0.00245 -0.00120 -0.04091 0.04946 135 4XZ 0.00387 0.00821 -0.00987 -0.05601 0.00389 136 4YZ 0.05377 0.00729 0.01582 0.01924 -0.05180 137 17 C 1S 0.01453 0.00000 -0.00002 -0.00424 0.01180 138 2S -0.11948 0.00064 -0.00100 -0.79091 -0.10176 139 2PX 0.00887 -0.00017 0.00039 0.27492 0.06512 140 2PY 0.00003 0.00343 0.00626 0.00000 0.00001 141 2PZ -0.20251 0.00025 -0.00001 -0.15280 -0.02885 142 3S 0.14719 -0.00161 0.00278 2.08124 0.36073 143 3PX -0.20336 0.00016 -0.00010 -0.22266 0.15376 144 3PY -0.00012 0.00900 -0.06148 0.00011 -0.00004 145 3PZ 0.74312 -0.00052 -0.00063 0.09577 -0.05855 146 4XX 0.05555 -0.00001 -0.00009 -0.02243 -0.01674 147 4YY -0.05499 0.00005 0.00000 -0.03573 0.01911 148 4ZZ -0.00945 0.00001 0.00002 0.00222 0.02529 149 4XY 0.00001 0.01253 0.00059 0.00001 0.00000 150 4XZ -0.00038 0.00001 -0.00002 -0.01678 0.01502 151 4YZ -0.00002 -0.00490 -0.00417 0.00000 0.00000 152 18 O 1S -0.00654 0.00313 0.00205 -0.00256 0.00885 153 2S 0.06950 -0.01678 -0.01149 -0.22845 -0.02608 154 2PX -0.09038 -0.06254 -0.00430 -0.03056 0.07704 155 2PY 0.07777 -0.04267 -0.00151 -0.20602 -0.15534 156 2PZ -0.05071 -0.08808 -0.01989 -0.10015 0.08486 157 3S -0.08883 -0.10446 -0.19007 0.28785 -0.15947 158 3PX 0.06654 0.00262 -0.08741 0.16563 -0.13369 159 3PY -0.21605 0.11016 0.05482 0.26982 0.34760 160 3PZ 0.04560 0.05048 0.02655 0.06661 -0.12705 161 4XX -0.00982 -0.00640 -0.01096 -0.07680 -0.00310 162 4YY 0.06129 -0.00883 -0.01561 -0.06121 -0.03340 163 4ZZ 0.00612 -0.00318 0.01247 -0.09618 0.00742 164 4XY -0.01298 0.01412 0.02005 -0.03747 0.00435 165 4XZ 0.02070 -0.00268 0.01087 0.01819 -0.00748 166 4YZ -0.00496 0.00702 -0.00345 0.03304 -0.01022 167 19 H 1S 0.14600 -0.06563 -0.15912 0.16380 -0.22160 168 2S -0.76248 0.78446 0.70002 -0.68078 0.92347 169 20 H 1S 0.14635 0.06522 0.15919 0.16326 -0.22174 170 2S -0.76472 -0.78268 -0.69976 -0.67975 0.92315 171 21 H 1S 0.02030 -0.00017 0.00034 0.23785 0.18570 172 2S -0.53118 0.00088 -0.00059 -0.80008 -0.16617 173 22 O 1S -0.00655 -0.00312 -0.00204 -0.00256 0.00884 174 2S 0.06963 0.01709 0.01071 -0.22846 -0.02610 175 2PX -0.09028 0.06266 0.00441 -0.03043 0.07705 176 2PY -0.07786 -0.04296 -0.00079 0.20599 0.15532 177 2PZ -0.05054 0.08831 0.01974 -0.10000 0.08494 178 3S -0.08838 0.10410 0.19100 0.28746 -0.15923 179 3PX 0.06675 -0.00289 0.08769 0.16527 -0.13358 180 3PY 0.21634 0.11045 0.05356 -0.26981 -0.34751 181 3PZ 0.04546 -0.05060 -0.02647 0.06651 -0.12717 182 4XX -0.00977 0.00654 0.01075 -0.07684 -0.00311 183 4YY 0.06134 0.00887 0.01532 -0.06124 -0.03342 184 4ZZ 0.00613 0.00333 -0.01273 -0.09613 0.00742 185 4XY 0.01304 0.01405 0.02013 0.03743 -0.00435 186 4XZ 0.02066 0.00262 -0.01087 0.01822 -0.00749 187 4YZ 0.00497 0.00707 -0.00356 -0.03300 0.01022 188 23 H 1S 0.20548 -0.00021 0.00005 0.16760 0.05328 189 2S -0.04103 0.00042 -0.00091 -0.66470 -0.06496 101 102 103 104 105 V V V V V Eigenvalues -- 0.91950 0.95054 0.96227 0.97336 0.98562 1 1 C 1S -0.00330 -0.00178 -0.00184 -0.00021 0.01006 2 2S 0.29401 -0.23112 -0.13963 0.41415 0.47070 3 2PX 0.03952 0.13859 -0.05341 0.02774 0.07722 4 2PY -0.10514 0.12474 -0.19169 -0.22528 0.08755 5 2PZ 0.09016 -0.16178 -0.06445 -0.03413 0.06223 6 3S -0.45273 0.64591 0.56127 -1.29653 -2.00021 7 3PX -0.12659 -0.22391 -0.10715 -0.43691 0.07714 8 3PY -0.06241 -0.26526 1.00089 1.98238 -0.70318 9 3PZ -0.00044 0.25003 0.60273 1.16815 -0.52317 10 4XX 0.02940 -0.00715 -0.00573 0.01883 0.03155 11 4YY 0.04953 -0.02607 0.02120 0.03616 -0.00088 12 4ZZ -0.03564 0.00572 -0.02245 -0.00812 0.03680 13 4XY -0.03044 -0.01271 -0.01629 -0.00655 0.02415 14 4XZ 0.00679 -0.00226 0.02805 0.02085 -0.02836 15 4YZ 0.04626 -0.02891 0.00578 -0.00984 -0.03069 16 2 C 1S -0.00331 -0.00179 0.00184 0.00021 -0.01006 17 2S 0.29403 -0.23128 0.13971 -0.41422 -0.47078 18 2PX 0.03955 0.13849 0.05331 -0.02779 -0.07730 19 2PY 0.10525 -0.12458 -0.19162 -0.22526 0.08750 20 2PZ 0.09009 -0.16177 0.06450 0.03420 -0.06219 21 3S -0.45282 0.64661 -0.56168 1.29649 2.00113 22 3PX -0.12680 -0.22396 0.10742 0.43722 -0.07707 23 3PY 0.06191 0.26421 1.00055 1.98213 -0.70261 24 3PZ -0.00021 0.25040 -0.60290 -1.16843 0.52299 25 4XX 0.02941 -0.00715 0.00572 -0.01884 -0.03155 26 4YY 0.04952 -0.02604 -0.02119 -0.03617 0.00087 27 4ZZ -0.03565 0.00568 0.02247 0.00812 -0.03682 28 4XY 0.03045 0.01273 -0.01631 -0.00656 0.02417 29 4XZ 0.00678 -0.00223 -0.02804 -0.02084 0.02836 30 4YZ -0.04626 0.02891 0.00580 -0.00982 -0.03075 31 3 C 1S -0.00458 -0.00595 0.00521 -0.00839 -0.01181 32 2S 0.31120 -0.30342 0.01772 0.16814 -0.14229 33 2PX -0.04569 -0.04968 0.03405 0.02382 -0.00366 34 2PY 0.38736 -0.27628 -0.01878 0.18986 -0.04391 35 2PZ -0.07840 -0.00668 0.04955 0.27825 0.21090 36 3S -0.66445 0.84334 -0.48392 -1.70550 0.72789 37 3PX 0.17147 0.21614 -0.16196 0.24309 0.21434 38 3PY -0.80602 0.34751 0.13471 -0.27476 0.19055 39 3PZ -0.05373 -0.19706 -0.54748 -2.11708 -0.57373 40 4XX -0.00389 -0.03732 0.01880 0.07709 0.00587 41 4YY -0.02877 0.02238 0.00612 -0.01802 -0.05915 42 4ZZ 0.08430 -0.03673 -0.02271 -0.07327 0.02621 43 4XY 0.01545 -0.00402 -0.05136 -0.04802 0.02976 44 4XZ 0.01150 0.02588 -0.02627 0.02440 -0.00074 45 4YZ 0.01145 0.00129 -0.01510 -0.02648 0.02534 46 4 C 1S 0.01139 0.00822 -0.02506 0.00751 -0.00996 47 2S -0.21583 -0.39453 0.70401 -0.17489 0.18466 48 2PX -0.15068 -0.30684 0.20002 -0.04005 0.10956 49 2PY -0.00994 -0.19610 0.21210 0.01805 0.17251 50 2PZ -0.17897 0.19527 -0.25220 0.08234 -0.02692 51 3S 0.19533 0.80496 -1.64185 -0.02110 -0.49407 52 3PX 0.39671 0.58475 -0.11383 0.74179 -0.05489 53 3PY 0.03927 0.16837 -0.43271 -0.55881 -0.90877 54 3PZ 0.22457 -0.32067 0.75661 0.12928 -0.16174 55 4XX 0.03287 0.00025 -0.02847 -0.10917 0.03236 56 4YY -0.04096 -0.07183 0.04726 -0.00717 0.02120 57 4ZZ -0.01777 0.00943 0.04873 0.09480 -0.03788 58 4XY -0.00976 0.00397 -0.01983 -0.01476 -0.00559 59 4XZ 0.02101 0.03071 -0.06510 0.03669 0.00144 60 4YZ -0.03207 -0.06574 0.00838 -0.02975 0.01079 61 5 C 1S 0.01140 0.00822 0.02506 -0.00752 0.00997 62 2S -0.21576 -0.39456 -0.70439 0.17427 -0.18433 63 2PX -0.15064 -0.30677 -0.20024 0.03990 -0.10943 64 2PY 0.00990 0.19619 0.21221 0.01814 0.17246 65 2PZ -0.17914 0.19518 0.25209 -0.08231 0.02675 66 3S 0.19508 0.80504 1.64265 0.02254 0.49304 67 3PX 0.39654 0.58444 0.11422 -0.74156 0.05479 68 3PY -0.03926 -0.16850 -0.43307 -0.55922 -0.90847 69 3PZ 0.22548 -0.31998 -0.75638 -0.12919 0.16218 70 4XX 0.03283 0.00016 0.02842 0.10916 -0.03235 71 4YY -0.04094 -0.07180 -0.04730 0.00707 -0.02116 72 4ZZ -0.01775 0.00947 -0.04869 -0.09480 0.03789 73 4XY 0.00980 -0.00394 -0.01982 -0.01477 -0.00558 74 4XZ 0.02103 0.03072 0.06516 -0.03659 -0.00148 75 4YZ 0.03208 0.06578 0.00837 -0.02977 0.01081 76 6 C 1S -0.00459 -0.00595 -0.00522 0.00838 0.01182 77 2S 0.31144 -0.30322 -0.01784 -0.16816 0.14268 78 2PX -0.04568 -0.04959 -0.03403 -0.02375 0.00372 79 2PY -0.38746 0.27617 -0.01882 0.18979 -0.04410 80 2PZ -0.07824 -0.00667 -0.04955 -0.27830 -0.21080 81 3S -0.66548 0.84215 0.48411 1.70527 -0.72913 82 3PX 0.17126 0.21586 0.16178 -0.24361 -0.21425 83 3PY 0.80604 -0.34751 0.13471 -0.27441 0.19097 84 3PZ -0.05427 -0.19737 0.54762 2.11729 0.57291 85 4XX -0.00386 -0.03729 -0.01880 -0.07710 -0.00584 86 4YY -0.02879 0.02238 -0.00613 0.01803 0.05915 87 4ZZ 0.08430 -0.03675 0.02270 0.07325 -0.02619 88 4XY -0.01546 0.00406 -0.05137 -0.04802 0.02978 89 4XZ 0.01148 0.02588 0.02628 -0.02440 0.00074 90 4YZ -0.01143 -0.00126 -0.01509 -0.02647 0.02532 91 7 H 1S -0.28598 0.09430 -0.12563 -0.16341 0.17217 92 2S 0.34962 -0.49425 0.03160 0.39398 0.24616 93 8 H 1S -0.28599 0.09413 0.12565 0.16338 -0.17230 94 2S 0.34966 -0.49408 -0.03143 -0.39395 -0.24610 95 9 H 1S -0.29932 0.18712 0.04280 -0.08072 -0.08784 96 2S 0.93881 -0.59487 -0.14551 0.46006 0.00348 97 10 H 1S 0.10643 0.38345 -0.32168 0.45468 -0.25627 98 2S 0.05663 -0.74663 1.05334 -0.37211 0.51826 99 11 H 1S 0.10657 0.38373 0.32178 -0.45449 0.25622 100 2S 0.05692 -0.74678 -1.05355 0.37164 -0.51788 101 12 H 1S -0.29947 0.18701 -0.04289 0.08069 0.08777 102 2S 0.93911 -0.59465 0.14549 -0.46005 -0.00294 103 13 H 1S 0.15882 0.21090 0.54833 0.14277 0.07317 104 2S -0.47333 -0.66883 -0.93380 -0.00528 -0.35316 105 14 H 1S 0.15885 0.21101 -0.54821 -0.14261 -0.07320 106 2S -0.47342 -0.66924 0.93337 0.00471 0.35355 107 15 C 1S 0.00372 0.00229 0.00986 0.01328 -0.00076 108 2S 0.12432 0.24896 0.19008 -0.04735 -0.64337 109 2PX -0.09303 -0.14989 0.04026 0.05843 -0.02038 110 2PY 0.03898 0.07752 -0.07900 0.05723 0.05209 111 2PZ 0.04492 -0.06227 0.08630 0.00490 0.26748 112 3S -0.18111 -0.67158 -1.06259 0.19991 2.50932 113 3PX 0.15105 0.30241 0.07873 -0.63747 -0.40892 114 3PY -0.08798 -0.29788 0.66505 -0.29481 -0.62087 115 3PZ -0.02591 0.14308 -0.52804 0.19306 -0.72111 116 4XX 0.02839 0.00514 -0.00121 -0.01167 -0.00748 117 4YY -0.00143 0.00939 -0.00904 0.00976 0.00057 118 4ZZ 0.00309 0.00926 0.01372 0.01906 -0.02258 119 4XY -0.02312 0.01128 0.01149 0.00042 -0.00698 120 4XZ -0.02627 -0.01698 0.00275 0.01190 -0.01165 121 4YZ -0.01466 0.07991 -0.00316 -0.00798 -0.01047 122 16 C 1S 0.00373 0.00230 -0.00986 -0.01328 0.00076 123 2S 0.12436 0.24931 -0.19012 0.04745 0.64333 124 2PX -0.09301 -0.14985 -0.04027 -0.05851 0.02048 125 2PY -0.03901 -0.07757 -0.07901 0.05721 0.05215 126 2PZ 0.04497 -0.06241 -0.08636 -0.00478 -0.26747 127 3S -0.18089 -0.67272 1.06259 -0.20010 -2.50904 128 3PX 0.15074 0.30223 -0.07874 0.63761 0.40871 129 3PY 0.08830 0.29782 0.66508 -0.29467 -0.62113 130 3PZ -0.02578 0.14355 0.52815 -0.19325 0.72108 131 4XX 0.02838 0.00516 0.00120 0.01166 0.00750 132 4YY -0.00142 0.00941 0.00904 -0.00977 -0.00055 133 4ZZ 0.00311 0.00927 -0.01371 -0.01904 0.02255 134 4XY 0.02311 -0.01128 0.01147 0.00043 -0.00697 135 4XZ -0.02629 -0.01698 -0.00275 -0.01191 0.01165 136 4YZ 0.01467 -0.07992 -0.00317 -0.00800 -0.01043 137 17 C 1S -0.00175 -0.00920 0.00000 0.00000 0.00000 138 2S -0.63093 -0.22689 0.00004 -0.00008 0.00005 139 2PX 0.31104 0.18006 -0.00003 0.00007 -0.00004 140 2PY -0.00001 0.00003 -0.05359 -0.07030 0.10988 141 2PZ -0.09745 0.10631 0.00000 -0.00004 -0.00003 142 3S 1.69537 0.75665 -0.00009 0.00030 -0.00020 143 3PX -0.24946 -0.10210 0.00005 0.00000 -0.00002 144 3PY 0.00002 -0.00007 0.19170 0.09733 -0.42758 145 3PZ 0.02743 -0.62141 0.00000 0.00000 0.00015 146 4XX -0.03710 -0.07253 0.00001 -0.00003 0.00002 147 4YY -0.04328 0.02743 0.00001 0.00001 -0.00001 148 4ZZ 0.02587 0.02300 0.00000 0.00002 0.00000 149 4XY 0.00001 0.00002 -0.02464 -0.05418 0.03409 150 4XZ 0.00289 -0.00545 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 -0.00078 0.03219 0.04368 152 18 O 1S 0.00305 0.00299 -0.00211 0.00136 -0.00233 153 2S -0.08010 -0.08929 0.10173 0.19494 -0.21923 154 2PX 0.11496 0.02813 0.02001 -0.04358 -0.05871 155 2PY -0.15136 -0.10370 0.08881 0.23626 -0.06517 156 2PZ 0.04843 -0.02448 0.11098 -0.14208 -0.32026 157 3S 0.01617 0.16725 -0.02017 -0.54830 0.29803 158 3PX -0.06893 0.06704 0.10272 0.01620 -0.03466 159 3PY 0.27600 0.22110 -0.18413 -0.29828 0.15331 160 3PZ -0.05887 0.03357 -0.15978 0.23875 0.59661 161 4XX -0.03937 0.01360 0.04767 0.07274 -0.10713 162 4YY -0.02901 -0.06250 0.02844 0.02157 -0.07282 163 4ZZ -0.02125 -0.03374 0.02370 0.07957 -0.03740 164 4XY -0.02844 0.00123 -0.01336 0.00088 0.01077 165 4XZ -0.00958 -0.01251 -0.00891 0.01054 0.01988 166 4YZ 0.01981 0.01951 0.00567 0.00001 -0.00775 167 19 H 1S 0.01098 -0.15506 0.05330 0.17768 0.18509 168 2S 0.05130 0.57636 -0.43603 0.10205 -0.86985 169 20 H 1S 0.01115 -0.15510 -0.05330 -0.17765 -0.18505 170 2S 0.05133 0.57684 0.43604 -0.10203 0.86957 171 21 H 1S 0.30406 0.15577 -0.00002 0.00007 -0.00003 172 2S -0.72465 0.04704 0.00005 -0.00014 -0.00003 173 22 O 1S 0.00305 0.00299 0.00211 -0.00135 0.00233 174 2S -0.08005 -0.08912 -0.10174 -0.19497 0.21927 175 2PX 0.11495 0.02815 -0.02002 0.04362 0.05866 176 2PY 0.15132 0.10359 0.08882 0.23634 -0.06527 177 2PZ 0.04838 -0.02441 -0.11097 0.14201 0.32025 178 3S 0.01600 0.16691 0.02017 0.54838 -0.29809 179 3PX -0.06897 0.06702 -0.10272 -0.01619 0.03467 180 3PY -0.27601 -0.22095 -0.18417 -0.29843 0.15351 181 3PZ -0.05877 0.03343 0.15974 -0.23866 -0.59657 182 4XX -0.03934 0.01367 -0.04767 -0.07272 0.10711 183 4YY -0.02900 -0.06246 -0.02843 -0.02160 0.07284 184 4ZZ -0.02125 -0.03370 -0.02371 -0.07959 0.03743 185 4XY 0.02844 -0.00123 -0.01336 0.00088 0.01077 186 4XZ -0.00958 -0.01252 0.00892 -0.01055 -0.01987 187 4YZ -0.01981 -0.01952 0.00567 -0.00001 -0.00774 188 23 H 1S 0.18790 -0.03759 -0.00002 0.00002 0.00001 189 2S -0.64920 -0.38068 0.00006 -0.00006 0.00008 106 107 108 109 110 V V V V V Eigenvalues -- 1.01137 1.05342 1.07608 1.12044 1.12966 1 1 C 1S 0.01224 -0.01782 -0.00088 -0.01793 -0.01859 2 2S 0.25289 -0.46999 -0.26365 -0.57069 -0.57793 3 2PX -0.10735 0.18211 0.03434 -0.01030 -0.01588 4 2PY 0.17231 0.19594 -0.00222 0.03409 -0.08321 5 2PZ 0.16640 0.01381 0.00164 0.08452 0.13572 6 3S -0.94516 1.63471 1.27578 2.13213 1.07914 7 3PX 0.47113 -0.43270 0.22145 0.13401 0.18783 8 3PY -1.85575 -1.08487 -0.14353 -0.46731 0.22657 9 3PZ -1.14224 0.23168 -0.57130 -0.77171 -0.74505 10 4XX -0.01242 0.01703 -0.00576 0.01748 0.06979 11 4YY -0.01804 -0.01083 -0.00342 -0.08739 -0.09296 12 4ZZ 0.06832 -0.06250 0.00046 0.00407 -0.03706 13 4XY 0.00523 -0.08429 -0.00271 0.00981 0.08909 14 4XZ -0.02140 0.00018 0.01906 0.01583 -0.02456 15 4YZ 0.00000 0.00553 0.00299 0.06785 0.03628 16 2 C 1S -0.01224 -0.01782 0.00087 -0.01794 -0.01858 17 2S -0.25279 -0.47019 0.26340 -0.57079 -0.57801 18 2PX 0.10730 0.18206 -0.03424 -0.01029 -0.01571 19 2PY 0.17231 -0.19600 -0.00233 -0.03412 0.08307 20 2PZ -0.16640 0.01389 -0.00164 0.08453 0.13566 21 3S 0.94493 1.63548 -1.27499 2.13259 1.08102 22 3PX -0.47119 -0.43207 -0.22171 0.13320 0.18607 23 3PY -1.85573 1.08564 -0.14287 0.46766 -0.22642 24 3PZ 1.14231 0.23011 0.57148 -0.77038 -0.74246 25 4XX 0.01241 0.01706 0.00578 0.01742 0.06962 26 4YY 0.01804 -0.01086 0.00342 -0.08741 -0.09296 27 4ZZ -0.06831 -0.06251 -0.00050 0.00412 -0.03692 28 4XY 0.00523 0.08428 -0.00267 -0.00977 -0.08902 29 4XZ 0.02141 0.00013 -0.01907 0.01591 -0.02437 30 4YZ -0.00002 -0.00551 0.00299 -0.06791 -0.03642 31 3 C 1S -0.00565 -0.00336 -0.01649 0.00763 0.00630 32 2S -0.48257 -0.25501 -0.05862 0.61602 0.39160 33 2PX 0.10997 0.03874 -0.11558 -0.14480 -0.00060 34 2PY -0.04364 -0.00360 -0.04981 0.02585 0.04831 35 2PZ -0.08682 0.12297 -0.12828 0.13269 0.02114 36 3S 1.94291 0.18175 0.89637 -2.10226 -1.58248 37 3PX -0.27138 0.33438 -0.09988 0.46109 -0.15536 38 3PY 0.15697 -0.67641 -0.28467 0.42068 0.55354 39 3PZ 1.00315 -0.89515 0.71235 -1.01367 -0.01886 40 4XX 0.01340 -0.09731 -0.04949 0.03118 0.08607 41 4YY -0.08134 0.08020 0.01176 0.03446 -0.00405 42 4ZZ 0.02776 -0.01448 0.01839 -0.02000 -0.03866 43 4XY 0.02206 -0.03289 -0.01679 0.00424 -0.06984 44 4XZ 0.02106 0.03609 -0.00034 -0.03614 -0.01515 45 4YZ 0.00758 0.04068 -0.00558 -0.01066 -0.01078 46 4 C 1S -0.00786 0.00178 0.00037 0.00449 -0.00749 47 2S -0.10835 0.30129 -0.00408 0.02685 -0.13430 48 2PX -0.05112 0.13011 -0.00559 0.11845 0.08284 49 2PY 0.00831 0.01767 -0.04177 0.05593 0.02279 50 2PZ 0.03556 -0.17462 -0.06266 0.13871 0.18872 51 3S 0.60025 -1.23028 -0.09768 -0.30831 0.70870 52 3PX 0.08914 0.17937 -0.07234 -0.32758 -0.46337 53 3PY -0.06777 -0.11264 0.38078 -0.27658 0.07469 54 3PZ -0.25774 0.08648 0.09173 -0.17415 -0.23295 55 4XX 0.01775 0.03248 0.00950 0.00146 -0.04837 56 4YY -0.00182 0.04878 -0.00450 -0.00921 -0.02335 57 4ZZ -0.03094 -0.04381 -0.01453 0.01687 0.05299 58 4XY 0.00477 0.02492 0.00664 -0.01107 0.03053 59 4XZ 0.00639 -0.06072 -0.00506 0.01924 -0.02581 60 4YZ 0.01708 -0.09325 -0.00055 0.03606 0.06469 61 5 C 1S 0.00787 0.00179 -0.00038 0.00444 -0.00760 62 2S 0.10858 0.30122 0.00419 0.02625 -0.13569 63 2PX 0.05115 0.13018 0.00564 0.11816 0.08230 64 2PY 0.00831 -0.01759 -0.04175 -0.05591 -0.02274 65 2PZ -0.03545 -0.17455 0.06259 0.13881 0.18867 66 3S -0.60067 -1.23002 0.09729 -0.30605 0.71305 67 3PX -0.08924 0.17893 0.07244 -0.32601 -0.46019 68 3PY -0.06763 0.11212 0.38067 0.27662 -0.07598 69 3PZ 0.25756 0.08657 -0.09182 -0.17448 -0.23277 70 4XX -0.01775 0.03251 -0.00947 0.00132 -0.04864 71 4YY 0.00186 0.04882 0.00453 -0.00925 -0.02344 72 4ZZ 0.03095 -0.04388 0.01449 0.01695 0.05314 73 4XY 0.00477 -0.02495 0.00662 0.01107 -0.03061 74 4XZ -0.00641 -0.06070 0.00501 0.01924 -0.02583 75 4YZ 0.01707 0.09320 -0.00048 -0.03603 -0.06461 76 6 C 1S 0.00565 -0.00338 0.01649 0.00763 0.00630 77 2S 0.48256 -0.25498 0.05840 0.61519 0.39015 78 2PX -0.10997 0.03873 0.11564 -0.14468 -0.00032 79 2PY -0.04355 0.00380 -0.04976 -0.02612 -0.04923 80 2PZ 0.08685 0.12293 0.12837 0.13261 0.02092 81 3S -1.94276 0.18295 -0.89619 -2.10150 -1.58218 82 3PX 0.27153 0.33411 0.10000 0.46044 -0.15714 83 3PY 0.15656 0.67610 -0.28443 -0.42071 -0.55130 84 3PZ -1.00323 -0.89429 -0.71264 -1.01362 -0.01829 85 4XX -0.01337 -0.09735 0.04943 0.03128 0.08624 86 4YY 0.08132 0.08018 -0.01171 0.03437 -0.00417 87 4ZZ -0.02777 -0.01444 -0.01839 -0.02008 -0.03883 88 4XY 0.02206 0.03290 -0.01677 -0.00419 0.07000 89 4XZ -0.02108 0.03604 0.00037 -0.03603 -0.01487 90 4YZ 0.00757 -0.04070 -0.00561 0.01071 0.01087 91 7 H 1S 0.04800 -0.31576 0.05791 0.01509 0.12057 92 2S 0.16495 -0.57641 -0.00124 -0.07550 0.11735 93 8 H 1S -0.04795 -0.31548 -0.05808 0.01443 0.11942 94 2S -0.16471 -0.57622 0.00092 -0.07598 0.11641 95 9 H 1S -0.12897 0.35150 0.02072 -0.06637 -0.18993 96 2S -0.19436 -0.08068 -0.07438 0.23497 0.12569 97 10 H 1S -0.11744 -0.15204 -0.03951 0.04295 -0.02155 98 2S -0.05269 0.45548 0.05980 -0.12361 -0.38442 99 11 H 1S 0.11745 -0.15188 0.03937 0.04291 -0.02165 100 2S 0.05263 0.45512 -0.05960 -0.12421 -0.38567 101 12 H 1S 0.12898 0.35144 -0.02047 -0.06647 -0.18968 102 2S 0.19421 -0.08096 0.07423 0.23499 0.12666 103 13 H 1S -0.00976 -0.14384 -0.03364 0.06459 0.01627 104 2S 0.17982 0.22763 0.11812 0.28404 0.22137 105 14 H 1S 0.00976 -0.14394 0.03353 0.06503 0.01735 106 2S -0.17963 0.22762 -0.11804 0.28480 0.22314 107 15 C 1S -0.01205 0.01974 0.00240 -0.01327 0.01071 108 2S -0.49390 0.16881 0.42444 0.10531 0.37583 109 2PX -0.01264 -0.02776 0.16505 0.02643 0.09756 110 2PY -0.02552 -0.15420 -0.10222 0.06216 -0.04520 111 2PZ 0.01004 0.22998 0.07962 0.09283 0.07921 112 3S 0.69123 0.09723 -2.26590 -0.04092 -0.17903 113 3PX 0.42236 -0.08943 0.12849 -0.24028 -0.05865 114 3PY 0.10915 0.35111 1.61234 -0.25609 0.35465 115 3PZ -0.65451 -0.37860 -1.17940 0.03138 -0.13498 116 4XX -0.05500 0.03036 0.06581 -0.09512 0.00092 117 4YY -0.01493 0.03872 -0.01311 0.00415 0.05308 118 4ZZ -0.04769 -0.03892 -0.05620 0.06803 -0.02821 119 4XY 0.00480 -0.04592 -0.03776 -0.06911 -0.03418 120 4XZ 0.09752 0.00821 0.02852 -0.02212 -0.02328 121 4YZ 0.02187 -0.01036 0.03329 -0.02456 0.07045 122 16 C 1S 0.01204 0.01974 -0.00238 -0.01326 0.01073 123 2S 0.49383 0.16913 -0.42435 0.10470 0.37460 124 2PX 0.01264 -0.02768 -0.16509 0.02620 0.09698 125 2PY -0.02557 0.15417 -0.10211 -0.06251 0.04455 126 2PZ -0.01014 0.23003 -0.07954 0.09293 0.07949 127 3S -0.69121 0.09630 2.26596 -0.03808 -0.17508 128 3PX -0.42238 -0.08950 -0.12848 -0.23975 -0.05604 129 3PY 0.10921 -0.35148 1.61204 0.25811 -0.35180 130 3PZ 0.65469 -0.37909 1.17927 0.03050 -0.13868 131 4XX 0.05502 0.03041 -0.06579 -0.09505 0.00109 132 4YY 0.01491 0.03872 0.01314 0.00417 0.05308 133 4ZZ 0.04769 -0.03895 0.05618 0.06797 -0.02843 134 4XY 0.00480 0.04595 -0.03772 0.06910 0.03419 135 4XZ -0.09752 0.00820 -0.02851 -0.02210 -0.02317 136 4YZ 0.02187 0.01034 0.03330 0.02449 -0.07061 137 17 C 1S 0.00000 -0.00528 0.00000 0.05227 -0.05105 138 2S 0.00004 -0.08714 -0.00005 0.81684 -0.78706 139 2PX -0.00006 0.22102 0.00006 0.16848 0.10866 140 2PY -0.16927 0.00000 -0.12320 -0.00008 -0.00014 141 2PZ -0.00001 -0.07487 -0.00002 0.07347 0.00828 142 3S -0.00018 0.40751 0.00015 -1.40109 1.65204 143 3PX 0.00007 -0.15060 -0.00004 -0.15950 -0.25137 144 3PY 0.56983 -0.00002 0.52714 0.00020 0.00005 145 3PZ 0.00007 0.12867 0.00007 -0.58059 -0.19144 146 4XX 0.00001 -0.08736 -0.00002 0.02791 -0.20962 147 4YY 0.00000 0.02557 -0.00001 0.10911 -0.00400 148 4ZZ 0.00000 0.02362 0.00001 0.02929 0.03397 149 4XY -0.06240 -0.00002 0.05653 -0.00003 -0.00011 150 4XZ 0.00000 0.04287 0.00003 -0.07596 0.09124 151 4YZ -0.02622 -0.00006 0.19709 -0.00001 -0.00005 152 18 O 1S -0.01097 0.00403 0.00323 0.00411 0.00964 153 2S 0.21438 0.13376 0.26011 -0.02655 0.20343 154 2PX -0.08247 0.13834 -0.24241 -0.17342 0.12450 155 2PY 0.31267 -0.04458 0.12065 -0.28130 0.23690 156 2PZ 0.23546 0.04174 -0.32199 -0.12894 -0.05340 157 3S -0.27896 -0.21644 -0.26778 0.14047 -0.58814 158 3PX 0.35625 -0.13227 0.57868 0.22595 -0.11897 159 3PY -0.54155 -0.01229 -0.33992 0.45811 -0.36292 160 3PZ -0.39174 0.02055 0.40789 0.32212 0.16138 161 4XX 0.10173 0.05194 0.01139 0.00739 0.13837 162 4YY -0.00607 -0.00952 0.06244 0.02037 -0.06390 163 4ZZ 0.09346 0.06527 0.15921 -0.07766 0.11563 164 4XY 0.02735 0.03282 0.01445 0.04612 0.01554 165 4XZ 0.03500 -0.03605 -0.11673 -0.02195 -0.01762 166 4YZ -0.01416 0.00334 -0.02746 0.00959 -0.00054 167 19 H 1S -0.13627 0.12900 -0.39387 0.13666 -0.11531 168 2S -0.41721 -0.44706 -0.30524 -0.03885 0.04156 169 20 H 1S 0.13621 0.12874 0.39391 0.13634 -0.11646 170 2S 0.41737 -0.44687 0.30499 -0.03873 0.04118 171 21 H 1S -0.00002 0.09883 0.00002 0.20888 0.00223 172 2S 0.00005 -0.27760 -0.00007 0.53693 -0.38044 173 22 O 1S 0.01096 0.00403 -0.00323 0.00410 0.00961 174 2S -0.21440 0.13381 -0.26004 -0.02673 0.20301 175 2PX 0.08248 0.13823 0.24254 -0.17329 0.12459 176 2PY 0.31265 0.04459 0.12062 0.28160 -0.23626 177 2PZ -0.23545 0.04144 0.32212 -0.12905 -0.05352 178 3S 0.27898 -0.21641 0.26771 0.14123 -0.58572 179 3PX -0.35631 -0.13208 -0.57883 0.22587 -0.11836 180 3PY -0.54154 0.01230 -0.33981 -0.45872 0.36183 181 3PZ 0.39167 0.02097 -0.40808 0.32227 0.16131 182 4XX -0.10175 0.05190 -0.01137 0.00729 0.13811 183 4YY 0.00608 -0.00950 -0.06245 0.02034 -0.06400 184 4ZZ -0.09346 0.06533 -0.15917 -0.07771 0.11555 185 4XY 0.02737 -0.03281 0.01443 -0.04613 -0.01558 186 4XZ -0.03499 -0.03613 0.11671 -0.02199 -0.01778 187 4YZ -0.01414 -0.00333 -0.02743 -0.00961 0.00048 188 23 H 1S -0.00002 0.14572 0.00004 0.09495 -0.08855 189 2S 0.00010 -0.23303 -0.00009 0.08018 -0.55428 111 112 113 114 115 V V V V V Eigenvalues -- 1.14031 1.14809 1.19961 1.20298 1.25151 1 1 C 1S -0.00075 0.01034 -0.00788 -0.01089 0.00996 2 2S -0.11987 0.38182 -0.00252 -0.34129 0.07745 3 2PX 0.04012 -0.06514 -0.01295 -0.12724 0.09259 4 2PY 0.04156 -0.05384 0.03312 -0.07522 0.02307 5 2PZ -0.00589 0.00929 -0.02621 0.15351 -0.07790 6 3S 0.77018 -1.15514 0.17848 -0.03943 -0.64671 7 3PX -0.52527 -0.06359 -0.14192 0.26686 -0.17515 8 3PY -0.20997 0.16252 -0.29605 -0.73919 0.15689 9 3PZ 0.72258 0.39603 0.21529 -0.98483 0.52234 10 4XX -0.04346 -0.01565 -0.00081 0.03698 -0.03393 11 4YY -0.00518 0.04669 0.01641 -0.01089 0.04267 12 4ZZ 0.02906 0.01733 -0.03740 -0.06263 0.01595 13 4XY -0.02925 -0.05044 -0.01018 -0.01465 0.14152 14 4XZ 0.05653 -0.00733 -0.07817 -0.00976 -0.02799 15 4YZ 0.04880 -0.05238 0.00985 -0.03751 0.00602 16 2 C 1S 0.00069 0.01033 -0.00805 0.01077 0.00992 17 2S 0.11782 0.38151 -0.00763 0.34111 0.07647 18 2PX -0.04035 -0.06500 -0.01493 0.12722 0.09268 19 2PY 0.04201 0.05376 -0.03195 -0.07589 -0.02297 20 2PZ 0.00658 0.00920 -0.02386 -0.15398 -0.07785 21 3S -0.76641 -1.15330 0.17767 0.04256 -0.64547 22 3PX 0.52619 -0.06478 -0.13718 -0.26938 -0.17636 23 3PY -0.21124 -0.16237 0.30639 -0.73388 -0.15623 24 3PZ -0.72573 0.39802 0.19946 0.98869 0.52336 25 4XX 0.04368 -0.01572 -0.00021 -0.03705 -0.03388 26 4YY 0.00481 0.04668 0.01624 0.01116 0.04268 27 4ZZ -0.02908 0.01736 -0.03837 0.06210 0.01577 28 4XY -0.02954 0.05050 0.01036 -0.01460 -0.14148 29 4XZ -0.05651 -0.00722 -0.07838 0.00863 -0.02792 30 4YZ 0.04871 0.05227 -0.00923 -0.03766 -0.00604 31 3 C 1S 0.00035 -0.03050 0.00088 -0.01807 -0.02269 32 2S -0.48248 -0.55058 0.17896 -0.14672 -0.44891 33 2PX 0.09364 -0.03427 -0.12417 0.06262 0.09816 34 2PY 0.23637 0.11081 0.13245 -0.37683 -0.02445 35 2PZ -0.07279 0.00477 -0.05161 0.04301 0.00610 36 3S 0.30811 2.12384 -0.59729 1.70415 0.84844 37 3PX -0.57857 0.31797 0.06067 -0.53600 -0.73301 38 3PY -0.44709 -0.55839 -0.58467 1.78342 0.18439 39 3PZ 0.24967 -0.07909 0.14839 -0.07504 0.55805 40 4XX 0.05164 -0.02276 -0.10552 0.06200 -0.02828 41 4YY -0.04500 -0.03272 0.08776 -0.13529 -0.00645 42 4ZZ -0.04525 -0.00925 0.01601 0.02803 -0.03851 43 4XY -0.04818 0.02077 -0.06521 0.00023 0.01029 44 4XZ 0.07615 0.04116 0.01885 -0.07249 -0.04153 45 4YZ -0.02989 -0.00378 0.00249 -0.06605 -0.02947 46 4 C 1S -0.03029 0.02187 -0.02565 -0.01306 -0.04968 47 2S -0.35245 0.37233 -0.41225 -0.15322 -1.01069 48 2PX -0.15290 0.12475 0.10215 -0.16774 0.18928 49 2PY 0.00309 0.04697 0.01582 -0.05173 0.10149 50 2PZ -0.02807 -0.01104 -0.02798 0.01952 -0.03560 51 3S 1.22049 -1.52941 0.94497 1.47286 2.07733 52 3PX 0.84439 0.03149 -0.08336 0.71296 -0.42302 53 3PY 0.28586 -0.37154 0.32934 -1.10707 0.20784 54 3PZ 0.19080 -0.30358 -0.09834 0.40837 0.15181 55 4XX -0.08630 0.00669 0.00632 -0.07626 -0.05025 56 4YY -0.01136 0.03135 -0.03858 0.01697 -0.08256 57 4ZZ 0.04047 0.02221 -0.03387 0.04558 -0.02760 58 4XY 0.01960 0.07474 0.03787 -0.05560 -0.01023 59 4XZ 0.00163 0.01786 -0.08418 -0.00456 0.03983 60 4YZ -0.01184 -0.01894 -0.10170 0.04568 0.05638 61 5 C 1S 0.03032 0.02182 -0.02582 0.01262 -0.04970 62 2S 0.35280 0.37178 -0.41429 0.14584 -1.01072 63 2PX 0.15355 0.12450 0.09970 0.16932 0.18908 64 2PY 0.00288 -0.04701 -0.01504 -0.05201 -0.10143 65 2PZ 0.02909 -0.01101 -0.02771 -0.02008 -0.03541 66 3S -1.22102 -1.52765 0.96604 -1.45626 2.07915 67 3PX -0.84662 0.03284 -0.07292 -0.71385 -0.42238 68 3PY 0.28647 0.37096 -0.31248 -1.11242 -0.20640 69 3PZ -0.19280 -0.30389 -0.09191 -0.40905 0.15208 70 4XX 0.08613 0.00657 0.00526 0.07626 -0.05034 71 4YY 0.01133 0.03133 -0.03827 -0.01763 -0.08255 72 4ZZ -0.04020 0.02226 -0.03330 -0.04610 -0.02751 73 4XY 0.01944 -0.07479 -0.03706 -0.05618 0.01035 74 4XZ -0.00156 0.01789 -0.08423 0.00339 0.03983 75 4YZ -0.01219 0.01895 0.10100 0.04711 -0.05642 76 6 C 1S -0.00036 -0.03049 0.00062 0.01807 -0.02271 77 2S 0.48355 -0.55144 0.17727 0.14906 -0.44898 78 2PX -0.09376 -0.03415 -0.12332 -0.06439 0.09821 79 2PY 0.23609 -0.11131 -0.12662 -0.37879 0.02484 80 2PZ 0.07304 0.00467 -0.05083 -0.04364 0.00610 81 3S -0.31237 2.12408 -0.57213 -1.71287 0.84913 82 3PX 0.57891 0.31749 0.05317 0.53629 -0.73382 83 3PY -0.44914 0.55942 0.55780 1.79232 -0.18707 84 3PZ -0.25059 -0.07883 0.14669 0.07694 0.55759 85 4XX -0.05125 -0.02269 -0.10463 -0.06361 -0.02818 86 4YY 0.04494 -0.03276 0.08579 0.13664 -0.00661 87 4ZZ 0.04502 -0.00933 0.01647 -0.02786 -0.03850 88 4XY -0.04805 -0.02071 0.06516 0.00121 -0.01033 89 4XZ -0.07624 0.04131 0.01766 0.07269 -0.04163 90 4YZ -0.02982 0.00381 -0.00154 -0.06608 0.02959 91 7 H 1S -0.36970 -0.07043 -0.13183 0.06482 -0.01846 92 2S -0.32710 0.13710 -0.18813 0.21477 -0.26561 93 8 H 1S 0.37017 -0.07121 -0.13039 -0.06700 -0.01899 94 2S 0.32802 0.13621 -0.18442 -0.21818 -0.26634 95 9 H 1S 0.02262 -0.10228 0.11898 -0.54152 -0.11307 96 2S 0.16302 0.03426 0.28512 -0.85051 -0.30852 97 10 H 1S -0.00732 0.05984 -0.11971 0.16832 -0.16700 98 2S -0.29500 0.16200 -0.32697 0.08769 -0.35633 99 11 H 1S 0.00741 0.05972 -0.11711 -0.17021 -0.16684 100 2S 0.29362 0.16134 -0.32524 -0.09280 -0.35626 101 12 H 1S -0.02357 -0.10214 0.11089 0.54336 -0.11383 102 2S -0.16248 0.03469 0.27237 0.85459 -0.30965 103 13 H 1S 0.29807 0.06873 -0.17936 0.11310 -0.17681 104 2S 0.48477 0.29160 -0.07082 0.24649 -0.14674 105 14 H 1S -0.29773 0.06915 -0.17775 -0.11604 -0.17670 106 2S -0.48292 0.29234 -0.06738 -0.24807 -0.14656 107 15 C 1S 0.00520 0.01873 0.00862 0.00231 0.01887 108 2S -0.36848 0.18788 0.42526 0.15642 0.48320 109 2PX -0.17538 0.01033 0.16541 0.06157 0.21600 110 2PY 0.20091 -0.00345 -0.02046 0.12772 0.09727 111 2PZ 0.08644 0.00369 -0.07595 0.13079 -0.01916 112 3S 1.25881 0.01713 -1.11919 0.59633 -0.81009 113 3PX 0.78852 -0.43542 0.21834 -0.25278 -0.69419 114 3PY -0.93619 0.09727 0.00556 -0.78035 -0.39606 115 3PZ -1.11290 0.10346 -0.26231 -0.28820 0.27103 116 4XX 0.04987 0.04581 0.02223 0.01387 0.10486 117 4YY -0.00064 0.00136 0.08769 0.00952 0.00861 118 4ZZ -0.06030 0.03087 -0.11429 0.00999 -0.03685 119 4XY -0.00083 0.06565 0.11772 0.02318 -0.03182 120 4XZ 0.03227 -0.00408 -0.05347 -0.05210 0.01883 121 4YZ 0.05463 0.11562 -0.00901 0.02835 -0.08203 122 16 C 1S -0.00516 0.01874 0.00864 -0.00216 0.01885 123 2S 0.36985 0.18708 0.42768 -0.14962 0.48319 124 2PX 0.17558 0.01003 0.16642 -0.05896 0.21615 125 2PY 0.20098 0.00315 0.01868 0.12793 -0.09735 126 2PZ -0.08598 0.00370 -0.07401 -0.13183 -0.01918 127 3S -1.25870 0.01981 -1.11044 -0.61394 -0.80838 128 3PX -0.78976 -0.43445 0.21415 0.25560 -0.69522 129 3PY -0.93714 -0.09550 0.00576 -0.77981 0.39752 130 3PZ 1.11281 0.10243 -0.26596 0.28426 0.27165 131 4XX -0.04999 0.04586 0.02238 -0.01347 0.10475 132 4YY 0.00076 0.00136 0.08782 -0.00819 0.00862 133 4ZZ 0.06045 0.03080 -0.11410 -0.01174 -0.03674 134 4XY -0.00063 -0.06565 -0.11805 0.02147 0.03178 135 4XZ -0.03237 -0.00400 -0.05427 0.05130 0.01880 136 4YZ 0.05422 -0.11569 0.00864 0.02860 0.08201 137 17 C 1S -0.00003 0.00542 -0.03742 -0.00026 0.03728 138 2S -0.00051 0.08128 -0.59464 -0.00409 0.59572 139 2PX 0.00038 0.04538 -0.08254 -0.00059 -0.02474 140 2PY 0.08543 -0.00006 -0.00039 0.05378 -0.00002 141 2PZ -0.00001 -0.04802 0.14546 0.00106 -0.07804 142 3S 0.00119 -0.28557 1.69033 0.01194 -1.71838 143 3PX -0.00056 -0.17377 -0.16514 -0.00117 -0.00828 144 3PY -0.01218 0.00006 0.00218 -0.28583 -0.00004 145 3PZ -0.00098 -0.44333 -0.52633 -0.00377 0.40219 146 4XX -0.00046 -0.12846 0.07253 0.00060 0.05275 147 4YY 0.00012 0.02212 -0.06307 -0.00047 -0.03785 148 4ZZ 0.00017 0.09977 -0.04297 -0.00032 0.04175 149 4XY 0.06628 -0.00003 0.00012 -0.01343 0.00001 150 4XZ 0.00011 -0.03798 -0.13927 -0.00106 -0.00379 151 4YZ 0.02374 0.00000 0.00003 -0.00202 0.00004 152 18 O 1S -0.00889 0.01451 -0.01742 0.00141 -0.00472 153 2S -0.11291 0.20085 -0.30361 0.05779 0.07002 154 2PX 0.03321 -0.04174 -0.34035 0.15244 0.16412 155 2PY -0.19427 0.02509 0.05016 -0.05727 -0.05318 156 2PZ -0.02599 -0.47683 -0.02068 -0.03042 -0.05148 157 3S 0.70506 -0.59155 0.72157 0.03498 0.08850 158 3PX 0.18217 -0.04954 0.88353 -0.26740 -0.39524 159 3PY 0.34209 0.01277 -0.08020 0.17270 0.05088 160 3PZ -0.03479 0.90238 -0.09745 0.13653 0.15838 161 4XX -0.07083 0.10881 -0.14010 0.02671 -0.05593 162 4YY -0.02414 0.02566 -0.03910 0.02686 0.05009 163 4ZZ -0.02266 0.04178 -0.07885 -0.01927 0.02725 164 4XY 0.01233 0.05387 -0.00778 -0.02309 -0.00483 165 4XZ -0.04927 -0.00473 0.04121 -0.03514 -0.03438 166 4YZ 0.01645 0.09882 0.05292 0.03926 0.03917 167 19 H 1S -0.34207 0.03398 -0.17981 -0.04007 0.08902 168 2S -0.10144 0.12905 0.29779 0.13833 0.52844 169 20 H 1S 0.34207 0.03359 -0.18020 0.03754 0.08921 170 2S 0.10160 0.12912 0.29981 -0.13353 0.52887 171 21 H 1S 0.00035 0.20218 -0.14662 -0.00107 0.08973 172 2S -0.00023 -0.00213 -0.04625 -0.00027 0.07215 173 22 O 1S 0.00897 0.01449 -0.01740 -0.00168 -0.00470 174 2S 0.11409 0.20063 -0.30277 -0.06232 0.07021 175 2PX -0.03291 -0.04170 -0.33808 -0.15740 0.16406 176 2PY -0.19462 -0.02482 -0.04938 -0.05780 0.05319 177 2PZ 0.02487 -0.47689 -0.02111 0.03019 -0.05162 178 3S -0.70837 -0.59065 0.72184 -0.02386 0.08762 179 3PX -0.18281 -0.04937 0.87938 0.28046 -0.39528 180 3PY 0.34241 -0.01330 0.07776 0.17353 -0.05112 181 3PZ 0.03726 0.90236 -0.09539 -0.13810 0.15868 182 4XX 0.07160 0.10872 -0.13969 -0.02890 -0.05578 183 4YY 0.02402 0.02561 -0.03871 -0.02738 0.05015 184 4ZZ 0.02304 0.04172 -0.07915 0.01809 0.02722 185 4XY 0.01211 -0.05390 0.00813 -0.02298 0.00482 186 4XZ 0.04915 -0.00475 0.04073 0.03569 -0.03434 187 4YZ 0.01632 -0.09885 -0.05348 0.03844 -0.03923 188 23 H 1S -0.00006 -0.07457 -0.30368 -0.00217 0.18728 189 2S -0.00076 0.00473 -0.38843 -0.00272 0.39053 116 117 118 119 120 V V V V V Eigenvalues -- 1.28994 1.31434 1.32930 1.39993 1.41504 1 1 C 1S 0.03122 0.02917 0.00905 -0.00358 0.04953 2 2S 0.67458 0.56034 0.32253 0.03730 0.90295 3 2PX -0.18866 -0.05130 -0.03609 0.05433 0.12239 4 2PY 0.03631 -0.05318 0.07040 0.06915 -0.02592 5 2PZ 0.04533 -0.00441 -0.09304 0.00742 -0.07051 6 3S -1.60428 -2.59778 -0.33293 0.51139 -5.14070 7 3PX 1.06470 0.20820 -0.00260 -0.16867 -1.04408 8 3PY 0.11333 0.12546 -0.20105 -0.53512 -2.77057 9 3PZ -1.10824 0.29066 0.31167 0.09046 2.23196 10 4XX -0.05955 0.00903 -0.14618 -0.06638 -0.11372 11 4YY 0.01022 0.01266 0.05376 -0.02261 -0.01072 12 4ZZ 0.11237 0.03834 0.07475 0.10889 0.15339 13 4XY -0.00803 -0.00971 -0.00613 0.10968 -0.02326 14 4XZ -0.04928 -0.01269 0.05170 0.19398 0.16039 15 4YZ -0.04937 -0.04438 0.02245 0.00902 -0.02002 16 2 C 1S -0.03124 -0.02917 0.00911 -0.00348 -0.04953 17 2S -0.67481 -0.56000 0.32371 0.03902 -0.90281 18 2PX 0.18858 0.05123 -0.03619 0.05449 -0.12237 19 2PY 0.03627 -0.05330 -0.07035 -0.06908 -0.02598 20 2PZ -0.04525 0.00431 -0.09307 0.00733 0.07040 21 3S 1.60526 2.59782 -0.33815 0.50132 5.14150 22 3PX -1.06452 -0.20823 -0.00240 -0.17033 1.04353 23 3PY 0.11391 0.12606 0.20155 0.54008 -2.77050 24 3PZ 1.10767 -0.29029 0.31266 0.09445 -2.23170 25 4XX 0.05959 -0.00921 -0.14621 -0.06658 0.11372 26 4YY -0.01029 -0.01262 0.05378 -0.02261 0.01068 27 4ZZ -0.11239 -0.03824 0.07487 0.10915 -0.15333 28 4XY -0.00789 -0.00974 0.00621 -0.10960 -0.02357 29 4XZ 0.04929 0.01278 0.05170 0.19426 -0.16025 30 4YZ -0.04939 -0.04442 -0.02239 -0.00897 -0.02020 31 3 C 1S 0.00268 -0.00521 0.01337 0.00486 -0.00686 32 2S 0.03749 0.26600 0.15204 0.06308 0.12618 33 2PX 0.00601 -0.11111 -0.03419 -0.01704 -0.01394 34 2PY 0.04646 -0.05512 -0.02074 0.03434 -0.07728 35 2PZ 0.03084 0.07824 -0.00740 0.02842 -0.19218 36 3S 0.03067 -0.98512 -0.49502 -0.11315 -2.03428 37 3PX 0.15797 0.18265 -0.03433 0.40258 -0.52240 38 3PY -0.85765 0.43104 -0.16370 -0.50572 1.92279 39 3PZ -0.02264 -0.94160 0.22035 -0.51249 0.42029 40 4XX 0.02096 0.00188 -0.06972 0.17010 -0.03986 41 4YY 0.03076 -0.01262 0.03479 0.02009 -0.10291 42 4ZZ -0.03156 -0.01540 0.02082 -0.18132 0.09062 43 4XY -0.07061 -0.04526 0.09549 0.10149 -0.21604 44 4XZ 0.01304 -0.04334 -0.06414 -0.11999 0.06573 45 4YZ 0.02542 -0.02127 -0.02056 -0.05699 0.04069 46 4 C 1S -0.00226 -0.01045 -0.02369 0.01803 -0.01163 47 2S -0.15616 -0.22402 -0.47516 0.19956 -0.13351 48 2PX -0.01338 -0.05942 0.04671 -0.11349 0.05479 49 2PY -0.01828 0.01184 0.04040 -0.04615 0.00472 50 2PZ -0.13751 -0.03553 -0.06036 -0.09428 0.16667 51 3S -0.07668 0.78968 0.98375 -0.80179 1.66443 52 3PX 0.34055 0.60452 -0.12123 0.40366 -1.03476 53 3PY 0.33650 -0.56125 0.15512 -0.11235 -0.09483 54 3PZ 0.32124 0.25659 0.20544 0.07694 -0.34432 55 4XX -0.05255 -0.05313 0.02884 -0.14515 0.08965 56 4YY -0.01895 -0.00317 -0.02690 0.03320 -0.00985 57 4ZZ 0.04483 0.04353 -0.05760 0.12908 -0.07444 58 4XY 0.03368 -0.02322 -0.08174 0.06346 -0.02822 59 4XZ -0.02052 -0.01872 0.06614 0.05465 -0.08537 60 4YZ -0.01581 -0.00515 0.02224 0.16989 -0.04768 61 5 C 1S 0.00229 0.01043 -0.02369 0.01803 0.01166 62 2S 0.15693 0.22347 -0.47535 0.19967 0.13389 63 2PX 0.01323 0.05943 0.04662 -0.11344 -0.05500 64 2PY -0.01814 0.01183 -0.04044 0.04608 0.00472 65 2PZ 0.13759 0.03544 -0.06040 -0.09403 -0.16677 66 3S 0.07520 -0.78853 0.98447 -0.79990 -1.66552 67 3PX -0.34027 -0.60443 -0.12046 0.40233 1.03521 68 3PY 0.33640 -0.56168 -0.15433 0.11304 -0.09433 69 3PZ -0.32169 -0.25627 0.20585 0.07647 0.34483 70 4XX 0.05260 0.05310 0.02872 -0.14503 -0.08991 71 4YY 0.01901 0.00313 -0.02690 0.03309 0.00992 72 4ZZ -0.04482 -0.04352 -0.05747 0.12912 0.07461 73 4XY 0.03371 -0.02317 0.08180 -0.06334 -0.02816 74 4XZ 0.02050 0.01883 0.06611 0.05448 0.08541 75 4YZ -0.01574 -0.00527 -0.02222 -0.16981 -0.04791 76 6 C 1S -0.00265 0.00524 0.01336 0.00483 0.00690 77 2S -0.03701 -0.26565 0.15226 0.06323 -0.12583 78 2PX -0.00611 0.11107 -0.03432 -0.01705 0.01388 79 2PY 0.04642 -0.05522 0.02081 -0.03409 -0.07712 80 2PZ -0.03084 -0.07821 -0.00735 0.02811 0.19217 81 3S -0.03199 0.98377 -0.49654 -0.11619 2.03353 82 3PX -0.15732 -0.18258 -0.03412 0.40194 0.52335 83 3PY -0.85732 0.43195 0.16295 0.50166 1.92256 84 3PZ 0.02227 0.94163 0.21890 -0.51248 -0.42114 85 4XX -0.02096 -0.00192 -0.06967 0.17007 0.04008 86 4YY -0.03070 0.01270 0.03476 0.01990 0.10288 87 4ZZ 0.03158 0.01537 0.02076 -0.18120 -0.09079 88 4XY -0.07060 -0.04535 -0.09537 -0.10115 -0.21613 89 4XZ -0.01301 0.04324 -0.06418 -0.11983 -0.06584 90 4YZ 0.02541 -0.02123 0.02059 0.05692 0.04077 91 7 H 1S 0.44762 0.19496 -0.05031 -0.14859 -0.38545 92 2S 0.73963 0.30695 -0.06960 -0.15431 -0.72781 93 8 H 1S -0.44764 -0.19514 -0.05011 -0.14924 0.38542 94 2S -0.73944 -0.30711 -0.06930 -0.15549 0.72767 95 9 H 1S 0.23833 -0.03885 0.16171 0.15273 -0.25615 96 2S 0.29089 0.01280 0.04407 0.21597 -0.48491 97 10 H 1S 0.02936 0.07094 -0.08851 0.10214 -0.19924 98 2S 0.03008 -0.04843 -0.03601 0.18976 -0.32890 99 11 H 1S -0.02929 -0.07102 -0.08836 0.10194 0.19949 100 2S -0.02995 0.04833 -0.03603 0.18942 0.32929 101 12 H 1S -0.23813 0.03920 0.16164 0.15212 0.25642 102 2S -0.29055 -0.01240 0.04402 0.21485 0.48488 103 13 H 1S 0.08428 0.14701 -0.10338 0.09543 -0.10431 104 2S 0.22173 0.20746 -0.16683 -0.15157 -0.24709 105 14 H 1S -0.08416 -0.14717 -0.10324 0.09522 0.10451 106 2S -0.22157 -0.20772 -0.16654 -0.15205 0.24688 107 15 C 1S 0.02560 -0.00963 -0.00971 -0.00082 0.01110 108 2S 0.35311 0.21652 -0.22809 -0.05541 0.43032 109 2PX -0.03964 0.04213 -0.06775 -0.08536 0.15568 110 2PY 0.01665 -0.00719 -0.03189 -0.04344 0.06697 111 2PZ 0.11232 0.13150 -0.11018 0.07877 0.05169 112 3S -1.90013 -0.80083 0.30435 0.12120 -1.17117 113 3PX 0.59354 0.81465 -0.07585 0.22863 -0.18350 114 3PY 1.30728 -0.56758 0.00434 0.15220 0.37659 115 3PZ -0.68210 -1.35445 0.26720 -0.21956 -0.27988 116 4XX 0.12539 -0.07938 -0.15441 0.20377 -0.06881 117 4YY -0.01031 0.00535 0.00756 0.02284 -0.01302 118 4ZZ -0.09124 0.00644 0.08741 -0.24579 0.07998 119 4XY -0.02494 0.01101 -0.24793 -0.05558 -0.02260 120 4XZ -0.04599 0.02134 0.11903 0.01127 -0.06146 121 4YZ -0.00476 0.00069 -0.02439 -0.07455 -0.00735 122 16 C 1S -0.02562 0.00962 -0.00970 -0.00081 -0.01113 123 2S -0.35352 -0.21684 -0.22750 -0.05473 -0.43078 124 2PX 0.03946 -0.04226 -0.06764 -0.08511 -0.15597 125 2PY 0.01678 -0.00708 0.03187 0.04327 0.06699 126 2PZ -0.11233 -0.13164 -0.10993 0.07894 -0.05172 127 3S 1.90060 0.80114 0.30230 0.11971 1.17232 128 3PX -0.59275 -0.81435 -0.07485 0.22849 0.18367 129 3PY 1.30688 -0.56786 -0.00412 -0.15226 0.37624 130 3PZ 0.68181 1.35450 0.26516 -0.22055 0.28003 131 4XX -0.12555 0.07919 -0.15447 0.20364 0.06932 132 4YY 0.01033 -0.00532 0.00757 0.02281 0.01299 133 4ZZ 0.09129 -0.00637 0.08741 -0.24564 -0.08046 134 4XY -0.02484 0.01128 0.24793 0.05560 -0.02213 135 4XZ 0.04601 -0.02120 0.11903 0.01119 0.06162 136 4YZ -0.00480 0.00071 0.02440 0.07456 -0.00697 137 17 C 1S -0.00003 -0.00003 -0.02260 -0.01888 0.00000 138 2S -0.00048 -0.00045 -0.45061 -0.20965 0.00005 139 2PX -0.00002 0.00004 0.11654 0.01166 0.00003 140 2PY -0.06271 0.20302 -0.00013 -0.00003 -0.01400 141 2PZ 0.00002 0.00001 0.00346 0.00145 0.00002 142 3S 0.00121 0.00132 1.47686 0.84519 -0.00009 143 3PX 0.00003 -0.00001 -0.16336 0.00651 -0.00026 144 3PY -0.55108 1.22131 -0.00065 0.00006 -0.18472 145 3PZ -0.00014 -0.00014 -0.36952 -0.17732 -0.00037 146 4XX -0.00006 -0.00013 -0.23544 0.00770 -0.00005 147 4YY 0.00003 0.00010 0.17128 -0.04013 -0.00004 148 4ZZ -0.00001 -0.00001 0.03096 0.03389 0.00010 149 4XY -0.03076 0.13708 -0.00009 0.00002 -0.02983 150 4XZ 0.00006 0.00010 0.13759 -0.10838 -0.00010 151 4YZ 0.13767 -0.16034 0.00005 0.00002 0.02506 152 18 O 1S -0.01584 0.00321 0.02312 0.00412 -0.00569 153 2S -0.08178 0.05109 0.16119 0.02980 -0.03189 154 2PX 0.29663 -0.40131 -0.13368 -0.09179 0.05703 155 2PY 0.01078 -0.20431 0.03480 0.00219 0.00037 156 2PZ 0.07491 0.22286 -0.06909 -0.01143 -0.00991 157 3S 0.80776 0.24985 -0.83346 -0.12459 0.28150 158 3PX -0.53721 1.42083 0.30762 0.27719 -0.10522 159 3PY -0.26327 0.57062 0.09535 0.04471 -0.07883 160 3PZ -0.05341 -0.70414 0.10838 0.08994 0.02603 161 4XX -0.09904 0.02116 0.20347 -0.15981 0.04800 162 4YY -0.03527 0.10551 -0.14808 0.01982 -0.02456 163 4ZZ 0.03095 -0.08113 0.14101 0.16709 -0.06179 164 4XY -0.07199 0.05425 0.10629 0.07790 -0.06232 165 4XZ -0.09994 -0.01039 0.03846 -0.05981 -0.01879 166 4YZ -0.03438 0.00582 -0.09222 0.11415 -0.03422 167 19 H 1S -0.19146 -0.11259 0.10681 -0.01367 -0.02723 168 2S -0.28938 -0.20103 0.01929 -0.17473 -0.02208 169 20 H 1S 0.19138 0.11263 0.10664 -0.01376 0.02717 170 2S 0.28892 0.20093 0.01893 -0.17487 0.02188 171 21 H 1S -0.00008 -0.00005 -0.00085 -0.07501 0.00004 172 2S -0.00012 -0.00014 -0.13067 -0.10672 0.00007 173 22 O 1S 0.01584 -0.00319 0.02312 0.00411 0.00571 174 2S 0.08160 -0.05104 0.16131 0.02975 0.03200 175 2PX -0.29681 0.40111 -0.13404 -0.09175 -0.05715 176 2PY 0.01065 -0.20443 -0.03451 -0.00211 0.00033 177 2PZ -0.07473 -0.22283 -0.06880 -0.01141 0.00969 178 3S -0.80762 -0.25050 -0.83300 -0.12399 -0.28195 179 3PX 0.53773 -1.42027 0.30917 0.27729 0.10532 180 3PY -0.26306 0.57066 -0.09607 -0.04482 -0.07874 181 3PZ 0.05292 0.70396 0.10750 0.08988 -0.02521 182 4XX 0.09910 -0.02096 0.20347 -0.15972 -0.04838 183 4YY 0.03509 -0.10575 -0.14792 0.01983 0.02455 184 4ZZ -0.03092 0.08129 0.14094 0.16691 0.06230 185 4XY -0.07201 0.05415 -0.10633 -0.07780 -0.06254 186 4XZ 0.10001 0.01047 0.03836 -0.05985 0.01864 187 4YZ -0.03426 0.00595 0.09222 -0.11414 -0.03451 188 23 H 1S -0.00014 -0.00014 -0.15784 -0.12180 -0.00008 189 2S -0.00023 -0.00029 -0.42757 -0.09754 -0.00009 121 122 123 124 125 V V V V V Eigenvalues -- 1.44140 1.46297 1.48673 1.53314 1.56380 1 1 C 1S -0.00266 0.00162 -0.00073 0.00376 -0.00229 2 2S -0.00512 -0.17447 -0.16632 -0.13233 0.11668 3 2PX 0.07813 -0.07065 0.03902 0.04428 -0.05903 4 2PY 0.04395 -0.08793 -0.00473 -0.07033 0.02259 5 2PZ 0.03092 0.13658 0.06153 0.19855 -0.01890 6 3S 0.38113 -0.40529 0.87321 -0.51805 0.51331 7 3PX -0.17755 0.07246 0.38966 0.20626 0.36214 8 3PY -0.41851 0.51532 0.28544 0.59065 0.27505 9 3PZ 0.15151 -0.20470 -0.87073 -0.27048 -0.38474 10 4XX -0.14199 -0.03456 -0.01585 -0.09024 -0.08188 11 4YY 0.01132 0.00712 -0.00375 -0.06487 -0.00012 12 4ZZ 0.14468 0.02643 0.04310 0.18491 0.05797 13 4XY 0.04855 0.24118 0.02032 -0.40930 0.02200 14 4XZ 0.18513 0.06337 0.10518 0.04778 -0.03198 15 4YZ -0.05617 0.00895 -0.02367 -0.26787 0.01044 16 2 C 1S -0.00272 0.00162 0.00073 0.00375 0.00229 17 2S -0.00615 -0.17442 0.16632 -0.13252 -0.11660 18 2PX 0.07798 -0.07062 -0.03905 0.04429 0.05908 19 2PY -0.04397 0.08794 -0.00474 0.07033 0.02249 20 2PZ 0.03101 0.13650 -0.06153 0.19852 0.01879 21 3S 0.38683 -0.40508 -0.87313 -0.51731 -0.51276 22 3PX -0.17633 0.07215 -0.38960 0.20593 -0.36233 23 3PY 0.41538 -0.51485 0.28573 -0.59123 0.27572 24 3PZ 0.14898 -0.20444 0.87073 -0.27013 0.38483 25 4XX -0.14186 -0.03462 0.01589 -0.09005 0.08190 26 4YY 0.01136 0.00718 0.00373 -0.06489 0.00010 27 4ZZ 0.14448 0.02642 -0.04312 0.18473 -0.05797 28 4XY -0.04852 -0.24115 0.02032 0.40936 0.02180 29 4XZ 0.18498 0.06338 -0.10522 0.04768 0.03206 30 4YZ 0.05614 -0.00898 -0.02365 0.26786 0.01027 31 3 C 1S -0.01077 -0.04231 -0.00029 -0.01461 -0.02188 32 2S -0.09035 -0.48601 0.14064 -0.06222 -0.41605 33 2PX 0.03344 0.06891 -0.13452 0.03968 0.07317 34 2PY 0.08529 -0.04516 0.02396 -0.03545 0.06149 35 2PZ 0.06323 0.06742 -0.02445 0.01699 0.04947 36 3S 0.16194 1.73969 0.22142 0.14516 1.50794 37 3PX 0.13871 0.09194 0.04266 -0.67301 0.29116 38 3PY -0.35043 0.33636 -0.46278 0.54002 -0.83441 39 3PZ -0.42236 -0.09796 0.35526 0.51695 -0.25130 40 4XX 0.04848 -0.13954 -0.10985 -0.02564 0.00844 41 4YY 0.08144 0.01971 0.02675 -0.00022 0.01451 42 4ZZ -0.13999 0.07054 0.06681 0.01357 0.00619 43 4XY 0.13838 0.18345 -0.12803 0.03945 0.08405 44 4XZ -0.10005 -0.10618 0.06128 0.05447 0.08694 45 4YZ -0.01121 0.16331 -0.02033 -0.03363 0.07280 46 4 C 1S 0.00347 0.03314 -0.01576 -0.01334 0.03624 47 2S -0.11522 0.38847 -0.20398 -0.17947 0.45649 48 2PX 0.07364 0.02902 -0.01025 -0.04529 0.07828 49 2PY 0.04556 -0.03211 -0.00597 0.05146 0.04415 50 2PZ -0.06992 0.03211 -0.05659 0.09618 0.00791 51 3S -0.29918 -1.21844 0.51929 0.88423 -2.30560 52 3PX 0.06948 0.05402 0.12715 -0.23105 -0.02804 53 3PY -0.15994 -0.32914 0.15345 0.14701 0.25748 54 3PZ 0.04680 -0.26516 0.23759 0.04801 -0.35608 55 4XX -0.05388 0.20156 -0.01904 -0.00376 0.06819 56 4YY 0.00678 0.03579 -0.01413 0.05405 -0.00582 57 4ZZ 0.05472 -0.19884 0.00885 -0.05610 -0.03931 58 4XY 0.08467 -0.17023 0.01879 -0.15779 0.02856 59 4XZ 0.03510 -0.03496 -0.02765 0.13540 0.05159 60 4YZ 0.06338 -0.19539 -0.03709 0.05809 -0.03328 61 5 C 1S 0.00348 0.03314 0.01576 -0.01337 -0.03624 62 2S -0.11510 0.38834 0.20401 -0.17987 -0.45645 63 2PX 0.07351 0.02909 0.01025 -0.04532 -0.07833 64 2PY -0.04556 0.03212 -0.00594 -0.05141 0.04417 65 2PZ -0.07014 0.03213 0.05661 0.09615 -0.00802 66 3S -0.30080 -1.21804 -0.51927 0.88576 2.30542 67 3PX 0.07107 0.05348 -0.12712 -0.23115 0.02804 68 3PY 0.16012 0.32877 0.15324 -0.14683 0.25754 69 3PZ 0.04744 -0.26536 -0.23777 0.04801 0.35606 70 4XX -0.05406 0.20155 0.01896 -0.00392 -0.06815 71 4YY 0.00676 0.03593 0.01411 0.05405 0.00581 72 4ZZ 0.05491 -0.19899 -0.00875 -0.05597 0.03927 73 4XY -0.08466 0.17022 0.01874 0.15783 0.02862 74 4XZ 0.03520 -0.03490 0.02765 0.13540 -0.05161 75 4YZ -0.06342 0.19532 -0.03714 -0.05818 -0.03323 76 6 C 1S -0.01077 -0.04231 0.00030 -0.01459 0.02192 77 2S -0.09059 -0.48616 -0.14061 -0.06205 0.41647 78 2PX 0.03344 0.06897 0.13452 0.03967 -0.07323 79 2PY -0.08534 0.04509 0.02390 0.03542 0.06145 80 2PZ 0.06347 0.06740 0.02445 0.01698 -0.04954 81 3S 0.16453 1.73963 -0.22167 0.14424 -1.50916 82 3PX 0.13926 0.09165 -0.04264 -0.67321 -0.29066 83 3PY 0.35230 -0.33614 -0.46252 -0.53989 -0.83382 84 3PZ -0.42312 -0.09725 -0.35519 0.51705 0.25126 85 4XX 0.04855 -0.13953 0.10991 -0.02551 -0.00839 86 4YY 0.08154 0.01969 -0.02673 -0.00018 -0.01447 87 4ZZ -0.14014 0.07054 -0.06685 0.01341 -0.00625 88 4XY -0.13860 -0.18347 -0.12797 -0.03948 0.08389 89 4XZ -0.10008 -0.10623 -0.06121 0.05436 -0.08703 90 4YZ 0.01127 -0.16331 -0.02029 0.03373 0.07281 91 7 H 1S -0.17142 0.07840 0.16856 0.07806 0.04416 92 2S -0.16502 0.23289 0.28880 0.28747 0.17249 93 8 H 1S -0.17101 0.07826 -0.16860 0.07800 -0.04423 94 2S -0.16415 0.23268 -0.28882 0.28737 -0.17273 95 9 H 1S -0.02401 -0.24035 0.04492 -0.18987 0.06571 96 2S 0.15808 -0.32287 0.17406 -0.22275 0.12603 97 10 H 1S 0.02525 0.12224 -0.02464 -0.05444 0.07908 98 2S 0.06236 0.09206 0.00530 -0.14040 0.19862 99 11 H 1S 0.02549 0.12213 0.02461 -0.05460 -0.07911 100 2S 0.06287 0.09193 -0.00539 -0.14052 -0.19845 101 12 H 1S -0.02381 -0.24026 -0.04486 -0.18980 -0.06543 102 2S 0.15851 -0.32280 -0.17389 -0.22266 -0.12565 103 13 H 1S -0.02746 0.16914 0.10075 -0.00144 -0.13371 104 2S 0.01998 0.16224 0.18070 -0.01098 -0.27973 105 14 H 1S -0.02729 0.16909 -0.10075 -0.00137 0.13375 106 2S 0.02043 0.16206 -0.18066 -0.01082 0.27962 107 15 C 1S 0.00937 0.01922 0.00277 0.01314 0.01251 108 2S 0.16064 0.27588 0.12727 0.33366 -0.03171 109 2PX 0.10330 0.06932 0.01672 0.10650 -0.04725 110 2PY -0.01879 -0.00384 0.04217 0.03983 -0.00267 111 2PZ 0.07020 0.06911 0.05212 0.06975 0.04355 112 3S -0.41380 -0.81497 -1.20567 -0.77816 0.89784 113 3PX -0.04850 0.02197 0.33396 -0.08008 -1.05694 114 3PY -0.07411 -0.27826 0.99081 -0.31449 0.25586 115 3PZ -0.12762 -0.24083 -0.70368 -0.15218 0.30068 116 4XX -0.18115 0.01170 0.06911 0.01364 -0.00241 117 4YY 0.04352 0.05878 -0.01657 0.05111 -0.00538 118 4ZZ 0.12300 -0.08186 -0.08139 -0.09639 0.08975 119 4XY 0.25734 0.01959 0.04600 0.00814 0.00880 120 4XZ -0.09093 0.02199 -0.01317 -0.01936 -0.01461 121 4YZ 0.20784 -0.03219 0.03915 -0.04744 0.03634 122 16 C 1S 0.00937 0.01923 -0.00277 0.01314 -0.01254 123 2S 0.16025 0.27586 -0.12724 0.33368 0.03124 124 2PX 0.10313 0.06930 -0.01674 0.10650 0.04718 125 2PY 0.01883 0.00385 0.04220 -0.03982 -0.00258 126 2PZ 0.07020 0.06908 -0.05210 0.06973 -0.04359 127 3S -0.41257 -0.81506 1.20573 -0.77882 -0.89637 128 3PX -0.04831 0.02194 -0.33387 -0.07965 1.05699 129 3PY 0.07471 0.27814 0.99060 0.31422 0.25521 130 3PZ -0.12762 -0.24058 0.70360 -0.15220 -0.30045 131 4XX -0.18107 0.01171 -0.06910 0.01368 0.00243 132 4YY 0.04354 0.05878 0.01656 0.05111 0.00533 133 4ZZ 0.12292 -0.08184 0.08141 -0.09645 -0.08971 134 4XY -0.25738 -0.01957 0.04593 -0.00812 0.00873 135 4XZ -0.09090 0.02200 0.01313 -0.01935 0.01461 136 4YZ -0.20786 0.03220 0.03910 0.04747 0.03627 137 17 C 1S -0.01049 -0.02737 0.00000 -0.02243 0.00002 138 2S -0.19001 -0.35414 0.00001 -0.27238 0.00024 139 2PX -0.00546 0.03560 -0.00001 0.01992 -0.00003 140 2PY -0.00004 0.00002 -0.11159 0.00004 0.10498 141 2PZ -0.03036 -0.03291 0.00001 -0.03930 0.00001 142 3S 0.72155 1.57174 -0.00016 1.25834 -0.00114 143 3PX 0.29678 0.24146 -0.00003 0.27715 -0.00020 144 3PY -0.00023 0.00004 -0.38374 0.00011 0.20243 145 3PZ 0.30784 0.08594 -0.00005 0.16453 0.00002 146 4XX 0.03065 -0.01198 0.00000 0.00888 -0.00001 147 4YY 0.05453 0.04023 0.00002 0.01871 -0.00001 148 4ZZ -0.08916 -0.02024 -0.00003 -0.01472 0.00000 149 4XY -0.00002 -0.00001 -0.23573 0.00000 -0.06832 150 4XZ 0.06496 -0.01297 -0.00001 -0.01879 0.00000 151 4YZ 0.00007 -0.00006 -0.45727 -0.00005 -0.21550 152 18 O 1S -0.00035 0.00208 -0.02341 0.00646 0.05017 153 2S 0.02709 0.05437 -0.35103 0.11974 0.92102 154 2PX 0.00347 -0.07249 0.02448 -0.02789 0.09160 155 2PY -0.02768 -0.06618 0.11354 -0.04315 -0.15013 156 2PZ 0.10066 0.06321 -0.09509 0.06276 -0.11102 157 3S -0.09047 -0.14530 1.13303 -0.31117 -2.50897 158 3PX 0.10113 0.45846 -0.01367 0.28571 -0.39547 159 3PY 0.13728 0.28357 -0.45108 0.26303 0.50058 160 3PZ -0.37336 -0.27391 0.29569 -0.23699 0.52243 161 4XX 0.16983 -0.02403 -0.02011 -0.02797 0.35106 162 4YY 0.02385 -0.00746 -0.17635 0.02929 0.34548 163 4ZZ -0.18464 0.07003 -0.08377 0.08698 -0.02104 164 4XY -0.06196 0.05491 0.10332 0.04246 0.03621 165 4XZ 0.04306 -0.02501 0.15561 -0.04488 -0.13266 166 4YZ -0.10351 0.01748 0.29793 0.03489 0.18415 167 19 H 1S 0.06368 0.13112 -0.18148 0.10240 -0.01979 168 2S -0.01712 0.03501 -0.29949 0.13993 -0.07245 169 20 H 1S 0.06369 0.13117 0.18141 0.10243 0.01962 170 2S -0.01713 0.03505 0.29941 0.13988 0.07211 171 21 H 1S -0.08095 -0.15980 0.00002 -0.15841 0.00012 172 2S -0.17362 -0.25742 0.00004 -0.22663 0.00013 173 22 O 1S -0.00033 0.00208 0.02340 0.00643 -0.05019 174 2S 0.02727 0.05441 0.35095 0.11936 -0.92114 175 2PX 0.00338 -0.07244 -0.02447 -0.02788 -0.09151 176 2PY 0.02773 0.06617 0.11350 0.04306 -0.15024 177 2PZ 0.10066 0.06321 0.09511 0.06280 0.11089 178 3S -0.09103 -0.14541 -1.13274 -0.31010 2.50937 179 3PX 0.10145 0.45828 0.01360 0.28570 0.39488 180 3PY -0.13754 -0.28352 -0.45093 -0.26269 0.50114 181 3PZ -0.37341 -0.27393 -0.29571 -0.23715 -0.52196 182 4XX 0.16982 -0.02403 0.02011 -0.02812 -0.35106 183 4YY 0.02396 -0.00746 0.17631 0.02911 -0.34554 184 4ZZ -0.18459 0.07005 0.08375 0.08701 0.02100 185 4XY 0.06187 -0.05488 0.10337 -0.04244 0.03624 186 4XZ 0.04309 -0.02506 -0.15558 -0.04484 0.13269 187 4YZ 0.10342 -0.01742 0.29795 -0.03484 0.18412 188 23 H 1S 0.02383 -0.11250 0.00001 -0.07441 0.00009 189 2S 0.02662 -0.10808 0.00001 -0.02856 0.00009 126 127 128 129 130 V V V V V Eigenvalues -- 1.58418 1.62900 1.64400 1.67990 1.73242 1 1 C 1S -0.00058 0.02160 -0.02046 0.00960 -0.00546 2 2S 0.04600 0.48671 -0.38895 0.08367 -0.06782 3 2PX -0.03387 0.00545 0.01778 -0.04118 -0.06322 4 2PY 0.00400 0.02629 -0.00990 0.02505 0.09789 5 2PZ -0.00590 -0.11271 0.08264 -0.04927 0.11181 6 3S -0.10139 -2.72318 2.46917 -0.22167 0.02324 7 3PX 0.00446 -0.85723 0.57649 0.06373 -0.08510 8 3PY -0.06271 -1.27690 0.53948 -0.09911 -0.34378 9 3PZ 0.21859 1.93360 -1.67320 0.14742 0.17905 10 4XX 0.01859 0.01243 -0.10257 0.12530 0.09064 11 4YY 0.03278 0.00943 -0.01715 0.06441 -0.12722 12 4ZZ -0.05546 -0.05236 0.12348 -0.18999 0.04832 13 4XY 0.03329 -0.07345 0.08501 0.01832 0.08620 14 4XZ -0.10104 -0.14816 0.17411 -0.11101 -0.20212 15 4YZ -0.02211 0.03326 -0.02880 0.09124 0.02993 16 2 C 1S -0.00061 -0.02160 0.02047 0.00957 -0.00549 17 2S 0.04540 -0.48676 0.38909 0.08318 -0.06805 18 2PX -0.03387 -0.00536 -0.01783 -0.04114 -0.06330 19 2PY -0.00395 0.02634 -0.00997 -0.02505 -0.09795 20 2PZ -0.00577 0.11273 -0.08269 -0.04919 0.11175 21 3S -0.09849 2.72341 -2.46941 -0.21927 0.02685 22 3PX 0.00529 0.85705 -0.57652 0.06410 -0.08417 23 3PY 0.06160 -1.27752 0.54018 0.09810 0.34365 24 3PZ 0.21649 -1.93380 1.67363 0.14621 0.17635 25 4XX 0.01859 -0.01256 0.10262 0.12529 0.09065 26 4YY 0.03277 -0.00945 0.01719 0.06439 -0.12717 27 4ZZ -0.05543 0.05250 -0.12357 -0.18994 0.04829 28 4XY -0.03336 -0.07331 0.08483 -0.01842 -0.08617 29 4XZ -0.10087 0.14835 -0.17427 -0.11090 -0.20210 30 4YZ 0.02216 0.03328 -0.02887 -0.09128 -0.02987 31 3 C 1S -0.05603 -0.00145 -0.03659 0.02152 -0.01403 32 2S -0.71960 0.06044 -0.54529 0.14516 -0.12156 33 2PX 0.06395 0.06365 0.03482 -0.07047 0.00264 34 2PY -0.01492 -0.02052 -0.01485 0.02125 0.09557 35 2PZ 0.08751 -0.10294 0.06335 0.00065 -0.03779 36 3S 2.36982 -1.38792 3.03025 -0.58414 0.45325 37 3PX -0.06908 -0.14273 -0.02313 -0.08815 0.07169 38 3PY 0.03234 1.04124 -0.96519 -0.45652 -0.74187 39 3PZ -0.79595 -0.09211 -0.02309 0.20397 -0.02748 40 4XX 0.09347 0.13603 -0.09537 0.03002 0.01173 41 4YY -0.07404 -0.01153 -0.06449 -0.09219 0.01319 42 4ZZ -0.07274 -0.14080 0.16986 0.09672 -0.03444 43 4XY -0.16155 0.11953 -0.11191 -0.02560 0.08314 44 4XZ 0.06427 -0.16407 0.22872 0.04355 0.05362 45 4YZ -0.11101 0.04829 0.01800 0.06235 -0.16037 46 4 C 1S 0.02936 0.01376 0.03133 -0.01082 0.01277 47 2S 0.34089 0.17055 0.39446 -0.13438 0.14583 48 2PX 0.06274 0.00318 0.01373 -0.00114 -0.05965 49 2PY -0.00885 -0.01621 0.02860 -0.06736 0.04622 50 2PZ -0.01438 0.08036 -0.02479 0.02398 0.07938 51 3S -1.52612 0.04486 -2.13727 0.56077 -0.50045 52 3PX 0.33983 -0.52610 0.51537 -0.03097 0.18451 53 3PY -0.44506 -0.04248 0.31636 0.34534 0.00007 54 3PZ -0.20599 -0.32584 -0.07679 0.02752 -0.27826 55 4XX -0.11332 0.01155 0.02942 -0.00060 -0.07463 56 4YY 0.00917 0.01790 -0.01860 -0.03722 0.19541 57 4ZZ 0.14072 -0.01807 -0.00705 0.02353 -0.10984 58 4XY 0.23738 -0.01251 0.01330 -0.14308 -0.13270 59 4XZ -0.04412 -0.03702 0.03746 0.11669 0.20778 60 4YZ 0.02300 0.05949 -0.10127 0.19898 0.05945 61 5 C 1S 0.02931 -0.01377 -0.03131 -0.01080 0.01251 62 2S 0.34032 -0.17079 -0.39419 -0.13412 0.14261 63 2PX 0.06272 -0.00321 -0.01374 -0.00117 -0.05919 64 2PY 0.00886 -0.01634 0.02871 0.06736 -0.04611 65 2PZ -0.01449 -0.08035 0.02473 0.02398 0.07931 66 3S -1.52455 -0.04398 2.13622 0.55950 -0.49052 67 3PX 0.34049 0.52582 -0.51511 -0.03072 0.18302 68 3PY 0.44533 -0.04229 0.31635 -0.34552 0.00192 69 3PZ -0.20548 0.32626 0.07637 0.02742 -0.27856 70 4XX -0.11333 -0.01151 -0.02951 -0.00071 -0.07464 71 4YY 0.00910 -0.01782 0.01853 -0.03731 0.19544 72 4ZZ 0.14075 0.01794 0.00722 0.02373 -0.11001 73 4XY -0.23738 -0.01244 0.01329 0.14308 0.13295 74 4XZ -0.04411 0.03701 -0.03744 0.11669 0.20804 75 4YZ -0.02292 0.05959 -0.10135 -0.19892 -0.05960 76 6 C 1S -0.05604 0.00147 0.03657 0.02151 -0.01409 77 2S -0.71974 -0.06000 0.54494 0.14502 -0.12270 78 2PX 0.06387 -0.06363 -0.03486 -0.07048 0.00252 79 2PY 0.01493 -0.02042 -0.01494 -0.02121 -0.09589 80 2PZ 0.08766 0.10288 -0.06334 0.00070 -0.03743 81 3S 2.37137 1.38662 -3.02903 -0.58264 0.45574 82 3PX -0.06913 0.14277 0.02322 -0.08803 0.07082 83 3PY -0.03179 1.04046 -0.96430 0.45717 0.74367 84 3PZ -0.79578 0.09230 0.02289 0.20378 -0.02603 85 4XX 0.09332 -0.13611 0.09546 0.03003 0.01160 86 4YY -0.07405 0.01157 0.06445 -0.09223 0.01317 87 4ZZ -0.07260 0.14084 -0.16993 0.09678 -0.03439 88 4XY 0.16167 0.11936 -0.11181 0.02572 -0.08325 89 4XZ 0.06442 0.16395 -0.22863 0.04370 0.05366 90 4YZ 0.11108 0.04824 0.01806 -0.06222 0.16053 91 7 H 1S -0.07003 -0.32716 0.15568 0.06267 -0.20916 92 2S -0.06498 -0.66261 0.41805 -0.04256 -0.09385 93 8 H 1S -0.06970 0.32726 -0.15581 0.06283 -0.20891 94 2S -0.06431 0.66273 -0.41827 -0.04220 -0.09320 95 9 H 1S -0.29139 -0.08851 -0.05404 0.24683 0.05985 96 2S -0.27542 -0.25826 0.03623 0.25989 0.32656 97 10 H 1S 0.14527 -0.03904 0.18417 -0.00288 0.05864 98 2S 0.06360 -0.12586 0.15316 -0.12013 -0.08398 99 11 H 1S 0.14521 0.03900 -0.18409 -0.00282 0.05767 100 2S 0.06365 0.12594 -0.15314 -0.12009 -0.08482 101 12 H 1S -0.29140 0.08850 0.05410 0.24681 0.06006 102 2S -0.27534 0.25807 -0.03598 0.25995 0.32696 103 13 H 1S 0.06013 -0.18489 -0.02870 -0.06292 0.06033 104 2S 0.16012 -0.21067 -0.03020 -0.07884 0.02386 105 14 H 1S 0.06044 0.18484 0.02880 -0.06295 0.06112 106 2S 0.16048 0.21060 0.03022 -0.07887 0.02397 107 15 C 1S 0.04066 0.00841 0.02737 0.00908 0.01828 108 2S 0.52733 0.22177 0.21650 -0.04767 0.22390 109 2PX 0.01806 0.09472 0.05084 -0.00749 0.06131 110 2PY 0.07978 0.01175 0.09705 0.05753 -0.08130 111 2PZ 0.01413 0.10762 -0.02661 -0.00407 0.04739 112 3S -2.00404 -0.73818 -0.54111 -0.27214 -0.77244 113 3PX 0.05171 -0.04173 -0.48895 -0.07957 0.16986 114 3PY -0.95970 0.15270 -0.97591 -0.43164 -0.08468 115 3PZ -0.23877 -0.08481 0.66835 0.34459 -0.28587 116 4XX -0.07822 0.23517 0.16381 0.13934 0.05898 117 4YY 0.00165 0.01019 -0.00346 -0.02870 -0.03150 118 4ZZ 0.10227 -0.25193 -0.09963 -0.07165 0.01786 119 4XY -0.10246 0.03035 0.07182 0.24333 0.13852 120 4XZ 0.07955 0.00449 0.10585 0.15831 0.14894 121 4YZ -0.10898 -0.08447 -0.11822 0.13208 0.05654 122 16 C 1S 0.04068 -0.00844 -0.02735 0.00908 0.01837 123 2S 0.52751 -0.22205 -0.21649 -0.04771 0.22513 124 2PX 0.01807 -0.09471 -0.05091 -0.00752 0.06164 125 2PY -0.07983 0.01178 0.09701 -0.05759 0.08118 126 2PZ 0.01405 -0.10763 0.02663 -0.00413 0.04726 127 3S -2.00506 0.73931 0.54052 -0.27193 -0.77649 128 3PX 0.05206 0.04159 0.48905 -0.07965 0.16709 129 3PY 0.96019 0.15222 -0.97542 0.43215 0.08370 130 3PZ -0.23849 0.08499 -0.66844 0.34486 -0.28395 131 4XX -0.07824 -0.23517 -0.16382 0.13929 0.05902 132 4YY 0.00164 -0.01017 0.00344 -0.02872 -0.03152 133 4ZZ 0.10229 0.25187 0.09970 -0.07156 0.01792 134 4XY 0.10246 0.03043 0.07183 -0.24335 -0.13847 135 4XZ 0.07958 -0.00457 -0.10577 0.15836 0.14888 136 4YZ 0.10901 -0.08451 -0.11825 -0.13207 -0.05624 137 17 C 1S -0.04644 0.00002 -0.00001 -0.03929 0.02830 138 2S -0.53523 0.00023 -0.00016 -0.51799 0.45844 139 2PX 0.09169 -0.00003 0.00004 0.11896 -0.03045 140 2PY 0.00001 0.04559 0.14175 -0.00002 -0.00007 141 2PZ -0.04890 0.00003 -0.00002 -0.08695 0.00225 142 3S 2.74965 -0.00109 0.00093 2.87774 -1.93236 143 3PX 0.45489 -0.00021 0.00020 0.75701 -0.55820 144 3PY -0.00001 0.21964 0.48703 -0.00007 -0.00012 145 3PZ 0.07238 -0.00003 0.00004 0.25002 0.35624 146 4XX -0.01586 0.00002 0.00000 -0.07977 -0.06673 147 4YY 0.11182 -0.00005 0.00003 0.20630 -0.07577 148 4ZZ -0.05343 0.00002 -0.00003 -0.10374 0.13793 149 4XY -0.00004 0.02122 0.16939 -0.00002 0.00002 150 4XZ 0.07361 -0.00003 0.00002 -0.02826 0.16628 151 4YZ -0.00010 -0.10878 0.09265 -0.00001 0.00003 152 18 O 1S 0.00414 0.00366 0.00934 0.04052 -0.04804 153 2S 0.02568 0.00613 0.05050 0.59293 -0.58900 154 2PX -0.15428 0.00060 -0.04811 -0.00242 0.00411 155 2PY -0.13994 0.03835 0.00188 -0.14691 0.00912 156 2PZ 0.16750 0.06123 0.08889 0.04748 0.02389 157 3S -0.08063 -0.02719 -0.35166 -1.93736 2.11909 158 3PX 0.89314 0.17015 0.36393 0.33594 0.07077 159 3PY 0.64915 0.00963 0.26659 0.87765 -0.54118 160 3PZ -0.67173 -0.07602 -0.31483 -0.34448 -0.17314 161 4XX 0.03004 -0.25986 -0.26296 0.16580 -0.14377 162 4YY -0.05151 0.08022 0.18209 0.18360 -0.29685 163 4ZZ 0.04477 0.18949 0.14442 0.09033 0.02491 164 4XY 0.03606 0.10600 0.01073 0.15156 0.00940 165 4XZ 0.02902 -0.04034 0.00415 -0.08156 0.23011 166 4YZ -0.07747 0.23900 0.04752 0.04679 -0.02473 167 19 H 1S 0.27269 0.11755 0.34736 0.22668 0.09183 168 2S 0.37621 -0.01320 0.64697 0.30350 0.03756 169 20 H 1S 0.27283 -0.11769 -0.34718 0.22675 0.09241 170 2S 0.37664 0.01301 -0.64689 0.30374 0.03865 171 21 H 1S -0.25235 0.00009 -0.00007 -0.26934 0.06808 172 2S -0.34880 0.00015 -0.00012 -0.45989 0.09333 173 22 O 1S 0.00411 -0.00367 -0.00933 0.04052 -0.04800 174 2S 0.02527 -0.00623 -0.05037 0.59288 -0.58836 175 2PX -0.15433 -0.00051 0.04802 -0.00246 0.00412 176 2PY 0.13988 0.03825 0.00198 0.14692 -0.00916 177 2PZ 0.16761 -0.06132 -0.08882 0.04749 0.02385 178 3S -0.07949 0.02747 0.35112 -1.93730 2.11688 179 3PX 0.89340 -0.17076 -0.36346 0.33606 0.07061 180 3PY -0.64898 0.01011 0.26607 -0.87772 0.54107 181 3PZ -0.67218 0.07647 0.31451 -0.34462 -0.17279 182 4XX 0.02988 0.25980 0.26305 0.16579 -0.14368 183 4YY -0.05165 -0.08026 -0.18206 0.18364 -0.29653 184 4ZZ 0.04477 -0.18946 -0.14442 0.09028 0.02493 185 4XY -0.03600 0.10603 0.01068 -0.15151 -0.00932 186 4XZ 0.02908 0.04036 -0.00412 -0.08151 0.23005 187 4YZ 0.07764 0.23897 0.04758 -0.04670 0.02457 188 23 H 1S -0.23828 0.00008 -0.00007 -0.08419 0.08234 189 2S -0.20634 0.00006 -0.00005 -0.06617 0.19711 131 132 133 134 135 V V V V V Eigenvalues -- 1.74686 1.75981 1.79213 1.85799 1.87091 1 1 C 1S 0.01712 -0.00412 0.00507 -0.01771 0.01322 2 2S 0.11580 -0.13936 0.03856 -0.01759 0.13379 3 2PX 0.01698 0.00719 -0.06278 0.04295 0.03977 4 2PY -0.02529 -0.09389 0.10513 0.10321 0.00107 5 2PZ 0.05619 0.04228 0.09049 -0.05763 -0.08593 6 3S -1.48004 0.04925 -0.30182 1.31340 -0.41062 7 3PX -0.20233 -0.11763 -0.17616 0.30577 0.02974 8 3PY 0.12629 0.01329 -0.40607 0.53348 0.15329 9 3PZ 0.93762 0.13428 0.47414 -0.65200 0.07539 10 4XX -0.06291 -0.10225 0.04181 -0.07364 0.26316 11 4YY -0.01028 0.14238 -0.04196 0.13184 -0.03438 12 4ZZ 0.05545 -0.03610 0.03463 -0.02404 -0.16873 13 4XY 0.04584 0.02453 0.16098 0.02956 -0.04676 14 4XZ 0.01751 -0.00695 -0.18073 0.11414 0.19678 15 4YZ -0.00331 -0.15733 -0.05029 0.03153 0.03454 16 2 C 1S -0.01711 -0.00410 0.00505 0.01770 0.01323 17 2S -0.11578 -0.13934 0.03831 0.01727 0.13377 18 2PX -0.01678 0.00721 -0.06276 -0.04298 0.03970 19 2PY -0.02496 0.09387 -0.10516 0.10320 -0.00103 20 2PZ -0.05644 0.04241 0.09052 0.05785 -0.08587 21 3S 1.48008 0.04826 -0.29980 -1.31305 -0.41125 22 3PX 0.20214 -0.11733 -0.17570 -0.30586 0.02969 23 3PY 0.12565 -0.01418 0.40567 0.53399 -0.15317 24 3PZ -0.93758 0.13469 0.47289 0.65212 0.07562 25 4XX 0.06247 -0.10238 0.04174 0.07328 0.26324 26 4YY 0.01084 0.14245 -0.04186 -0.13170 -0.03449 27 4ZZ -0.05563 -0.03604 0.03464 0.02420 -0.16872 28 4XY 0.04599 -0.02459 -0.16103 0.02945 0.04680 29 4XZ -0.01703 -0.00682 -0.18057 -0.11454 0.19665 30 4YZ -0.00309 0.15730 0.05031 0.03167 -0.03455 31 3 C 1S 0.02762 -0.00162 -0.00856 -0.00401 0.00633 32 2S 0.50693 -0.31171 -0.28799 0.12689 0.07796 33 2PX 0.02854 -0.12851 0.01925 -0.03719 0.05609 34 2PY -0.13566 0.10991 0.10724 -0.05719 -0.05506 35 2PZ -0.13690 0.19066 0.03786 -0.05337 0.03731 36 3S -0.90835 0.57731 0.84749 0.51263 -0.12366 37 3PX 0.59713 0.21015 0.13613 0.30387 -0.29129 38 3PY 0.60215 -0.49986 -1.03616 -0.60071 -0.09815 39 3PZ -0.75402 -0.27204 0.06179 0.55108 0.11969 40 4XX 0.08690 -0.01763 0.03344 0.31108 0.15417 41 4YY 0.02219 0.01369 0.03361 -0.12848 -0.11026 42 4ZZ -0.06474 0.02220 -0.02831 -0.18700 0.02730 43 4XY -0.10280 -0.19838 -0.01973 -0.11436 0.17324 44 4XZ 0.03276 -0.10319 0.05325 0.12158 0.16806 45 4YZ 0.05037 0.17135 -0.10764 -0.39396 0.14874 46 4 C 1S 0.11685 0.00439 0.00953 -0.01409 -0.01523 47 2S 1.49973 0.23486 0.15325 0.09662 -0.08461 48 2PX -0.18774 0.05703 -0.02586 0.01529 0.03129 49 2PY 0.04699 -0.24759 -0.02931 -0.01920 -0.01987 50 2PZ 0.03896 -0.05333 0.02554 0.13116 0.00302 51 3S -4.81099 -0.54177 -0.55409 -0.18720 0.43880 52 3PX 0.56766 0.09739 0.19452 -0.70972 0.01539 53 3PY 0.93679 0.26615 0.12943 0.18620 0.18158 54 3PZ -0.05079 -0.07197 -0.26652 -1.21696 0.09444 55 4XX -0.06474 0.10248 -0.01099 -0.15449 0.13319 56 4YY -0.03010 -0.29909 0.10367 0.04371 -0.12689 57 4ZZ 0.15000 0.17247 -0.09503 0.09035 0.02244 58 4XY 0.12598 -0.23926 -0.20384 0.07287 0.09516 59 4XZ -0.12859 -0.01815 0.20961 0.25933 0.14086 60 4YZ -0.01804 0.27383 0.09722 0.24794 0.00532 61 5 C 1S -0.11688 0.00458 0.00949 0.01412 -0.01522 62 2S -1.49974 0.23739 0.15288 -0.09633 -0.08469 63 2PX 0.18795 0.05676 -0.02575 -0.01528 0.03129 64 2PY 0.04756 0.24749 0.02934 -0.01915 0.01987 65 2PZ -0.03925 -0.05327 0.02559 -0.13113 0.00289 66 3S 4.81154 -0.55026 -0.55316 0.18614 0.43876 67 3PX -0.56798 0.09799 0.19374 0.70981 0.01582 68 3PY 0.93607 -0.26775 -0.12945 0.18664 -0.18133 69 3PZ 0.05089 -0.07277 -0.26740 1.21675 0.09534 70 4XX 0.06499 0.10217 -0.01123 0.15448 0.13321 71 4YY 0.02908 -0.29926 0.10366 -0.04344 -0.12693 72 4ZZ -0.14930 0.17303 -0.09480 -0.09066 0.02247 73 4XY 0.12618 0.23895 0.20382 0.07315 -0.09509 74 4XZ 0.12814 -0.01837 0.20971 -0.25917 0.14069 75 4YZ -0.01840 -0.27373 -0.09743 0.24749 -0.00515 76 6 C 1S -0.02756 -0.00158 -0.00857 0.00399 0.00633 77 2S -0.50696 -0.31091 -0.28816 -0.12742 0.07780 78 2PX -0.02883 -0.12855 0.01919 0.03709 0.05609 79 2PY -0.13568 -0.10965 -0.10725 -0.05732 0.05499 80 2PZ 0.13725 0.19045 0.03790 0.05343 0.03738 81 3S 0.90748 0.57692 0.84867 -0.51145 -0.12376 82 3PX -0.59667 0.21160 0.13629 -0.30353 -0.29136 83 3PY 0.60211 0.49951 1.03693 -0.60006 0.09800 84 3PZ 0.75375 -0.27317 0.06229 -0.55137 0.11916 85 4XX -0.08692 -0.01730 0.03363 -0.31124 0.15396 86 4YY -0.02220 0.01365 0.03354 0.12842 -0.11017 87 4ZZ 0.06485 0.02200 -0.02843 0.18718 0.02742 88 4XY -0.10233 0.19869 0.01993 -0.11415 -0.17329 89 4XZ -0.03309 -0.10309 0.05337 -0.12192 0.16794 90 4YZ 0.04973 -0.17120 0.10788 -0.39380 -0.14900 91 7 H 1S -0.04263 -0.12973 -0.27921 0.15657 0.20255 92 2S -0.15361 -0.03035 -0.18384 0.21998 0.02940 93 8 H 1S 0.04288 -0.12956 -0.27905 -0.15695 0.20249 94 2S 0.15358 -0.03017 -0.18352 -0.22013 0.02936 95 9 H 1S -0.07124 0.01544 0.13121 0.16112 0.12840 96 2S -0.11403 0.14237 0.29896 0.17104 0.05988 97 10 H 1S 0.40383 0.03216 0.01279 -0.32220 -0.07194 98 2S 0.36247 0.01707 -0.01045 -0.39736 -0.00921 99 11 H 1S -0.40401 0.03266 0.01249 0.32240 -0.07170 100 2S -0.36230 0.01740 -0.01094 0.39736 -0.00890 101 12 H 1S 0.07139 0.01535 0.13131 -0.16109 0.12829 102 2S 0.11392 0.14238 0.29913 -0.17093 0.05983 103 13 H 1S -0.40041 0.02292 0.03418 -0.16962 -0.21906 104 2S -0.15300 0.02455 0.01228 -0.34448 -0.01592 105 14 H 1S 0.40024 0.02213 0.03412 0.16980 -0.21899 106 2S 0.15289 0.02404 0.01195 0.34447 -0.01570 107 15 C 1S -0.03856 0.00798 0.00716 -0.00381 0.01152 108 2S -0.55632 0.11291 0.08815 0.02309 0.31153 109 2PX -0.15500 0.00035 -0.10879 0.03033 -0.05034 110 2PY -0.04913 -0.05801 -0.01468 0.00049 0.03016 111 2PZ 0.05749 0.03550 -0.01144 -0.02131 0.14147 112 3S 1.88215 -0.21980 0.24308 0.10255 -0.43581 113 3PX 1.14407 0.09438 -0.03526 -0.33235 0.02869 114 3PY -0.39693 0.13759 0.37033 0.07271 -0.07367 115 3PZ -0.78105 -0.28020 -0.07555 0.45499 -0.11361 116 4XX -0.01417 -0.04519 -0.14391 0.00173 -0.14898 117 4YY 0.00744 0.00736 0.06340 -0.00627 0.10859 118 4ZZ -0.01671 0.04907 0.06597 -0.00313 -0.00790 119 4XY 0.03393 -0.02118 -0.21676 -0.02325 -0.11792 120 4XZ 0.01683 -0.00123 -0.15219 -0.01282 0.13620 121 4YZ 0.13590 -0.00451 0.00215 -0.03480 0.18329 122 16 C 1S 0.03852 0.00791 0.00716 0.00382 0.01152 123 2S 0.55569 0.11191 0.08820 -0.02303 0.31154 124 2PX 0.15477 0.00007 -0.10875 -0.03039 -0.05036 125 2PY -0.04911 0.05804 0.01462 0.00052 -0.03017 126 2PZ -0.05751 0.03557 -0.01148 0.02129 0.14148 127 3S -1.88008 -0.21628 0.24318 -0.10263 -0.43623 128 3PX -1.14389 0.09612 -0.03600 0.33226 0.02899 129 3PY -0.39775 -0.13657 -0.37013 0.07258 0.07349 130 3PZ 0.78112 -0.28120 -0.07489 -0.45499 -0.11407 131 4XX 0.01412 -0.04520 -0.14387 -0.00172 -0.14896 132 4YY -0.00744 0.00735 0.06338 0.00630 0.10859 133 4ZZ 0.01674 0.04907 0.06597 0.00312 -0.00791 134 4XY 0.03420 0.02109 0.21674 -0.02320 0.11789 135 4XZ -0.01709 -0.00120 -0.15219 0.01276 0.13622 136 4YZ 0.13596 0.00428 -0.00208 -0.03487 -0.18330 137 17 C 1S -0.00002 0.01564 -0.03389 0.00000 -0.01132 138 2S -0.00025 0.25397 -0.49491 -0.00006 -0.05542 139 2PX 0.00000 -0.02392 -0.06425 -0.00001 -0.05196 140 2PY -0.04438 0.00001 -0.00003 0.01415 0.00000 141 2PZ 0.00004 0.03631 0.02641 0.00001 -0.00649 142 3S 0.00083 -1.19958 1.45422 0.00013 0.12183 143 3PX 0.00025 -0.39475 0.39991 0.00007 -0.05671 144 3PY -0.05366 -0.00002 -0.00006 0.01802 0.00002 145 3PZ -0.00039 -0.03107 -0.66700 -0.00008 -0.36256 146 4XX 0.00008 0.01838 0.27098 0.00005 0.31713 147 4YY -0.00002 -0.10158 -0.13629 -0.00002 -0.36020 148 4ZZ -0.00008 0.06973 -0.12636 -0.00004 0.06411 149 4XY 0.02590 -0.00005 -0.00003 -0.00479 0.00000 150 4XZ -0.00016 0.03443 -0.14778 -0.00004 0.01308 151 4YZ 0.01359 -0.00002 0.00001 -0.03401 -0.00004 152 18 O 1S -0.01113 -0.02496 0.02556 0.00807 -0.00432 153 2S -0.20850 -0.36555 0.30766 0.10254 -0.00534 154 2PX -0.00674 -0.02728 -0.04496 -0.00522 -0.02902 155 2PY -0.02171 0.02707 0.05008 0.00544 -0.03784 156 2PZ 0.01759 -0.01431 -0.04657 -0.00649 -0.04517 157 3S 0.73722 1.22310 -1.16870 -0.46650 0.14014 158 3PX 0.06981 0.01689 -0.01344 -0.09016 0.00338 159 3PY -0.01167 -0.38260 0.16695 0.03771 -0.01379 160 3PZ -0.10629 0.05599 0.26227 0.08068 0.13617 161 4XX -0.02136 -0.07617 0.07604 0.00474 -0.12392 162 4YY -0.09745 -0.13764 0.23703 0.04820 -0.00347 163 4ZZ -0.01857 -0.03020 -0.11710 0.01202 0.13901 164 4XY 0.04180 -0.04068 -0.16066 0.00215 -0.08484 165 4XZ 0.01860 0.11773 -0.15176 -0.01503 0.07326 166 4YZ -0.04695 -0.02172 -0.05534 0.01832 -0.08295 167 19 H 1S -0.25712 -0.02454 -0.12301 0.04785 0.19713 168 2S -0.50270 -0.15845 -0.11366 0.14900 -0.00216 169 20 H 1S 0.25685 -0.02494 -0.12291 -0.04786 0.19707 170 2S 0.50200 -0.15908 -0.11331 -0.14895 -0.00235 171 21 H 1S 0.00000 0.08489 0.03392 0.00002 0.02070 172 2S 0.00006 0.15241 0.08411 0.00001 0.12515 173 22 O 1S 0.01118 -0.02497 0.02558 -0.00807 -0.00433 174 2S 0.20905 -0.36586 0.30786 -0.10246 -0.00541 175 2PX 0.00672 -0.02733 -0.04498 0.00522 -0.02902 176 2PY -0.02176 -0.02704 -0.05008 0.00540 0.03785 177 2PZ -0.01764 -0.01427 -0.04659 0.00649 -0.04516 178 3S -0.73945 1.22403 -1.16957 0.46618 0.14056 179 3PX -0.07010 0.01709 -0.01350 0.09010 0.00348 180 3PY -0.01201 0.38251 -0.16711 0.03772 0.01384 181 3PZ 0.10672 0.05582 0.26235 -0.08059 0.13609 182 4XX 0.02146 -0.07621 0.07604 -0.00466 -0.12393 183 4YY 0.09784 -0.13773 0.23718 -0.04813 -0.00352 184 4ZZ 0.01849 -0.03024 -0.11710 -0.01212 0.13901 185 4XY 0.04186 0.04062 0.16071 0.00222 0.08486 186 4XZ -0.01889 0.11780 -0.15174 0.01499 0.07328 187 4YZ -0.04700 0.02182 0.05535 0.01832 0.08293 188 23 H 1S -0.00003 0.03163 -0.22474 0.00000 -0.27356 189 2S -0.00016 0.02048 -0.23148 -0.00002 -0.05987 136 137 138 139 140 V V V V V Eigenvalues -- 1.89380 1.89864 1.94416 1.96129 1.96313 1 1 C 1S 0.00167 -0.00992 0.00565 0.00071 -0.00324 2 2S -0.05016 -0.28355 -0.13730 0.03639 -0.01347 3 2PX -0.01323 0.01645 0.02082 -0.00770 -0.03722 4 2PY 0.06295 -0.08967 -0.09769 0.19517 -0.05681 5 2PZ 0.03484 0.03371 -0.00286 0.02762 0.01003 6 3S 0.19802 0.52823 0.03995 -0.06077 0.21545 7 3PX 0.09088 0.09375 -0.01463 0.20066 0.02575 8 3PY -0.13280 0.10896 0.09089 -0.47229 0.01404 9 3PZ -0.14728 -0.28843 0.10601 -0.43178 -0.00324 10 4XX 0.04556 -0.21374 0.06212 0.09637 -0.03071 11 4YY -0.00551 0.18708 0.21736 0.04599 0.08781 12 4ZZ -0.05684 -0.05058 -0.26778 -0.16829 -0.06850 13 4XY -0.04502 -0.09934 -0.00858 -0.04652 0.10069 14 4XZ -0.04278 -0.11132 0.00052 0.01528 -0.01821 15 4YZ 0.05716 0.08711 -0.07439 0.17676 -0.17945 16 2 C 1S -0.00164 -0.00993 0.00565 -0.00068 -0.00325 17 2S 0.05110 -0.28329 -0.13741 -0.03649 -0.01393 18 2PX 0.01318 0.01655 0.02079 0.00811 -0.03714 19 2PY 0.06262 0.08977 0.09749 0.19481 0.05868 20 2PZ -0.03494 0.03356 -0.00277 -0.02774 0.00979 21 3S -0.19971 0.52756 0.04022 0.05905 0.21627 22 3PX -0.09128 0.09336 -0.01435 -0.20098 0.02380 23 3PY -0.13223 -0.10926 -0.09038 -0.47218 -0.01860 24 3PZ 0.14837 -0.28786 0.10524 0.43198 0.00083 25 4XX -0.04483 -0.21391 0.06222 -0.09607 -0.03161 26 4YY 0.00491 0.18715 0.21738 -0.04637 0.08740 27 4ZZ 0.05699 -0.05042 -0.26794 0.16846 -0.06696 28 4XY -0.04535 0.09923 0.00873 -0.04552 -0.10108 29 4XZ 0.04314 -0.11118 0.00049 -0.01507 -0.01835 30 4YZ 0.05749 -0.08700 0.07417 0.17530 0.18108 31 3 C 1S -0.00688 0.00068 -0.00364 -0.03408 0.00082 32 2S -0.12251 -0.05071 -0.03566 -0.51856 0.26346 33 2PX -0.02200 -0.00844 0.01679 0.02754 0.01699 34 2PY 0.07397 -0.02272 -0.07922 0.13198 -0.09161 35 2PZ -0.01188 -0.03456 0.09690 0.04039 0.05945 36 3S 0.37296 -0.19378 0.29451 1.65491 -0.41699 37 3PX 0.07937 0.02836 -0.11696 -0.03630 -0.05256 38 3PY -0.10750 0.38688 -0.24246 0.20663 0.16815 39 3PZ 0.15775 -0.22993 -0.29321 -0.07668 -0.09711 40 4XX 0.01910 -0.15282 0.04385 -0.08329 -0.01406 41 4YY 0.14061 -0.01432 -0.08348 0.40717 0.05009 42 4ZZ -0.14463 0.12003 0.10794 -0.26805 -0.00880 43 4XY -0.05832 -0.00326 0.18595 -0.09355 0.06511 44 4XZ -0.02664 -0.17922 0.06275 0.07048 0.10315 45 4YZ 0.01854 0.02831 0.23073 -0.10006 0.08641 46 4 C 1S 0.00277 0.02387 0.02061 -0.00044 -0.00895 47 2S -0.04867 -0.16085 -0.09686 0.02453 -0.04198 48 2PX 0.04451 0.03757 0.00135 0.02435 0.00023 49 2PY 0.02880 0.10554 0.08800 0.11226 0.03916 50 2PZ -0.01590 0.00908 0.00748 0.02533 0.02983 51 3S -0.04106 -0.15508 -0.25176 -0.14564 0.21326 52 3PX -0.31804 -0.04860 0.27391 -0.24391 0.00415 53 3PY -0.04575 -0.28943 -0.12819 -0.58882 -0.00890 54 3PZ -0.16368 0.12695 0.10545 -0.25038 0.03703 55 4XX -0.01787 -0.18394 -0.13974 -0.01160 0.01517 56 4YY -0.02163 0.29132 0.29824 -0.02027 0.00663 57 4ZZ 0.04947 -0.09701 -0.13198 0.05067 -0.02346 58 4XY 0.13257 0.06382 0.10126 0.23481 0.09075 59 4XZ -0.07563 -0.17960 0.04127 -0.11311 0.11804 60 4YZ -0.00162 0.14277 0.21566 -0.17675 -0.01029 61 5 C 1S -0.00285 0.02385 0.02060 0.00056 -0.00894 62 2S 0.04929 -0.16055 -0.09727 -0.02440 -0.04228 63 2PX -0.04463 0.03742 0.00154 -0.02431 0.00002 64 2PY 0.02921 -0.10547 -0.08811 0.11245 -0.03808 65 2PZ 0.01584 0.00931 0.00749 -0.02568 0.02957 66 3S 0.04138 -0.15505 -0.25100 0.14319 0.21463 67 3PX 0.31819 -0.04806 0.27300 0.24401 0.00642 68 3PY -0.04673 0.28929 0.12924 -0.58843 0.00336 69 3PZ 0.16318 0.12655 0.10513 0.25032 0.03950 70 4XX 0.01847 -0.18386 -0.13976 0.01110 0.01525 71 4YY 0.02061 0.29131 0.29807 0.02065 0.00681 72 4ZZ -0.04910 -0.09711 -0.13174 -0.05050 -0.02387 73 4XY 0.13295 -0.06355 -0.10162 0.23573 -0.08853 74 4XZ 0.07628 -0.17919 0.04109 0.11193 0.11905 75 4YZ -0.00118 -0.14296 -0.21572 -0.17705 0.00860 76 6 C 1S 0.00688 0.00069 -0.00369 0.03406 0.00114 77 2S 0.12261 -0.05031 -0.03646 0.51608 0.26826 78 2PX 0.02200 -0.00834 0.01678 -0.02771 0.01673 79 2PY 0.07386 0.02301 0.07904 0.13127 0.09284 80 2PZ 0.01204 -0.03459 0.09702 -0.04077 0.05909 81 3S -0.37220 -0.19464 0.29671 -1.65066 -0.43249 82 3PX -0.07933 0.02812 -0.11693 0.03679 -0.05224 83 3PY -0.10588 -0.38738 0.24222 0.20836 -0.16621 84 3PZ -0.15707 -0.23016 -0.29339 0.07697 -0.09647 85 4XX -0.01852 -0.15266 0.04379 0.08360 -0.01327 86 4YY -0.14056 -0.01481 -0.08311 -0.40780 0.04623 87 4ZZ 0.14419 0.12030 0.10766 0.26821 -0.00625 88 4XY -0.05830 0.00309 -0.18573 -0.09310 -0.06591 89 4XZ 0.02722 -0.17904 0.06274 -0.07147 0.10243 90 4YZ 0.01870 -0.02799 -0.23068 -0.09940 -0.08742 91 7 H 1S 0.04332 0.07902 0.02856 0.20856 -0.13201 92 2S -0.01310 0.02466 -0.03730 -0.00002 0.01459 93 8 H 1S -0.04367 0.07890 0.02877 -0.20731 -0.13401 94 2S 0.01295 0.02463 -0.03722 -0.00019 0.01459 95 9 H 1S -0.13145 -0.03219 0.14810 -0.55417 -0.00450 96 2S 0.04621 -0.14994 0.05682 -0.11551 -0.02148 97 10 H 1S -0.06546 0.23208 0.24553 -0.08327 -0.03569 98 2S -0.02746 0.02907 0.01324 0.05766 -0.00023 99 11 H 1S 0.06463 0.23206 0.24534 0.08391 -0.03485 100 2S 0.02734 0.02885 0.01322 -0.05766 -0.00081 101 12 H 1S 0.13163 -0.03183 0.14746 0.55439 0.00070 102 2S -0.04558 -0.15017 0.05665 0.11575 -0.02040 103 13 H 1S -0.07093 0.14619 -0.02351 -0.07486 -0.11072 104 2S -0.11790 0.00944 -0.08285 -0.23747 0.00148 105 14 H 1S 0.07046 0.14630 -0.02361 0.07605 -0.11002 106 2S 0.11791 0.00958 -0.08327 0.23742 0.00372 107 15 C 1S -0.00196 0.00905 -0.00043 0.01891 -0.00029 108 2S -0.06785 -0.02312 0.08841 0.27947 0.05853 109 2PX -0.02180 -0.09255 0.06291 0.10882 0.04450 110 2PY 0.21516 -0.01355 0.01764 0.00121 -0.13991 111 2PZ -0.00049 0.11530 -0.06973 0.02105 0.00736 112 3S -0.34042 0.08600 -0.25408 -0.78341 -0.00032 113 3PX -0.11931 0.01319 0.01152 -0.28530 -0.02561 114 3PY 0.57945 0.03162 0.00652 -0.25728 0.18517 115 3PZ -0.38897 0.08063 -0.28920 -0.08753 0.06481 116 4XX -0.01534 0.02760 -0.10345 -0.01029 0.03486 117 4YY -0.05896 0.03352 0.07676 -0.02677 -0.23776 118 4ZZ 0.08205 -0.03736 -0.01146 -0.00647 0.24211 119 4XY 0.24209 -0.14000 0.06255 -0.11278 -0.13611 120 4XZ -0.11542 0.08094 -0.17374 -0.03538 -0.04677 121 4YZ -0.10765 0.32050 -0.29398 -0.03537 0.11887 122 16 C 1S 0.00194 0.00906 -0.00040 -0.01890 -0.00046 123 2S 0.06803 -0.02260 0.08890 -0.27979 0.05598 124 2PX 0.02209 -0.09238 0.06307 -0.10921 0.04347 125 2PY 0.21510 0.01426 -0.01761 -0.00014 0.13996 126 2PZ 0.00012 0.11531 -0.06972 -0.02115 0.00717 127 3S 0.34003 0.08620 -0.25514 0.78298 0.00697 128 3PX 0.11927 0.01344 0.01072 0.28546 -0.02293 129 3PY 0.57949 -0.02976 -0.00605 -0.25550 -0.18743 130 3PZ 0.38866 0.08196 -0.28891 0.08665 0.06576 131 4XX 0.01519 0.02764 -0.10350 0.00979 0.03494 132 4YY 0.05893 0.03372 0.07674 0.02912 -0.23746 133 4ZZ -0.08197 -0.03769 -0.01142 0.00423 0.24216 134 4XY 0.24157 0.14088 -0.06236 -0.11409 0.13510 135 4XZ 0.11522 0.08128 -0.17377 0.03576 -0.04636 136 4YZ -0.10659 -0.32082 0.29403 -0.03400 -0.11927 137 17 C 1S 0.00000 -0.00269 0.01003 0.00006 -0.01278 138 2S -0.00007 0.03834 0.06331 0.00021 -0.03932 139 2PX 0.00003 -0.02463 -0.01170 -0.00030 0.06464 140 2PY 0.09353 0.00014 -0.00002 0.08858 0.00044 141 2PZ -0.00002 0.01396 0.01089 -0.00041 0.09069 142 3S 0.00025 -0.16607 -0.44891 -0.00182 0.36483 143 3PX -0.00012 0.06126 -0.28284 -0.00191 0.38022 144 3PY 0.20596 0.00034 0.00004 -0.06790 -0.00035 145 3PZ 0.00009 -0.11041 -0.10912 -0.00430 0.89922 146 4XX -0.00038 0.25396 -0.15183 0.00080 -0.18021 147 4YY 0.00042 -0.26783 0.14217 0.00041 -0.08417 148 4ZZ -0.00005 0.01568 -0.00127 -0.00135 0.29432 149 4XY 0.06669 0.00013 0.00006 -0.18836 -0.00091 150 4XZ 0.00018 -0.10422 0.10444 0.00143 -0.29784 151 4YZ -0.03565 -0.00007 0.00000 0.06420 0.00030 152 18 O 1S 0.01318 0.00779 -0.01629 -0.01399 0.01121 153 2S -0.01155 0.00669 -0.19193 0.01395 -0.00644 154 2PX -0.03036 -0.01870 -0.01147 -0.07696 -0.05638 155 2PY 0.18867 0.00421 0.01995 -0.12025 0.02826 156 2PZ -0.06701 0.03440 -0.05057 0.06654 0.19175 157 3S -0.17809 -0.12122 0.70936 0.23372 -0.20462 158 3PX 0.12968 -0.18143 0.17119 0.20010 -0.04698 159 3PY -0.25007 -0.00843 -0.20225 0.15524 0.02190 160 3PZ 0.13389 0.05679 0.06297 -0.12989 -0.42247 161 4XX -0.14402 -0.04602 -0.00576 0.04820 0.08485 162 4YY 0.43055 0.00415 -0.05018 -0.20187 -0.01736 163 4ZZ -0.21897 0.07837 -0.07604 0.09333 -0.04033 164 4XY -0.32669 -0.04843 -0.00962 0.02930 0.05423 165 4XZ 0.18698 0.00920 0.01108 -0.04267 0.07478 166 4YZ 0.00795 0.00932 -0.06400 -0.00083 0.37979 167 19 H 1S -0.30689 0.28824 -0.29208 0.17485 0.05341 168 2S -0.18556 -0.11213 0.03171 0.08608 -0.04303 169 20 H 1S 0.30592 0.28936 -0.29174 -0.17556 0.05185 170 2S 0.18592 -0.11137 0.03200 -0.08562 -0.04374 171 21 H 1S 0.00006 -0.00900 0.10249 0.00259 -0.54669 172 2S -0.00011 0.08890 0.07134 0.00122 -0.25234 173 22 O 1S -0.01321 0.00774 -0.01630 0.01387 0.01134 174 2S 0.01152 0.00663 -0.19190 -0.01399 -0.00659 175 2PX 0.03044 -0.01866 -0.01154 0.07748 -0.05562 176 2PY 0.18869 -0.00356 -0.01981 -0.11995 -0.02938 177 2PZ 0.06685 0.03466 -0.05053 -0.06843 0.19110 178 3S 0.17860 -0.12035 0.70934 -0.23129 -0.20675 179 3PX -0.12907 -0.18170 0.17135 -0.19947 -0.04891 180 3PY -0.25004 0.00759 0.20201 0.15553 -0.02045 181 3PZ -0.13399 0.05624 0.06293 0.13397 -0.42124 182 4XX 0.14418 -0.04556 -0.00564 -0.04898 0.08440 183 4YY -0.43055 0.00260 -0.05046 0.20199 -0.01549 184 4ZZ 0.21867 0.07917 -0.07592 -0.09299 -0.04121 185 4XY -0.32682 0.04731 0.00949 0.02983 -0.05407 186 4XZ -0.18701 0.00857 0.01101 0.04207 0.07514 187 4YZ 0.00799 -0.00932 0.06403 0.00283 -0.37977 188 23 H 1S 0.00007 -0.06167 0.01074 -0.00180 0.37932 189 2S -0.00009 0.03699 -0.07698 -0.00101 0.20250 141 142 143 144 145 V V V V V Eigenvalues -- 1.98887 2.01313 2.01545 2.02324 2.05922 1 1 C 1S -0.00520 -0.00911 -0.01022 0.01047 0.00449 2 2S -0.16791 -0.05596 -0.45347 0.05684 0.13611 3 2PX -0.02961 0.00741 -0.03160 0.05735 0.02364 4 2PY 0.01966 -0.04929 -0.08777 0.13755 0.01494 5 2PZ 0.06783 0.00319 0.12958 -0.01354 -0.02527 6 3S 0.57459 0.51106 1.61149 -0.49849 0.02167 7 3PX 0.16699 -0.06249 0.23855 -0.05904 -0.04207 8 3PY 0.11680 -0.02332 0.72188 -0.12657 -0.02141 9 3PZ -0.43372 -0.10633 -0.72418 0.11046 0.06427 10 4XX 0.01751 -0.04495 -0.01162 0.14844 0.13730 11 4YY -0.03035 0.03373 -0.09925 -0.15881 -0.07018 12 4ZZ -0.00115 0.00301 0.12502 0.04469 -0.03674 13 4XY -0.07730 0.07099 -0.07074 -0.17799 0.00418 14 4XZ -0.00847 -0.01086 -0.03019 0.10598 -0.00946 15 4YZ 0.00843 -0.22014 -0.09770 0.31598 -0.15623 16 2 C 1S 0.00521 -0.00912 0.01019 0.01050 0.00450 17 2S 0.16783 -0.05600 0.45309 0.05812 0.13626 18 2PX 0.02961 0.00741 0.03141 0.05743 0.02362 19 2PY 0.01971 0.04921 -0.08734 -0.13779 -0.01497 20 2PZ -0.06781 0.00321 -0.12946 -0.01387 -0.02529 21 3S -0.57442 0.51110 -1.61009 -0.50315 0.02115 22 3PX -0.16701 -0.06245 -0.23828 -0.05982 -0.04208 23 3PY 0.11689 0.02359 0.72160 0.12875 0.02162 24 3PZ 0.43382 -0.10657 0.72387 0.11263 0.06445 25 4XX -0.01751 -0.04492 0.01111 0.14847 0.13725 26 4YY 0.03052 0.03381 0.09988 -0.15866 -0.07013 27 4ZZ 0.00099 0.00289 -0.12525 0.04445 -0.03677 28 4XY -0.07737 -0.07092 -0.07126 0.17775 -0.00423 29 4XZ 0.00844 -0.01076 0.02982 0.10598 -0.00949 30 4YZ 0.00861 0.22006 -0.09682 -0.31623 0.15621 31 3 C 1S -0.00062 0.01474 0.00634 0.00004 0.00460 32 2S -0.18439 0.45761 -0.19258 -0.51582 0.22298 33 2PX -0.04814 -0.06367 -0.13148 0.00113 -0.08237 34 2PY 0.06248 -0.08320 0.04424 0.17177 -0.04163 35 2PZ 0.07032 0.05213 0.12482 -0.05510 0.09123 36 3S 0.44628 -1.01866 0.65406 0.77778 -0.39525 37 3PX 0.18161 0.21316 0.51804 0.00062 0.05744 38 3PY -0.10501 0.38773 -0.61709 -0.63783 0.20568 39 3PZ 0.04627 0.00711 -0.13107 0.17952 -0.02607 40 4XX 0.04962 0.01183 0.16387 0.04159 -0.02380 41 4YY 0.07478 0.08610 -0.13767 -0.07842 0.10065 42 4ZZ -0.09547 -0.10907 -0.00860 0.04630 -0.08261 43 4XY -0.17694 -0.05867 -0.26662 0.04068 0.03984 44 4XZ -0.08085 -0.05934 -0.16263 -0.13518 -0.05217 45 4YZ 0.01988 0.03152 0.12968 -0.06065 0.09208 46 4 C 1S -0.00109 0.00143 0.01903 0.01320 -0.00753 47 2S -0.28217 -0.11358 -0.29340 -0.03660 -0.18232 48 2PX 0.10844 -0.05578 0.18730 0.06134 0.01914 49 2PY 0.01494 0.06352 -0.02670 -0.03866 0.05950 50 2PZ -0.04208 -0.01770 -0.10360 -0.02977 -0.00693 51 3S 0.41088 0.30469 -0.32966 -0.27685 0.28758 52 3PX -0.47129 -0.10094 -0.56383 0.00222 -0.15069 53 3PY -0.23150 -0.07701 0.01810 0.06393 -0.08658 54 3PZ -0.19378 0.08551 -0.35646 -0.03730 0.13930 55 4XX 0.00100 -0.11590 -0.02661 0.07262 0.02105 56 4YY -0.04587 0.12615 -0.08931 0.02568 0.04506 57 4ZZ 0.07360 -0.01294 0.14681 -0.06912 -0.07475 58 4XY 0.10736 -0.05005 0.12043 -0.09289 -0.00887 59 4XZ -0.13485 -0.10823 -0.22169 -0.12202 -0.09112 60 4YZ 0.04292 -0.10006 0.22034 0.13455 0.02466 61 5 C 1S 0.00109 0.00142 -0.01906 0.01314 -0.00753 62 2S 0.28217 -0.11377 0.29372 -0.03576 -0.18219 63 2PX -0.10845 -0.05571 -0.18751 0.06081 0.01907 64 2PY 0.01492 -0.06356 -0.02673 0.03858 -0.05950 65 2PZ 0.04206 -0.01770 0.10366 -0.02946 -0.00690 66 3S -0.41107 0.30521 0.33000 -0.27585 0.28748 67 3PX 0.47134 -0.10134 0.56394 0.00376 -0.15023 68 3PY -0.23134 0.07741 0.01834 -0.06389 0.08660 69 3PZ 0.19384 0.08541 0.35634 -0.03636 0.13955 70 4XX -0.00115 -0.11585 0.02619 0.07268 0.02110 71 4YY 0.04602 0.12621 0.08938 0.02587 0.04509 72 4ZZ -0.07359 -0.01304 -0.14654 -0.06947 -0.07483 73 4XY 0.10745 0.04991 0.12027 0.09318 0.00889 74 4XZ 0.13495 -0.10840 0.22230 -0.12135 -0.09101 75 4YZ 0.04287 0.10002 0.22067 -0.13397 -0.02456 76 6 C 1S 0.00061 0.01473 -0.00635 0.00002 0.00460 77 2S 0.18449 0.45739 0.19386 -0.51529 0.22296 78 2PX 0.04813 -0.06370 0.13156 0.00151 -0.08230 79 2PY 0.06256 0.08314 0.04473 -0.17163 0.04168 80 2PZ -0.07022 0.05215 -0.12466 -0.05544 0.09119 81 3S -0.44616 -1.01817 -0.65555 0.77594 -0.39518 82 3PX -0.18157 0.21313 -0.51818 -0.00091 0.05715 83 3PY -0.10494 -0.38792 -0.61843 0.63602 -0.20581 84 3PZ -0.04652 0.00727 0.13051 0.17980 -0.02617 85 4XX -0.04958 0.01181 -0.16400 0.04117 -0.02383 86 4YY -0.07478 0.08627 0.13785 -0.07807 0.10067 87 4ZZ 0.09547 -0.10920 0.00857 0.04631 -0.08259 88 4XY -0.17696 0.05880 -0.26655 -0.04151 -0.03998 89 4XZ 0.08089 -0.05940 0.16311 -0.13466 -0.05207 90 4YZ 0.01981 -0.03151 0.12942 0.06100 -0.09213 91 7 H 1S 0.04973 -0.17147 -0.03605 0.27157 -0.08791 92 2S 0.11051 -0.01412 0.22769 -0.09384 0.00331 93 8 H 1S -0.04986 -0.17137 0.03526 0.27160 -0.08791 94 2S -0.11054 -0.01413 -0.22747 -0.09454 0.00327 95 9 H 1S -0.10079 -0.02987 0.15730 0.11922 -0.04988 96 2S 0.03318 -0.01625 0.14279 0.11918 -0.03544 97 10 H 1S -0.07764 -0.02699 -0.01550 0.12868 0.04155 98 2S -0.10540 -0.02559 -0.16157 -0.00549 0.01916 99 11 H 1S 0.07763 -0.02704 0.01501 0.12869 0.04163 100 2S 0.10539 -0.02554 0.16154 -0.00506 0.01926 101 12 H 1S 0.10085 -0.03013 -0.15751 0.11880 -0.04992 102 2S -0.03317 -0.01630 -0.14308 0.11872 -0.03551 103 13 H 1S -0.07543 0.12388 -0.18229 0.04223 0.00637 104 2S -0.14400 -0.06768 -0.17570 0.03240 0.00135 105 14 H 1S 0.07546 0.12381 0.18219 0.04272 0.00648 106 2S 0.14401 -0.06780 0.17563 0.03289 0.00150 107 15 C 1S -0.00011 -0.00262 0.00343 0.00581 0.00037 108 2S 0.11797 0.11002 -0.20847 0.31534 0.13552 109 2PX -0.05789 -0.21838 0.00451 -0.01540 0.01602 110 2PY -0.07314 0.00656 0.01039 -0.11370 -0.21803 111 2PZ 0.01390 0.05416 -0.08240 0.00485 -0.01431 112 3S 0.26873 0.47878 0.86032 -0.16275 0.05309 113 3PX -0.32144 0.42535 -0.55343 0.05162 -0.10782 114 3PY -0.12612 0.40157 -0.39988 0.35716 0.23040 115 3PZ 0.56254 -0.14313 0.93365 -0.26665 0.14253 116 4XX -0.09361 -0.12281 0.06509 -0.10385 0.35835 117 4YY 0.08767 0.03033 -0.03696 -0.12169 -0.43312 118 4ZZ 0.06313 0.13836 0.03929 0.21565 0.13681 119 4XY -0.06792 0.09604 -0.02835 0.01413 -0.02736 120 4XZ 0.14712 0.36570 0.15834 -0.07759 -0.04064 121 4YZ 0.03965 -0.18862 -0.08393 -0.14985 0.06898 122 16 C 1S 0.00012 -0.00262 -0.00344 0.00580 0.00038 123 2S -0.11786 0.10998 0.20782 0.31598 0.13578 124 2PX 0.05790 -0.21836 -0.00448 -0.01539 0.01605 125 2PY -0.07314 -0.00657 0.01002 0.11374 0.21804 126 2PZ -0.01391 0.05413 0.08242 0.00509 -0.01425 127 3S -0.26881 0.47943 -0.86014 -0.16531 0.05205 128 3PX 0.32137 0.42483 0.55331 0.05309 -0.10753 129 3PY -0.12616 -0.40115 -0.39891 -0.35826 -0.23072 130 3PZ -0.56260 -0.14260 -0.93319 -0.26941 0.14185 131 4XX 0.09353 -0.12284 -0.06501 -0.10403 0.35829 132 4YY -0.08766 0.03033 0.03747 -0.12159 -0.43310 133 4ZZ -0.06306 0.13844 -0.03991 0.21552 0.13680 134 4XY -0.06792 -0.09603 -0.02833 -0.01419 0.02741 135 4XZ -0.14714 0.36579 -0.15813 -0.07810 -0.04074 136 4YZ 0.03975 0.18866 -0.08420 0.14959 -0.06902 137 17 C 1S 0.00000 -0.03849 0.00005 -0.03330 -0.02136 138 2S 0.00002 -0.27299 0.00023 -0.17170 0.06525 139 2PX 0.00002 0.05864 -0.00008 0.05623 0.11815 140 2PY -0.28708 -0.00002 0.18093 0.00025 0.00005 141 2PZ 0.00000 0.04160 0.00002 0.00946 -0.13653 142 3S 0.00002 1.26713 -0.00153 1.06374 0.80363 143 3PX -0.00004 0.21510 -0.00023 0.16361 -0.28786 144 3PY 0.17174 0.00001 -0.08593 -0.00013 0.00000 145 3PZ 0.00004 -0.43098 -0.00032 0.27559 -0.56981 146 4XX -0.00002 0.11728 0.00014 -0.10979 0.06209 147 4YY -0.00003 -0.22077 0.00021 -0.19985 0.03671 148 4ZZ 0.00004 0.10268 -0.00043 0.36425 -0.07728 149 4XY 0.59540 -0.00002 -0.32178 -0.00043 -0.00007 150 4XZ 0.00002 -0.01892 -0.00015 0.07410 0.43816 151 4YZ -0.23819 -0.00002 0.14654 0.00019 0.00007 152 18 O 1S 0.02357 -0.00461 0.00011 -0.00233 0.02094 153 2S -0.04088 0.49065 0.33155 0.22897 0.15488 154 2PX 0.22162 0.13692 -0.07800 -0.06119 -0.18410 155 2PY 0.16827 -0.09250 -0.17415 -0.04746 -0.01823 156 2PZ -0.10058 -0.13849 -0.00950 0.03998 0.00373 157 3S -0.44161 -0.92249 -0.90074 -0.41867 -0.64917 158 3PX -0.39416 -0.09908 -0.05021 0.16854 0.32945 159 3PY -0.06769 0.19195 0.29971 0.08285 0.22377 160 3PZ 0.17566 0.18648 0.09298 -0.13940 0.14577 161 4XX 0.02032 0.00887 0.06578 0.02159 -0.03539 162 4YY 0.08981 0.17753 -0.00837 0.08562 0.05421 163 4ZZ -0.07287 -0.00094 0.09455 -0.03883 0.08685 164 4XY 0.25571 -0.04670 -0.05278 -0.07978 -0.16906 165 4XZ -0.08359 0.17508 0.03981 0.09831 -0.10847 166 4YZ -0.06882 0.01668 0.04314 0.16727 -0.14109 167 19 H 1S 0.15484 -0.26056 0.15233 -0.24544 0.08961 168 2S 0.15988 -0.21250 0.30057 -0.08042 -0.01848 169 20 H 1S -0.15496 -0.26043 -0.15182 -0.24587 0.08953 170 2S -0.15985 -0.21233 -0.30035 -0.08128 -0.01863 171 21 H 1S -0.00005 -0.14153 0.00052 -0.42739 0.21703 172 2S -0.00001 0.04162 0.00020 -0.14309 0.01803 173 22 O 1S -0.02357 -0.00461 -0.00012 -0.00233 0.02093 174 2S 0.04092 0.49082 -0.33217 0.22803 0.15465 175 2PX -0.22162 0.13695 0.07821 -0.06099 -0.18408 176 2PY 0.16828 0.09253 -0.17426 0.04698 0.01816 177 2PZ 0.10057 -0.13850 0.00934 0.04002 0.00374 178 3S 0.44160 -0.92309 0.90217 -0.41610 -0.64846 179 3PX 0.39418 -0.09922 0.04972 0.16872 0.32958 180 3PY -0.06767 -0.19211 0.30007 -0.08202 -0.22362 181 3PZ -0.17563 0.18655 -0.09254 -0.13966 0.14569 182 4XX -0.02027 0.00890 -0.06581 0.02143 -0.03542 183 4YY -0.08981 0.17756 0.00814 0.08564 0.05413 184 4ZZ 0.07282 -0.00092 -0.09451 -0.03912 0.08685 185 4XY 0.25573 0.04666 -0.05298 0.07963 0.16905 186 4XZ 0.08368 0.17508 -0.03995 0.09820 -0.10848 187 4YZ -0.06887 -0.01668 0.04356 -0.16713 0.14115 188 23 H 1S 0.00000 -0.22478 0.00021 -0.12278 -0.51866 189 2S -0.00002 -0.19379 0.00000 0.00347 -0.20168 146 147 148 149 150 V V V V V Eigenvalues -- 2.07781 2.09879 2.11357 2.18127 2.18377 1 1 C 1S 0.02663 -0.00199 0.00624 -0.01260 -0.00525 2 2S 0.33958 -0.27269 0.33470 -0.21386 -0.22731 3 2PX 0.00512 -0.02689 0.01677 -0.00063 0.01296 4 2PY 0.08334 -0.04659 0.14019 -0.00323 -0.03794 5 2PZ -0.04520 0.14365 -0.03896 0.06359 0.04013 6 3S -0.86880 0.87730 -0.15090 0.61100 -0.03985 7 3PX -0.17064 0.03736 0.03062 0.03778 0.03228 8 3PY -0.02456 0.07584 -0.18913 0.36618 0.16412 9 3PZ 0.54194 -0.35513 0.12234 -0.18071 -0.16666 10 4XX 0.23711 -0.08446 0.23577 -0.01520 -0.00647 11 4YY -0.02888 -0.10260 -0.29355 -0.02171 0.03568 12 4ZZ -0.17612 0.13771 0.10175 0.02593 -0.01714 13 4XY -0.00479 0.06091 -0.03387 0.08891 -0.07647 14 4XZ 0.20470 -0.23166 -0.11756 -0.01930 0.08761 15 4YZ -0.11679 0.04118 -0.09902 0.01399 0.15290 16 2 C 1S 0.02664 0.00195 0.00623 0.01262 -0.00521 17 2S 0.33995 0.27182 0.33512 0.21457 -0.22662 18 2PX 0.00515 0.02689 0.01681 0.00059 0.01296 19 2PY -0.08348 -0.04631 -0.14025 -0.00338 0.03794 20 2PZ -0.04530 -0.14354 -0.03925 -0.06369 0.04001 21 3S -0.87051 -0.87620 -0.15109 -0.61116 -0.04339 22 3PX -0.17078 -0.03720 0.03076 -0.03778 0.03169 23 3PY 0.02512 0.07561 0.18908 0.36666 -0.16272 24 3PZ 0.54246 0.35441 0.12251 0.18125 -0.16530 25 4XX 0.23715 0.08395 0.23598 0.01534 -0.00656 26 4YY -0.02876 0.10309 -0.29332 0.02154 0.03565 27 4ZZ -0.17629 -0.13779 0.10144 -0.02592 -0.01704 28 4XY 0.00481 0.06100 0.03387 0.08873 0.07675 29 4XZ 0.20506 0.23152 -0.11730 0.01898 0.08770 30 4YZ 0.11665 0.04081 0.09919 0.01442 -0.15284 31 3 C 1S -0.01122 -0.02605 0.00401 0.00985 -0.00957 32 2S -0.18338 -0.37220 -0.02294 0.02687 -0.20649 33 2PX -0.08802 0.08549 -0.05790 -0.05899 0.05216 34 2PY -0.02346 -0.05577 0.03376 0.01833 0.04116 35 2PZ 0.17752 0.06319 0.09850 0.07622 -0.08071 36 3S 0.92237 1.45801 -0.02946 -0.20778 0.36840 37 3PX 0.21538 -0.33220 -0.21380 0.09913 -0.12262 38 3PY -0.52872 -0.37113 0.22170 0.00009 -0.18707 39 3PZ 0.11624 -0.31026 -0.10764 -0.15529 0.08787 40 4XX 0.35927 0.22515 -0.07071 0.01220 -0.09760 41 4YY -0.18783 -0.14120 0.13511 -0.02312 0.01671 42 4ZZ -0.09862 -0.00955 -0.08631 0.01797 0.09492 43 4XY -0.17907 0.11076 0.08075 -0.05746 0.13029 44 4XZ -0.04880 0.24321 -0.06857 0.04751 0.00460 45 4YZ -0.06550 0.28372 0.07470 0.05161 0.06153 46 4 C 1S 0.02150 0.01304 -0.00922 -0.01408 0.00379 47 2S -0.34267 0.04314 -0.06432 -0.29366 0.12568 48 2PX 0.08349 0.04461 -0.00266 0.05945 -0.01192 49 2PY 0.08860 0.04302 0.01199 0.01025 -0.03248 50 2PZ -0.11468 -0.02509 0.03433 -0.01130 0.00193 51 3S -0.23173 -0.72804 0.22039 0.72372 -0.16243 52 3PX -0.28109 0.20105 0.15623 -0.30224 0.01886 53 3PY -0.19497 0.09841 -0.03556 -0.25812 0.08991 54 3PZ -0.14607 -0.12935 0.42360 0.00512 -0.19033 55 4XX -0.08172 -0.03377 0.28312 0.01400 -0.23821 56 4YY 0.25271 -0.07670 -0.02919 -0.03486 -0.02213 57 4ZZ -0.09745 0.12712 -0.28105 0.05363 0.25418 58 4XY -0.27463 0.19868 0.16410 0.08700 -0.06605 59 4XZ -0.16649 0.11219 -0.19503 -0.05886 0.09783 60 4YZ -0.15364 0.08844 0.29416 0.08356 -0.05522 61 5 C 1S 0.02148 -0.01304 -0.00924 0.01408 0.00381 62 2S -0.34285 -0.04275 -0.06431 0.29334 0.12636 63 2PX 0.08343 -0.04466 -0.00270 -0.05941 -0.01215 64 2PY -0.08863 0.04314 -0.01186 0.01018 0.03248 65 2PZ -0.11461 0.02512 0.03432 0.01127 0.00202 66 3S -0.23023 0.72781 0.22088 -0.72344 -0.16295 67 3PX -0.28105 -0.20100 0.15581 0.30231 0.01965 68 3PY 0.19548 0.09825 0.03561 -0.25782 -0.09035 69 3PZ -0.14583 0.12886 0.42401 -0.00442 -0.19022 70 4XX -0.08170 0.03352 0.28334 -0.01335 -0.23841 71 4YY 0.25293 0.07660 -0.02922 0.03499 -0.02198 72 4ZZ -0.09768 -0.12681 -0.28130 -0.05440 0.25416 73 4XY 0.27467 0.19855 -0.16362 0.08682 0.06610 74 4XZ -0.16677 -0.11181 -0.19492 0.05854 0.09793 75 4YZ 0.15365 0.08856 -0.29404 0.08331 0.05547 76 6 C 1S -0.01119 0.02605 0.00402 -0.00983 -0.00957 77 2S -0.18310 0.37229 -0.02279 -0.02649 -0.20588 78 2PX -0.08813 -0.08533 -0.05800 0.05884 0.05232 79 2PY 0.02339 -0.05576 -0.03389 0.01842 -0.04099 80 2PZ 0.17750 -0.06350 0.09841 -0.07596 -0.08097 81 3S 0.92088 -1.45876 -0.03050 0.20737 0.36685 82 3PX 0.21556 0.33219 -0.21344 -0.09895 -0.12306 83 3PY 0.52788 -0.37118 -0.22145 -0.00032 0.18579 84 3PZ 0.11625 0.31028 -0.10687 0.15498 0.08801 85 4XX 0.35890 -0.22529 -0.07097 -0.01191 -0.09779 86 4YY -0.18738 0.14121 0.13511 0.02309 0.01690 87 4ZZ -0.09873 0.00966 -0.08619 -0.01826 0.09484 88 4XY 0.17906 0.11059 -0.08062 -0.05714 -0.13054 89 4XZ -0.04897 -0.24318 -0.06892 -0.04756 0.00446 90 4YZ 0.06571 0.28373 -0.07418 0.05176 -0.06153 91 7 H 1S 0.05669 -0.15341 -0.10710 -0.02145 0.17803 92 2S -0.12336 0.05418 -0.00381 0.06342 0.03110 93 8 H 1S 0.05694 0.15354 -0.10691 0.02095 0.17801 94 2S -0.12352 -0.05407 -0.00383 -0.06350 0.03073 95 9 H 1S 0.11468 0.05371 -0.14773 0.02681 0.01513 96 2S 0.15979 -0.08827 -0.08760 0.03792 0.01544 97 10 H 1S -0.03986 -0.01044 0.38513 -0.04780 -0.18756 98 2S -0.01018 0.01246 0.04932 -0.05445 -0.01489 99 11 H 1S -0.03985 0.01005 0.38520 0.04842 -0.18754 100 2S -0.01010 -0.01251 0.04944 0.05451 -0.01484 101 12 H 1S 0.11432 -0.05354 -0.14763 -0.02689 0.01493 102 2S 0.15978 0.08825 -0.08733 -0.03801 0.01507 103 13 H 1S 0.31303 0.06340 -0.25204 0.03076 0.12824 104 2S 0.07909 -0.07995 -0.08674 -0.07616 0.01727 105 14 H 1S 0.31303 -0.06337 -0.25217 -0.03113 0.12829 106 2S 0.07925 0.08001 -0.08661 0.07608 0.01749 107 15 C 1S 0.00578 0.02893 0.00779 -0.02877 0.02942 108 2S 0.00949 0.76551 -0.02289 -0.46205 0.64006 109 2PX 0.09149 0.11849 -0.03403 0.15838 -0.04692 110 2PY 0.00966 0.02285 0.03321 -0.03096 -0.21278 111 2PZ -0.02814 0.09459 -0.00273 -0.19485 0.08568 112 3S -0.25043 -2.89451 -0.16591 1.89791 -0.66649 113 3PX -0.25271 0.01954 0.13980 -0.99671 0.25569 114 3PY -0.14575 0.70082 -0.10204 -1.06217 0.44566 115 3PZ 0.13754 -1.03920 -0.05208 1.16774 -0.54343 116 4XX 0.00959 -0.16342 0.00813 0.06188 0.16233 117 4YY 0.01748 -0.00213 0.04623 -0.00292 -0.24323 118 4ZZ -0.03166 0.03689 -0.02871 -0.09723 0.08460 119 4XY -0.06302 -0.14624 -0.05352 0.18459 -0.08377 120 4XZ -0.01773 -0.17527 0.13928 -0.41997 0.14824 121 4YZ 0.10721 -0.08405 -0.01982 0.15762 -0.10879 122 16 C 1S 0.00575 -0.02895 0.00775 0.02870 0.02949 123 2S 0.00882 -0.76547 -0.02387 0.46042 0.64109 124 2PX 0.09143 -0.11850 -0.03414 -0.15822 -0.04738 125 2PY -0.00964 0.02297 -0.03318 -0.03155 0.21270 126 2PZ -0.02823 -0.09457 -0.00288 0.19460 0.08621 127 3S -0.24780 2.89495 -0.16261 -1.89643 -0.67039 128 3PX -0.25288 -0.01961 0.13976 0.99599 0.25839 129 3PY 0.14647 0.70047 0.10276 -1.06084 -0.44806 130 3PZ 0.13852 1.03917 -0.05103 -1.16634 -0.54619 131 4XX 0.00974 0.16346 0.00837 -0.06243 0.16217 132 4YY 0.01749 0.00195 0.04623 0.00358 -0.24322 133 4ZZ -0.03171 -0.03677 -0.02883 0.09709 0.08490 134 4XY 0.06291 -0.14635 0.05332 0.18435 0.08416 135 4XZ -0.01761 0.17500 0.13923 0.41955 0.14958 136 4YZ -0.10727 -0.08401 0.01967 0.15734 0.10914 137 17 C 1S 0.01863 -0.00001 0.00407 0.00004 -0.03079 138 2S 0.03148 0.00019 -0.22071 0.00056 -0.43042 139 2PX -0.05173 0.00011 -0.08211 -0.00002 0.00008 140 2PY -0.00001 -0.03416 0.00001 -0.05470 -0.00009 141 2PZ 0.01722 -0.00005 0.03871 -0.00001 0.00805 142 3S -0.51327 0.00024 0.03352 -0.00156 1.07717 143 3PX 0.07722 -0.00043 0.42109 -0.00084 0.65770 144 3PY 0.00003 0.09429 0.00005 -0.02353 0.00001 145 3PZ 0.25647 -0.00021 0.06388 0.00063 -0.43037 146 4XX -0.00240 -0.00011 0.11606 -0.00047 0.36740 147 4YY 0.11647 -0.00017 0.18305 -0.00039 0.27677 148 4ZZ -0.11490 0.00028 -0.30114 0.00087 -0.64632 149 4XY -0.00003 -0.02033 -0.00003 0.21581 0.00032 150 4XZ -0.14180 0.00030 -0.25577 0.00024 -0.21014 151 4YZ -0.00010 -0.23772 -0.00012 0.44907 0.00055 152 18 O 1S 0.00551 -0.00817 0.00313 0.02036 0.01572 153 2S -0.23098 -0.33219 -0.12526 -0.13905 -0.13071 154 2PX -0.02426 -0.08200 0.09781 -0.11835 0.04682 155 2PY 0.04981 0.03849 0.07307 0.09826 0.11797 156 2PZ 0.01666 -0.01070 -0.01541 0.13597 -0.04541 157 3S 0.32554 1.10240 0.16964 -0.60066 0.03605 158 3PX -0.00375 0.45953 -0.07976 -0.11521 0.23714 159 3PY -0.07778 -0.17813 -0.05961 0.03164 -0.03154 160 3PZ -0.03364 -0.04649 -0.07427 -0.14761 -0.00041 161 4XX 0.09912 -0.04737 0.09334 0.18035 0.18983 162 4YY -0.07657 -0.12084 -0.02469 -0.04086 -0.01821 163 4ZZ -0.07080 0.02975 -0.08802 -0.13062 -0.15109 164 4XY 0.06338 -0.01722 0.07986 0.13637 -0.01712 165 4XZ 0.01971 0.05392 0.03818 -0.16329 0.15406 166 4YZ 0.03490 -0.11023 0.03163 0.27244 0.04348 167 19 H 1S 0.16204 -0.01994 0.03467 0.15649 -0.06281 168 2S 0.11903 -0.14075 0.01708 0.49122 -0.22335 169 20 H 1S 0.16210 0.01977 0.03462 -0.15634 -0.06319 170 2S 0.11915 0.14060 0.01723 -0.49052 -0.22461 171 21 H 1S 0.04589 -0.00010 0.11307 -0.00041 0.31251 172 2S -0.04621 0.00005 -0.02951 0.00002 -0.02119 173 22 O 1S 0.00552 0.00816 0.00314 -0.02040 0.01566 174 2S -0.23066 0.33257 -0.12504 0.13927 -0.13013 175 2PX -0.02417 0.08181 0.09785 0.11825 0.04718 176 2PY -0.04980 0.03865 -0.07311 0.09855 -0.11763 177 2PZ 0.01668 0.01075 -0.01534 -0.13583 -0.04580 178 3S 0.32448 -1.10295 0.16858 0.60087 0.03722 179 3PX -0.00420 -0.45929 -0.08024 0.11457 0.23726 180 3PY 0.07762 -0.17833 0.05955 0.03164 0.03149 181 3PZ -0.03362 0.04660 -0.07427 0.14758 -0.00001 182 4XX 0.09916 0.04712 0.09343 -0.18088 0.18934 183 4YY -0.07645 0.12095 -0.02454 0.04081 -0.01806 184 4ZZ -0.07083 -0.02952 -0.08816 0.13109 -0.15070 185 4XY -0.06341 -0.01700 -0.07986 0.13629 0.01744 186 4XZ 0.01960 -0.05404 0.03803 0.16287 0.15455 187 4YZ -0.03503 -0.11013 -0.03177 0.27257 -0.04282 188 23 H 1S 0.22728 -0.00033 0.24595 -0.00001 0.05415 189 2S 0.11546 -0.00016 0.09602 0.00011 -0.06345 151 152 153 154 155 V V V V V Eigenvalues -- 2.23782 2.26188 2.27816 2.27959 2.31626 1 1 C 1S -0.00645 -0.00849 -0.00425 0.02783 0.00785 2 2S -0.14679 -0.39005 0.05027 0.38676 0.16105 3 2PX 0.02357 -0.01836 0.03618 0.07388 0.01291 4 2PY -0.03848 -0.09388 0.00254 -0.07266 -0.00569 5 2PZ -0.03578 0.09664 -0.04414 -0.05667 0.06056 6 3S 1.49934 0.43068 0.06302 -2.98746 -1.41704 7 3PX 0.45468 -0.09544 0.02107 -0.60694 0.09638 8 3PY 0.53436 0.04493 -0.06950 -1.03349 -0.66570 9 3PZ -0.43622 -0.26849 0.04745 1.62250 0.77885 10 4XX 0.25730 -0.27223 0.05676 0.14997 0.08172 11 4YY 0.02019 0.19175 -0.01949 -0.07051 -0.03664 12 4ZZ -0.20385 0.09429 -0.04978 -0.11152 -0.12974 13 4XY 0.19452 0.04892 -0.06210 0.39412 0.33615 14 4XZ -0.20461 0.14843 -0.11400 0.06648 -0.35843 15 4YZ 0.02496 0.02062 0.03407 0.03781 0.18231 16 2 C 1S 0.00645 -0.00849 -0.00409 -0.02785 -0.00789 17 2S 0.14710 -0.38987 0.05232 -0.38688 -0.16166 18 2PX -0.02359 -0.01830 0.03657 -0.07369 -0.01269 19 2PY -0.03858 0.09386 -0.00215 -0.07253 -0.00523 20 2PZ 0.03571 0.09657 -0.04438 0.05657 -0.06053 21 3S -1.49920 0.42982 0.04630 2.98779 1.41832 22 3PX -0.45466 -0.09571 0.01775 0.60690 -0.09592 23 3PY 0.53475 -0.04479 0.07530 -1.03356 -0.66609 24 3PZ 0.43620 -0.26790 0.05648 -1.62213 -0.77931 25 4XX -0.25728 -0.27222 0.05759 -0.14965 -0.08170 26 4YY -0.02046 0.19184 -0.01992 0.07064 0.03733 27 4ZZ 0.20409 0.09421 -0.05036 0.11099 0.12888 28 4XY 0.19444 -0.04903 0.05983 0.39457 0.33684 29 4XZ 0.20463 0.14857 -0.11374 -0.06726 0.35727 30 4YZ 0.02506 -0.02067 -0.03431 0.03762 0.18216 31 3 C 1S -0.00552 0.00536 0.00952 0.03402 0.00914 32 2S -0.41073 0.13873 -0.07641 0.39079 0.43275 33 2PX -0.01151 0.03073 -0.00420 -0.00372 -0.00154 34 2PY 0.10836 0.00058 0.03928 -0.01195 -0.07788 35 2PZ 0.01846 -0.06478 -0.00167 -0.10893 -0.08133 36 3S 1.17801 -0.46735 -0.07556 -2.70842 -1.26043 37 3PX 0.48208 0.32891 -0.09186 -0.41758 0.13392 38 3PY -0.98246 -0.22498 -0.01880 1.54201 0.75016 39 3PZ 0.20225 0.05043 -0.01232 -0.05360 0.20862 40 4XX 0.17379 0.21914 0.03633 -0.36087 -0.08140 41 4YY -0.23213 -0.31133 0.10577 0.07280 0.01471 42 4ZZ 0.10884 0.07229 -0.10241 0.20716 -0.01189 43 4XY -0.24420 -0.18389 0.12527 0.10310 -0.24176 44 4XZ 0.04090 0.04973 -0.06680 -0.00007 0.11197 45 4YZ -0.18039 -0.17581 0.04775 0.05686 0.06913 46 4 C 1S 0.02870 0.01046 -0.00114 -0.03967 0.00485 47 2S 0.20216 0.03189 -0.03545 -0.26154 -0.17682 48 2PX 0.04019 0.03763 -0.00629 -0.06890 -0.02009 49 2PY -0.01779 -0.02670 0.00397 -0.02157 0.08008 50 2PZ -0.05574 0.02804 -0.00802 0.06288 0.00309 51 3S -1.56284 -0.13272 0.08911 2.23804 0.71359 52 3PX -0.03503 0.09377 -0.07211 -0.37527 -0.17388 53 3PY 0.42451 0.03989 0.02405 -0.42915 0.10849 54 3PZ -0.23582 -0.12589 0.01031 0.53018 -0.13374 55 4XX 0.11323 0.39864 -0.11439 -0.26736 0.01979 56 4YY -0.04732 0.01874 -0.00775 0.08583 -0.17170 57 4ZZ -0.08154 -0.38773 0.13420 0.18347 0.23222 58 4XY -0.19793 0.12522 -0.07715 0.24112 -0.15635 59 4XZ -0.18570 0.08530 -0.06171 -0.08941 0.19378 60 4YZ -0.20733 0.03049 -0.02879 0.28750 -0.10467 61 5 C 1S -0.02871 0.01043 -0.00137 0.03968 -0.00488 62 2S -0.20228 0.03184 -0.03692 0.26149 0.17722 63 2PX -0.04022 0.03759 -0.00671 0.06894 0.02005 64 2PY -0.01785 0.02678 -0.00385 -0.02149 0.08027 65 2PZ 0.05583 0.02809 -0.00768 -0.06296 -0.00308 66 3S 1.56325 -0.13166 0.10187 -2.23799 -0.71337 67 3PX 0.03498 0.09331 -0.07419 0.37506 0.17342 68 3PY 0.42460 -0.03959 -0.02161 -0.42944 0.10844 69 3PZ 0.23601 -0.12531 0.01332 -0.53019 0.13359 70 4XX -0.11301 0.39856 -0.11592 0.26691 -0.01938 71 4YY 0.04723 0.01882 -0.00724 -0.08582 0.17100 72 4ZZ 0.08141 -0.38778 0.13522 -0.18296 -0.23209 73 4XY -0.19802 -0.12536 0.07586 0.24157 -0.15632 74 4XZ 0.18558 0.08529 -0.06229 0.08922 -0.19370 75 4YZ -0.20763 -0.03083 0.02739 0.28787 -0.10439 76 6 C 1S 0.00553 0.00538 0.00972 -0.03398 -0.00912 77 2S 0.41092 0.13881 -0.07405 -0.39130 -0.43270 78 2PX 0.01149 0.03069 -0.00423 0.00370 0.00152 79 2PY 0.10833 -0.00063 -0.03916 -0.01211 -0.07780 80 2PZ -0.01842 -0.06477 -0.00228 0.10890 0.08119 81 3S -1.17866 -0.46862 -0.09100 2.70838 1.25943 82 3PX -0.48217 0.32863 -0.09418 0.41740 -0.13442 83 3PY -0.98274 0.22438 0.00996 1.54246 0.74933 84 3PZ -0.20223 0.05045 -0.01261 0.05342 -0.20908 85 4XX -0.17397 0.21912 0.03435 0.36150 0.08244 86 4YY 0.23217 -0.31136 0.10617 -0.07246 -0.01452 87 4ZZ -0.10874 0.07232 -0.10128 -0.20789 0.01068 88 4XY -0.24403 0.18366 -0.12581 0.10233 -0.24280 89 4XZ -0.04070 0.04979 -0.06669 -0.00052 -0.11280 90 4YZ -0.18049 0.17598 -0.04815 0.05682 0.06944 91 7 H 1S -0.02390 -0.00354 -0.00471 -0.13773 -0.13558 92 2S 0.16806 0.03387 -0.04888 -0.46602 -0.18531 93 8 H 1S 0.02371 -0.00355 -0.00551 0.13774 0.13560 94 2S -0.16808 0.03373 -0.05145 0.46577 0.18545 95 9 H 1S 0.20455 0.25645 -0.03172 -0.10138 -0.07088 96 2S 0.22777 0.13077 0.01009 -0.32832 -0.13309 97 10 H 1S 0.06433 0.21002 -0.07530 -0.05469 -0.27878 98 2S 0.03951 -0.12942 -0.01673 -0.00640 -0.07744 99 11 H 1S -0.06397 0.21017 -0.07570 0.05422 0.27839 100 2S -0.03957 -0.12931 -0.01669 0.00628 0.07744 101 12 H 1S -0.20462 0.25648 -0.03229 0.10142 0.07087 102 2S -0.22780 0.13065 0.00821 0.32845 0.13275 103 13 H 1S -0.21147 -0.23721 0.09611 0.07678 0.00345 104 2S -0.02521 0.05157 0.00378 0.05065 0.07183 105 14 H 1S 0.21120 -0.23722 0.09649 -0.07629 -0.00340 106 2S 0.02517 0.05145 0.00413 -0.05054 -0.07156 107 15 C 1S -0.01495 0.00361 0.01780 -0.01595 -0.00403 108 2S -0.27188 0.32047 0.13331 -0.31264 0.15411 109 2PX 0.02222 -0.03439 0.07136 0.03359 -0.05159 110 2PY -0.03727 -0.14730 -0.10654 -0.01108 -0.00858 111 2PZ -0.05504 0.06929 -0.01749 -0.03514 0.07479 112 3S 0.87154 -0.06984 -0.34049 1.37773 -0.27124 113 3PX -0.17284 0.29464 0.21165 -0.07771 0.39897 114 3PY -0.18059 0.40723 0.11567 -0.43336 0.34143 115 3PZ 0.28415 -0.23870 -0.05276 0.47089 -0.22010 116 4XX 0.07197 0.00455 -0.28149 0.07791 -0.09108 117 4YY 0.03124 -0.19721 -0.10249 0.01243 0.01279 118 4ZZ -0.09182 0.16860 0.42910 -0.05068 0.04913 119 4XY -0.17032 0.08354 0.13949 -0.15331 0.14697 120 4XZ -0.19341 0.05500 0.02374 0.02647 0.22284 121 4YZ -0.09597 -0.03702 0.00892 -0.13039 0.07106 122 16 C 1S 0.01494 0.00360 0.01770 0.01606 0.00404 123 2S 0.27150 0.32026 0.13153 0.31367 -0.15397 124 2PX -0.02222 -0.03435 0.07156 -0.03321 0.05169 125 2PY -0.03740 0.14731 0.10661 -0.01039 -0.00858 126 2PZ 0.05501 0.06927 -0.01769 0.03506 -0.07483 127 3S -0.87120 -0.06883 -0.33258 -1.37982 0.27089 128 3PX 0.17283 0.29437 0.21118 0.07895 -0.39917 129 3PY -0.18027 -0.40685 -0.11317 -0.43427 0.34148 130 3PZ -0.28383 -0.23838 -0.05007 -0.47141 0.21996 131 4XX -0.07207 0.00459 -0.28107 -0.07942 0.09115 132 4YY -0.03112 -0.19720 -0.10242 -0.01308 -0.01271 133 4ZZ 0.09184 0.16857 0.42882 0.05306 -0.04935 134 4XY -0.17039 -0.08340 -0.13871 -0.15408 0.14709 135 4XZ 0.19338 0.05490 0.02382 -0.02634 -0.22280 136 4YZ -0.09604 0.03710 -0.00825 -0.13038 0.07112 137 17 C 1S 0.00001 -0.02076 0.00193 0.00000 0.00000 138 2S 0.00005 -0.16655 -0.25772 -0.00080 -0.00003 139 2PX -0.00001 0.04609 -0.09851 -0.00027 -0.00003 140 2PY -0.01202 0.00000 0.00000 0.00286 0.00339 141 2PZ 0.00000 0.00941 0.03886 0.00010 -0.00001 142 3S -0.00019 0.59079 0.04402 0.00037 -0.00003 143 3PX -0.00010 0.13836 0.11244 0.00044 0.00011 144 3PY 0.02059 0.00001 0.00008 -0.01961 -0.07512 145 3PZ 0.00008 -0.51491 -0.29645 -0.00090 0.00021 146 4XX -0.00009 0.09824 -0.16336 -0.00037 0.00007 147 4YY 0.00000 0.13501 0.16098 0.00051 -0.00003 148 4ZZ 0.00009 -0.25351 0.02483 -0.00007 -0.00001 149 4XY -0.06903 0.00003 0.00009 -0.02991 0.01262 150 4XZ 0.00000 -0.12506 -0.41501 -0.00115 0.00009 151 4YZ -0.30631 0.00013 0.00045 -0.18061 0.26779 152 18 O 1S 0.01239 0.00444 -0.00625 0.00401 -0.01623 153 2S -0.03738 -0.00591 -0.18345 0.11809 0.13118 154 2PX -0.06426 0.03389 0.06746 0.03192 0.09283 155 2PY 0.05318 0.03877 0.05757 0.02403 -0.06826 156 2PZ 0.02213 -0.04175 -0.02263 0.01162 -0.02138 157 3S -0.28099 -0.04481 0.43845 -0.47328 0.11587 158 3PX -0.01133 0.09519 0.00139 -0.18738 -0.12817 159 3PY -0.01963 -0.01324 -0.15677 0.03050 0.01868 160 3PZ 0.11919 0.05757 -0.09014 0.06416 -0.08305 161 4XX -0.02311 -0.11911 -0.39471 -0.04809 -0.02093 162 4YY 0.06200 -0.00257 -0.03044 0.08218 -0.00977 163 4ZZ -0.02275 0.12689 0.36580 -0.01272 0.00321 164 4XY -0.08478 -0.00347 0.07816 -0.07065 0.08442 165 4XZ -0.15868 -0.00968 -0.30304 -0.16404 0.12813 166 4YZ -0.12182 -0.04303 -0.14698 -0.05310 0.12235 167 19 H 1S -0.04525 -0.13421 -0.09918 -0.01141 -0.03297 168 2S 0.06066 -0.12921 0.02331 0.07261 -0.17656 169 20 H 1S 0.04530 -0.13423 -0.09926 0.01077 0.03302 170 2S -0.06051 -0.12914 0.02372 -0.07254 0.17654 171 21 H 1S -0.00005 0.17708 -0.00128 0.00006 -0.00002 172 2S 0.00000 0.09390 0.15813 0.00042 -0.00007 173 22 O 1S -0.01239 0.00445 -0.00623 -0.00404 0.01622 174 2S 0.03746 -0.00588 -0.18279 -0.11912 -0.13119 175 2PX 0.06429 0.03386 0.06764 -0.03154 -0.09282 176 2PY 0.05322 -0.03880 -0.05770 0.02367 -0.06828 177 2PZ -0.02210 -0.04175 -0.02255 -0.01177 0.02140 178 3S 0.28090 -0.04520 0.43578 0.47562 -0.11572 179 3PX 0.01116 0.09514 0.00033 0.18750 0.12820 180 3PY -0.01967 0.01321 0.15659 0.03140 0.01875 181 3PZ -0.11924 0.05770 -0.08982 -0.06461 0.08292 182 4XX 0.02294 -0.11913 -0.39491 0.04597 0.02116 183 4YY -0.06195 -0.00253 -0.03004 -0.08233 0.00974 184 4ZZ 0.02286 0.12691 0.36572 0.01467 -0.00349 185 4XY -0.08485 0.00353 -0.07779 -0.07107 0.08449 186 4XZ 0.15854 -0.00980 -0.30398 0.16243 -0.12807 187 4YZ -0.12177 0.04311 0.14718 -0.05236 0.12217 188 23 H 1S 0.00002 -0.03459 0.21444 0.00057 -0.00001 189 2S 0.00001 -0.19417 -0.13970 -0.00039 0.00013 156 157 158 159 160 V V V V V Eigenvalues -- 2.31861 2.37238 2.41459 2.44860 2.45988 1 1 C 1S -0.01389 -0.00046 0.02119 0.02171 0.01323 2 2S -0.19124 -0.19494 0.13239 0.14259 0.00306 3 2PX 0.07005 -0.00134 0.01408 0.00983 -0.00460 4 2PY -0.14399 0.04810 -0.14063 -0.00512 -0.02415 5 2PZ 0.01718 0.09992 -0.10349 -0.01276 0.03382 6 3S 0.38421 0.42319 -0.31393 -0.75897 -0.57120 7 3PX 0.16640 -0.00432 -0.11298 -0.10215 -0.02950 8 3PY 0.08020 -0.10531 -0.32850 0.11482 0.19364 9 3PZ -0.14943 -0.45746 0.21099 0.39504 0.18558 10 4XX -0.03210 -0.06884 0.25861 0.15980 0.10672 11 4YY 0.23302 -0.08409 -0.17470 0.11140 0.09015 12 4ZZ -0.25336 0.11741 -0.06470 -0.27112 -0.18661 13 4XY -0.19132 0.00247 -0.39762 -0.04996 -0.07078 14 4XZ -0.35880 0.21511 -0.13253 0.15062 0.12164 15 4YZ 0.01973 0.24316 -0.27186 0.06899 0.05065 16 2 C 1S -0.01386 0.00046 -0.02120 0.02172 0.01323 17 2S -0.19071 0.19504 -0.13223 0.14296 0.00323 18 2PX 0.07013 0.00139 -0.01411 0.00983 -0.00459 19 2PY 0.14393 0.04808 -0.14073 0.00512 0.02412 20 2PZ 0.01749 -0.09995 0.10344 -0.01292 0.03376 21 3S 0.37795 -0.42313 0.31433 -0.75831 -0.57108 22 3PX 0.16622 0.00432 0.11290 -0.10177 -0.02940 23 3PY -0.07745 -0.10513 -0.32825 -0.11444 -0.19353 24 3PZ -0.14633 0.45758 -0.21106 0.39445 0.18553 25 4XX -0.03201 0.06883 -0.25879 0.15981 0.10667 26 4YY 0.23280 0.08416 0.17446 0.11139 0.09020 27 4ZZ -0.25359 -0.11751 0.06513 -0.27116 -0.18664 28 4XY 0.18993 0.00251 -0.39766 0.04972 0.07066 29 4XZ -0.35969 -0.21529 0.13255 0.15075 0.12158 30 4YZ -0.02060 0.24320 -0.27188 -0.06920 -0.05076 31 3 C 1S 0.00687 -0.00116 -0.04134 -0.04629 -0.04082 32 2S 0.03919 -0.08514 -0.23408 -0.11298 -0.13572 33 2PX -0.00228 -0.03654 0.17536 0.06179 0.05386 34 2PY -0.02350 -0.01563 0.00071 -0.06384 -0.04932 35 2PZ -0.04305 0.06767 -0.20424 -0.03160 -0.03704 36 3S -0.34306 0.97657 1.35178 1.44769 1.20361 37 3PX -0.18388 0.13991 0.40475 0.23115 0.07869 38 3PY 0.20053 -0.25241 -0.54473 -0.40100 -0.31076 39 3PZ -0.08037 -0.16984 -0.13635 0.04427 0.04117 40 4XX 0.38364 -0.01973 -0.22998 -0.20331 -0.10582 41 4YY -0.00982 0.27803 -0.03633 0.38109 0.18571 42 4ZZ -0.37487 -0.17820 0.21998 -0.19997 -0.10054 43 4XY 0.31117 -0.12085 -0.19698 -0.27605 -0.14398 44 4XZ -0.27675 -0.12368 -0.06727 -0.25985 -0.20486 45 4YZ -0.12017 0.24567 0.02871 -0.03958 -0.02795 46 4 C 1S -0.00987 0.04396 0.06534 0.02765 0.01967 47 2S 0.11112 0.18033 0.40565 0.12447 0.14314 48 2PX -0.00154 0.00908 0.05070 0.04274 0.03776 49 2PY -0.06546 0.06962 0.10563 -0.02614 -0.04188 50 2PZ 0.01188 -0.04650 -0.02773 -0.07771 -0.05034 51 3S 0.08638 -1.42303 -2.42042 -0.74677 -0.59048 52 3PX -0.12407 0.47680 0.45704 0.37587 0.28644 53 3PY 0.04184 0.52442 0.55098 -0.08886 -0.04091 54 3PZ -0.02815 -0.39731 -0.84773 -0.25890 -0.22584 55 4XX 0.18761 0.02672 -0.01776 0.04508 0.05101 56 4YY -0.19277 -0.18657 -0.25467 0.11318 0.04788 57 4ZZ -0.04019 0.19251 0.30052 -0.14128 -0.10803 58 4XY 0.00199 -0.41661 0.17634 0.07153 0.07444 59 4XZ -0.02217 0.23419 0.40866 0.33657 0.26543 60 4YZ -0.13192 0.15100 -0.11104 -0.03617 -0.03398 61 5 C 1S -0.00990 -0.04396 -0.06535 0.02763 0.01966 62 2S 0.11026 -0.18041 -0.40573 0.12455 0.14308 63 2PX -0.00167 -0.00912 -0.05076 0.04282 0.03780 64 2PY 0.06526 0.06963 0.10561 0.02626 0.04190 65 2PZ 0.01193 0.04645 0.02773 -0.07772 -0.05033 66 3S 0.09093 1.42319 2.42080 -0.74724 -0.59029 67 3PX -0.12499 -0.47709 -0.45738 0.37544 0.28620 68 3PY -0.04170 0.52453 0.55118 0.08872 0.04095 69 3PZ -0.02810 0.39711 0.84768 -0.25898 -0.22574 70 4XX 0.18734 -0.02659 0.01770 0.04441 0.05082 71 4YY -0.19308 0.18654 0.25460 0.11350 0.04797 72 4ZZ -0.03935 -0.19260 -0.30041 -0.14104 -0.10796 73 4XY -0.00159 -0.41661 0.17626 -0.07113 -0.07436 74 4XZ -0.02162 -0.23418 -0.40886 0.33626 0.26536 75 4YZ 0.13182 0.15093 -0.11138 0.03601 0.03384 76 6 C 1S 0.00695 0.00117 0.04138 -0.04632 -0.04083 77 2S 0.04098 0.08512 0.23402 -0.11412 -0.13601 78 2PX -0.00238 0.03651 -0.17542 0.06172 0.05384 79 2PY 0.02380 -0.01565 0.00066 0.06359 0.04925 80 2PZ -0.04323 -0.06763 0.20424 -0.03150 -0.03699 81 3S -0.34907 -0.97677 -1.35248 1.44990 1.20406 82 3PX -0.18405 -0.14004 -0.40493 0.23082 0.07855 83 3PY -0.20429 -0.25236 -0.54486 0.40232 0.31103 84 3PZ -0.07986 0.16984 0.13621 0.04474 0.04128 85 4XX 0.38320 0.02003 0.22982 -0.20315 -0.10577 86 4YY -0.00936 -0.27807 0.03621 0.38107 0.18569 87 4ZZ -0.37511 0.17798 -0.21967 -0.19987 -0.10053 88 4XY -0.31070 -0.12109 -0.19711 0.27577 0.14390 89 4XZ -0.27626 0.12363 0.06767 -0.25987 -0.20486 90 4YZ 0.11963 0.24577 0.02844 0.03960 0.02800 91 7 H 1S -0.00727 0.15577 -0.08281 0.16549 0.16419 92 2S 0.03409 -0.02843 -0.13020 -0.09797 -0.01910 93 8 H 1S -0.00765 -0.15586 0.08266 0.16560 0.16418 94 2S 0.03325 0.02838 0.13019 -0.09786 -0.01906 95 9 H 1S 0.03996 -0.18853 -0.01139 -0.30293 -0.18061 96 2S -0.08609 0.06070 0.08214 0.13049 0.07493 97 10 H 1S -0.05940 -0.05082 -0.15299 0.04292 0.02694 98 2S -0.01983 -0.04192 -0.03881 0.00948 0.00227 99 11 H 1S -0.06029 0.05071 0.15299 0.04288 0.02697 100 2S -0.02013 0.04195 0.03881 0.00950 0.00224 101 12 H 1S 0.03948 0.18864 0.01152 -0.30284 -0.18060 102 2S -0.08680 -0.06071 -0.08222 0.13076 0.07498 103 13 H 1S -0.03995 -0.10051 -0.04579 -0.08624 -0.07780 104 2S 0.09406 0.14571 -0.05681 -0.04094 -0.01088 105 14 H 1S -0.03993 0.10065 0.04590 -0.08672 -0.07786 106 2S 0.09432 -0.14570 0.05677 -0.04108 -0.01102 107 15 C 1S 0.00094 -0.00844 0.00472 0.00020 0.01215 108 2S 0.03935 -0.36728 -0.19121 -0.20376 0.12877 109 2PX 0.01676 0.01829 0.02790 -0.02969 -0.03587 110 2PY 0.00404 -0.02379 -0.00946 0.04377 -0.06308 111 2PZ -0.00477 -0.07997 -0.06928 -0.02480 0.00160 112 3S -0.05925 1.19234 0.22198 0.17442 -0.29019 113 3PX -0.05295 -0.19474 -0.02678 0.07233 0.08974 114 3PY -0.00568 -0.59584 -0.14968 -0.02020 0.03928 115 3PZ -0.04696 0.35976 0.08319 0.10464 -0.26506 116 4XX 0.03407 0.12236 0.08448 -0.14953 0.21448 117 4YY 0.02131 0.01840 -0.00073 0.06698 -0.04078 118 4ZZ -0.07672 -0.06587 -0.03483 0.15169 -0.17600 119 4XY -0.03665 -0.06407 -0.01412 0.02651 -0.02750 120 4XZ 0.00085 -0.09707 -0.02488 -0.08343 0.13306 121 4YZ -0.02126 0.01504 0.01859 0.00592 -0.03209 122 16 C 1S 0.00091 0.00843 -0.00473 0.00026 0.01216 123 2S 0.03969 0.36720 0.19118 -0.20270 0.12923 124 2PX 0.01664 -0.01829 -0.02791 -0.02976 -0.03593 125 2PY -0.00400 -0.02384 -0.00950 -0.04390 0.06305 126 2PZ -0.00455 0.07997 0.06929 -0.02460 0.00170 127 3S -0.05927 -1.19228 -0.22198 0.17017 -0.29151 128 3PX -0.05185 0.19465 0.02671 0.07263 0.08975 129 3PY 0.00494 -0.59572 -0.14955 0.01851 -0.03977 130 3PZ -0.04734 -0.35972 -0.08316 0.10302 -0.26561 131 4XX 0.03379 -0.12234 -0.08444 -0.14959 0.21450 132 4YY 0.02137 -0.01836 0.00075 0.06685 -0.04082 133 4ZZ -0.07657 0.06581 0.03477 0.15172 -0.17609 134 4XY 0.03630 -0.06403 -0.01409 -0.02649 0.02741 135 4XZ 0.00157 0.09703 0.02486 -0.08348 0.13310 136 4YZ 0.02116 0.01504 0.01860 -0.00575 0.03209 137 17 C 1S -0.00062 0.00000 0.00000 0.01083 -0.00765 138 2S 0.01175 0.00004 0.00004 -0.07479 -0.05415 139 2PX 0.00218 0.00000 0.00002 -0.07598 0.00538 140 2PY -0.00001 -0.00351 -0.03749 -0.00002 -0.00002 141 2PZ -0.00922 0.00000 -0.00001 0.01258 0.00981 142 3S -0.01665 -0.00009 0.00003 -0.27374 0.26604 143 3PX 0.04759 -0.00003 -0.00002 0.04691 -0.01667 144 3PY 0.00012 0.00975 -0.00783 -0.00009 -0.00002 145 3PZ 0.09343 0.00007 0.00003 0.08569 -0.16210 146 4XX 0.06692 0.00000 -0.00005 0.29414 -0.46655 147 4YY -0.00045 0.00001 -0.00001 -0.02650 0.07556 148 4ZZ -0.05760 -0.00001 0.00004 -0.24271 0.40604 149 4XY -0.00002 -0.08096 -0.05166 -0.00017 -0.00003 150 4XZ 0.08174 0.00004 -0.00004 0.31884 -0.50130 151 4YZ -0.00036 -0.23646 -0.05628 -0.00015 -0.00006 152 18 O 1S -0.00185 0.00997 0.00039 -0.00029 -0.00139 153 2S 0.00600 -0.05963 -0.09269 -0.04572 -0.07376 154 2PX 0.00120 -0.06187 -0.03363 0.03637 -0.04353 155 2PY 0.00546 0.02890 0.01154 0.01816 -0.00047 156 2PZ 0.00470 0.01780 0.01646 0.01283 -0.04423 157 3S 0.01041 -0.20606 0.11741 0.07786 0.24057 158 3PX 0.01107 0.02381 0.06050 -0.19581 0.30166 159 3PY -0.00920 0.02848 -0.04080 -0.07139 -0.04065 160 3PZ -0.01456 0.07309 -0.01736 -0.08164 0.13221 161 4XX 0.08085 -0.01575 0.01843 -0.08882 0.09031 162 4YY -0.00843 0.03684 0.02050 -0.00531 0.05416 163 4ZZ -0.08881 0.00528 -0.04707 0.09343 -0.14421 164 4XY -0.02159 -0.07590 -0.02413 0.19280 -0.25647 165 4XZ 0.04346 -0.15691 -0.10814 -0.00717 -0.00233 166 4YZ 0.06582 -0.12431 -0.02266 0.22352 -0.34934 167 19 H 1S 0.00801 0.04337 0.02870 -0.08299 0.05799 168 2S -0.01547 0.13927 0.05035 0.05023 -0.09718 169 20 H 1S 0.00792 -0.04334 -0.02865 -0.08312 0.05800 170 2S -0.01599 -0.13927 -0.05034 0.04977 -0.09733 171 21 H 1S 0.02420 0.00000 -0.00004 0.21055 -0.31980 172 2S -0.04647 -0.00003 -0.00001 -0.07620 0.17220 173 22 O 1S -0.00190 -0.00997 -0.00039 -0.00030 -0.00139 174 2S 0.00649 0.05963 0.09274 -0.04573 -0.07368 175 2PX 0.00151 0.06185 0.03361 0.03643 -0.04349 176 2PY -0.00527 0.02891 0.01156 -0.01815 0.00050 177 2PZ 0.00463 -0.01778 -0.01644 0.01280 -0.04426 178 3S 0.01047 0.20607 -0.11755 0.07866 0.24066 179 3PX 0.01055 -0.02382 -0.06048 -0.19549 0.30171 180 3PY 0.00913 0.02847 -0.04088 0.07145 0.04058 181 3PZ -0.01477 -0.07309 0.01735 -0.08175 0.13225 182 4XX 0.08073 0.01580 -0.01839 -0.08860 0.09043 183 4YY -0.00841 -0.03681 -0.02050 -0.00545 0.05404 184 4ZZ -0.08880 -0.00536 0.04705 0.09330 -0.14422 185 4XY 0.02137 -0.07592 -0.02409 -0.19289 0.25643 186 4XZ 0.04378 0.15694 0.10815 -0.00679 -0.00209 187 4YZ -0.06616 -0.12435 -0.02260 -0.22365 0.34938 188 23 H 1S -0.02858 -0.00001 0.00002 -0.16048 0.26490 189 2S 0.06632 0.00003 -0.00002 0.15937 -0.19493 161 162 163 164 165 V V V V V Eigenvalues -- 2.46407 2.48232 2.51087 2.55045 2.59077 1 1 C 1S 0.00592 0.01131 0.03357 -0.00080 0.00613 2 2S 0.26029 0.07292 0.50551 0.00718 -0.26948 3 2PX 0.02309 -0.02235 0.01192 0.00403 0.01092 4 2PY -0.00802 -0.03016 -0.09936 0.01648 0.04631 5 2PZ -0.08630 -0.00365 -0.19665 0.02235 0.13524 6 3S -0.18418 -0.25023 0.15588 -0.34748 -0.00071 7 3PX 0.04572 0.14543 0.34415 -0.04129 -0.09660 8 3PY 0.07702 0.15879 -0.43009 0.09063 0.02893 9 3PZ 0.23398 0.03382 -0.35093 0.25883 0.00339 10 4XX 0.09194 0.09120 0.25618 -0.02153 0.06747 11 4YY 0.00075 -0.04019 -0.15241 0.02368 0.00972 12 4ZZ -0.15090 -0.04509 -0.15487 -0.01754 0.00478 13 4XY 0.06419 -0.00815 0.02014 -0.01087 0.00510 14 4XZ -0.02373 0.05558 0.14285 -0.05771 0.03969 15 4YZ 0.08444 -0.01271 0.04072 0.05360 -0.09446 16 2 C 1S -0.00593 -0.01131 -0.03354 0.00078 0.00613 17 2S -0.26039 -0.07296 -0.50529 -0.00720 -0.26920 18 2PX -0.02311 0.02234 -0.01187 -0.00402 0.01091 19 2PY -0.00800 -0.03016 -0.09939 0.01656 -0.04631 20 2PZ 0.08631 0.00365 0.19667 -0.02245 0.13514 21 3S 0.18442 0.25053 -0.15675 0.34772 -0.00021 22 3PX -0.04570 -0.14541 -0.34452 0.04134 -0.09634 23 3PY 0.07698 0.15887 -0.42997 0.09056 -0.02899 24 3PZ -0.23415 -0.03393 0.35162 -0.25900 0.00316 25 4XX -0.09203 -0.09126 -0.25597 0.02142 0.06744 26 4YY -0.00078 0.04017 0.15249 -0.02363 0.00980 27 4ZZ 0.15102 0.04516 0.15457 0.01759 0.00467 28 4XY 0.06414 -0.00817 0.02023 -0.01085 -0.00522 29 4XZ 0.02375 -0.05560 -0.14261 0.05772 0.03975 30 4YZ 0.08450 -0.01265 0.04075 0.05349 0.09450 31 3 C 1S -0.02520 0.01462 -0.05082 0.00061 -0.01786 32 2S -0.37486 0.05183 -1.36017 0.30807 -0.07708 33 2PX 0.05370 0.00878 0.04884 0.04028 0.01666 34 2PY 0.08969 0.03680 0.26530 -0.08161 -0.01851 35 2PZ 0.00635 -0.03269 -0.05694 -0.01846 0.04305 36 3S 0.92656 -0.28699 3.36216 -0.33187 0.42489 37 3PX 0.05889 0.22980 0.14465 0.10536 0.00024 38 3PY -0.57357 -0.21282 -1.97302 0.27912 -0.26011 39 3PZ -0.38459 -0.01494 0.07946 -0.27449 -0.01273 40 4XX -0.05123 -0.00695 0.02768 -0.05671 -0.01809 41 4YY 0.01533 0.01972 0.02900 0.02559 -0.16659 42 4ZZ 0.06302 -0.00045 0.22478 -0.06588 0.19189 43 4XY -0.15021 -0.02479 0.04521 -0.11433 0.04494 44 4XZ -0.03759 -0.03455 -0.07114 -0.01853 -0.11938 45 4YZ -0.02553 0.00013 0.02001 0.01537 -0.05946 46 4 C 1S 0.03942 0.01914 0.05938 0.02279 0.01113 47 2S 0.22558 0.12124 0.62865 0.30966 0.06223 48 2PX 0.03931 -0.02025 0.08246 -0.08456 0.02795 49 2PY 0.04874 0.02439 -0.01865 0.03702 -0.04636 50 2PZ -0.01624 -0.00566 -0.04563 -0.00686 -0.02313 51 3S -1.61795 -0.65246 -3.58775 -0.85291 -0.27368 52 3PX 0.67896 0.25654 0.36108 0.79608 0.14041 53 3PY 0.41769 0.33147 0.95329 0.26373 0.01664 54 3PZ -0.00583 -0.00513 -0.90940 0.27080 -0.08377 55 4XX 0.49435 0.11736 -0.24243 0.31449 -0.01618 56 4YY -0.14908 -0.08619 -0.00027 -0.11103 -0.01312 57 4ZZ -0.33151 -0.01952 0.14426 -0.26071 0.04187 58 4XY 0.18554 -0.02843 -0.21200 0.05966 0.06275 59 4XZ 0.11223 0.01636 -0.02094 0.13478 0.05708 60 4YZ 0.37734 0.05313 0.18142 0.13079 -0.01929 61 5 C 1S -0.03945 -0.01916 -0.05934 -0.02280 0.01118 62 2S -0.22557 -0.12132 -0.62842 -0.30971 0.06261 63 2PX -0.03937 0.02024 -0.08238 0.08451 0.02799 64 2PY 0.04875 0.02437 -0.01856 0.03699 0.04631 65 2PZ 0.01627 0.00569 0.04552 0.00690 -0.02317 66 3S 1.61856 0.65282 3.58649 0.85338 -0.27591 67 3PX -0.67914 -0.25676 -0.36075 -0.79620 0.14067 68 3PY 0.41742 0.33141 0.95370 0.26346 -0.01734 69 3PZ 0.00570 0.00504 0.90863 -0.27095 -0.08414 70 4XX -0.49429 -0.11736 0.24257 -0.31444 -0.01621 71 4YY 0.14925 0.08619 0.00044 0.11113 -0.01326 72 4ZZ 0.33123 0.01952 -0.14458 0.26055 0.04199 73 4XY 0.18538 -0.02845 -0.21216 0.05960 -0.06267 74 4XZ -0.11269 -0.01653 0.02155 -0.13507 0.05711 75 4YZ 0.37739 0.05310 0.18135 0.13085 0.01918 76 6 C 1S 0.02523 -0.01460 0.05076 -0.00059 -0.01788 77 2S 0.37507 -0.05168 1.36001 -0.30794 -0.07769 78 2PX -0.05371 -0.00882 -0.04873 -0.04028 0.01669 79 2PY 0.08968 0.03680 0.26540 -0.08166 0.01839 80 2PZ -0.00638 0.03271 0.05693 0.01839 0.04302 81 3S -0.92750 0.28630 -3.36014 0.33101 0.42655 82 3PX -0.05913 -0.22982 -0.14438 -0.10543 0.00039 83 3PY -0.57361 -0.21294 -1.97231 0.27907 0.26115 84 3PZ 0.38492 0.01499 -0.07932 0.27461 -0.01271 85 4XX 0.05123 0.00699 -0.02789 0.05674 -0.01809 86 4YY -0.01548 -0.01983 -0.02862 -0.02549 -0.16652 87 4ZZ -0.06290 0.00050 -0.22496 0.06573 0.19194 88 4XY -0.15028 -0.02486 0.04552 -0.11433 -0.04499 89 4XZ 0.03783 0.03466 0.07073 0.01874 -0.11948 90 4YZ -0.02553 0.00015 0.01999 0.01533 0.05956 91 7 H 1S 0.04748 0.08449 0.14946 0.00690 -0.03572 92 2S -0.05832 0.05774 0.00370 -0.04977 -0.00689 93 8 H 1S -0.04754 -0.08456 -0.14933 -0.00688 -0.03569 94 2S 0.05836 -0.05774 -0.00393 0.04980 -0.00681 95 9 H 1S -0.03258 0.07616 0.07980 -0.04843 0.08556 96 2S 0.14738 0.08503 0.41585 -0.09936 0.05660 97 10 H 1S 0.45619 0.09788 0.08246 0.31367 0.00650 98 2S -0.06299 -0.04393 -0.06270 0.05505 -0.01007 99 11 H 1S -0.45617 -0.09792 -0.08233 -0.31369 0.00657 100 2S 0.06290 0.04389 0.06265 -0.05512 -0.01004 101 12 H 1S 0.03275 -0.07604 -0.08011 0.04844 0.08559 102 2S -0.14737 -0.08505 -0.41560 0.09944 0.05682 103 13 H 1S 0.33626 0.05027 -0.39333 0.27327 -0.02139 104 2S -0.01504 0.07701 -0.07892 0.18940 -0.00029 105 14 H 1S -0.33631 -0.05024 0.39317 -0.27327 -0.02153 106 2S 0.01502 -0.07698 0.07892 -0.18941 -0.00035 107 15 C 1S 0.00210 0.01729 0.04820 0.00497 0.03522 108 2S 0.31590 -0.27708 0.86458 -0.23698 0.02469 109 2PX -0.08228 0.05395 -0.10800 -0.02436 0.21291 110 2PY -0.04994 0.15673 0.11587 0.15369 -0.14407 111 2PZ 0.07622 -0.03796 0.18659 0.02773 -0.07894 112 3S -0.49819 -0.67602 -3.60379 -0.15646 -0.72455 113 3PX -0.00190 0.79792 0.36829 0.77047 0.38390 114 3PY -0.06832 0.67862 1.45817 0.33713 0.20814 115 3PZ -0.48519 -0.09359 -1.56749 -0.42338 -0.54757 116 4XX -0.04093 -0.38379 -0.05008 0.24769 -0.08913 117 4YY 0.08107 -0.23534 -0.13721 -0.23373 0.08980 118 4ZZ -0.10206 0.66150 0.03943 0.00335 0.04286 119 4XY 0.24094 -0.17487 0.00376 -0.43039 -0.05001 120 4XZ -0.05377 -0.05173 -0.13010 0.07104 0.38291 121 4YZ 0.27251 0.03672 -0.05428 -0.38541 0.02211 122 16 C 1S -0.00211 -0.01729 -0.04818 -0.00498 0.03524 123 2S -0.31599 0.27697 -0.86508 0.23687 0.02502 124 2PX 0.08226 -0.05392 0.10800 0.02433 0.21282 125 2PY -0.04994 0.15674 0.11581 0.15367 0.14398 126 2PZ -0.07621 0.03794 -0.18667 -0.02770 -0.07881 127 3S 0.49833 0.67611 3.60387 0.15663 -0.72597 128 3PX 0.00204 -0.79787 -0.36806 -0.77026 0.38416 129 3PY -0.06834 0.67860 1.45824 0.33703 -0.20885 130 3PZ 0.48508 0.09362 1.56752 0.42325 -0.54825 131 4XX 0.04104 0.38380 0.04996 -0.24763 -0.08916 132 4YY -0.08107 0.23535 0.13743 0.23379 0.08966 133 4ZZ 0.10195 -0.66150 -0.03931 -0.00344 0.04296 134 4XY 0.24096 -0.17490 0.00377 -0.43036 0.05002 135 4XZ 0.05385 0.05179 0.13019 -0.07099 0.38281 136 4YZ 0.27253 0.03675 -0.05430 -0.38544 -0.02207 137 17 C 1S 0.00000 0.00000 0.00002 0.00000 0.06994 138 2S 0.00000 -0.00003 -0.00013 -0.00006 -0.52138 139 2PX -0.00001 -0.00003 -0.00015 -0.00004 -0.55420 140 2PY 0.03670 0.03956 0.07812 0.03371 -0.00007 141 2PZ 0.00001 0.00002 0.00006 0.00002 0.23201 142 3S -0.00005 -0.00010 -0.00056 -0.00005 -2.02854 143 3PX -0.00004 -0.00002 -0.00015 -0.00004 -0.79000 144 3PY 0.01474 0.01465 0.18187 0.15527 -0.00007 145 3PZ 0.00000 0.00000 0.00011 -0.00002 0.12701 146 4XX -0.00009 0.00004 0.00002 -0.00005 -0.23310 147 4YY 0.00000 -0.00003 -0.00004 0.00002 0.04855 148 4ZZ 0.00009 0.00001 0.00006 0.00004 0.36096 149 4XY -0.08021 0.03108 0.23863 0.26943 -0.00010 150 4XZ -0.00005 0.00005 0.00021 0.00005 0.43947 151 4YZ -0.14743 0.03197 0.17244 0.22923 -0.00004 152 18 O 1S -0.00431 -0.00645 -0.00308 0.00865 -0.05992 153 2S 0.05251 -0.12620 -0.01333 -0.09594 -0.88803 154 2PX 0.00543 0.01809 0.02179 -0.00403 0.02160 155 2PY -0.04879 0.04544 -0.02109 0.04001 0.08841 156 2PZ -0.00590 0.07362 -0.00274 0.02447 -0.01892 157 3S 0.14246 0.46404 0.69211 0.28351 2.91876 158 3PX 0.07771 -0.05996 0.31756 0.14801 0.12661 159 3PY 0.11274 -0.20606 0.01289 -0.04852 -1.22963 160 3PZ 0.02327 -0.34438 -0.10238 -0.12661 -0.15608 161 4XX -0.08663 -0.43078 0.12629 0.25008 -0.20934 162 4YY -0.04340 0.03485 -0.15319 -0.01666 0.38892 163 4ZZ 0.11129 0.32992 -0.01645 -0.21029 -0.45728 164 4XY 0.01612 -0.01555 0.06789 -0.04711 0.07622 165 4XZ 0.03113 -0.14804 0.32937 0.17612 -0.29710 166 4YZ -0.16200 0.30272 0.06300 0.16873 0.11667 167 19 H 1S 0.06767 -0.22033 -0.12492 -0.21400 0.04137 168 2S -0.04549 -0.13833 -0.45775 -0.20346 -0.21064 169 20 H 1S -0.06766 0.22035 0.12490 0.21402 0.04125 170 2S 0.04539 0.13830 0.45774 0.20330 -0.21088 171 21 H 1S -0.00006 0.00002 0.00005 0.00000 0.09857 172 2S 0.00003 0.00001 0.00001 0.00002 0.16890 173 22 O 1S 0.00430 0.00645 0.00305 -0.00866 -0.05992 174 2S -0.05255 0.12615 0.01296 0.09586 -0.88794 175 2PX -0.00544 -0.01808 -0.02175 0.00405 0.02161 176 2PY -0.04878 0.04544 -0.02112 0.04000 -0.08840 177 2PZ 0.00590 -0.07360 0.00276 -0.02446 -0.01892 178 3S -0.14223 -0.46385 -0.69090 -0.28322 2.91875 179 3PX -0.07766 0.05990 -0.31772 -0.14800 0.12675 180 3PY 0.11282 -0.20599 0.01337 -0.04837 1.22952 181 3PZ -0.02325 0.34432 0.10220 0.12659 -0.15601 182 4XX 0.08668 0.43077 -0.12645 -0.25016 -0.20931 183 4YY 0.04347 -0.03489 0.15335 0.01677 0.38884 184 4ZZ -0.11145 -0.32991 0.01630 0.21021 -0.45723 185 4XY 0.01620 -0.01562 0.06771 -0.04707 -0.07618 186 4XZ -0.03113 0.14800 -0.32951 -0.17613 -0.29690 187 4YZ -0.16189 0.30269 0.06284 0.16870 -0.11662 188 23 H 1S 0.00004 -0.00003 -0.00005 -0.00001 -0.05122 189 2S -0.00002 0.00002 0.00009 -0.00001 0.09248 166 167 168 169 170 V V V V V Eigenvalues -- 2.63366 2.64873 2.67413 2.69191 2.70150 1 1 C 1S 0.03414 0.09822 0.01671 -0.02486 -0.03182 2 2S 0.01187 0.30058 0.03257 0.09097 0.02866 3 2PX -0.05890 -0.02229 -0.02888 0.07519 0.00748 4 2PY 0.28025 -0.22311 0.07170 -0.04774 0.26004 5 2PZ 0.31074 0.14281 0.04398 -0.24038 0.02412 6 3S -0.97730 -5.02725 -0.68427 1.02112 0.62180 7 3PX -0.11720 -0.58154 -0.31104 0.10588 -0.14289 8 3PY 0.03682 -1.51006 0.19787 -0.40706 0.46528 9 3PZ 0.54182 1.79927 0.53020 -0.47012 0.12936 10 4XX 0.27193 0.60335 0.01105 -0.11518 -0.16695 11 4YY -0.12351 -0.52874 0.12844 -0.21177 0.48037 12 4ZZ -0.17619 -0.09121 -0.07237 0.44493 -0.32361 13 4XY 0.06295 -0.11798 0.26698 -0.07494 -0.30670 14 4XZ -0.01329 0.27535 0.31261 -0.26538 -0.09544 15 4YZ -0.38464 0.21211 -0.24056 0.17003 0.00795 16 2 C 1S 0.03415 -0.09823 -0.01672 -0.02484 0.03182 17 2S 0.01184 -0.30059 -0.03256 0.09096 -0.02860 18 2PX -0.05895 0.02224 0.02893 0.07514 -0.00743 19 2PY -0.28020 -0.22310 0.07156 0.04755 0.26008 20 2PZ 0.31079 -0.14280 -0.04408 -0.24031 -0.02423 21 3S -0.97732 5.02746 0.68511 1.02051 -0.62183 22 3PX -0.11734 0.58140 0.31114 0.10543 0.14293 23 3PY -0.03684 -1.51042 0.19827 0.40657 0.46526 24 3PZ 0.54189 -1.79923 -0.53065 -0.46952 -0.12941 25 4XX 0.27188 -0.60343 -0.01098 -0.11519 0.16684 26 4YY -0.12339 0.52882 -0.12896 -0.21158 -0.48027 27 4ZZ -0.17619 0.09119 0.07305 0.44487 0.32362 28 4XY -0.06333 -0.11784 0.26698 0.07454 -0.30678 29 4XZ -0.01294 -0.27533 -0.31306 -0.26492 0.09549 30 4YZ 0.38481 0.21206 -0.24046 -0.16950 0.00799 31 3 C 1S -0.05412 0.05195 0.02386 0.00077 0.03839 32 2S 0.04570 0.62908 0.08541 -0.04815 0.13366 33 2PX -0.00930 0.04058 0.03466 0.13806 -0.04850 34 2PY -0.15267 -0.03794 0.05986 0.07913 0.04823 35 2PZ 0.18916 -0.17890 -0.15344 -0.29815 0.10061 36 3S 1.38320 -3.38489 -1.14255 -0.30657 -0.96762 37 3PX 0.05260 -0.08691 -0.27410 0.47259 -0.25828 38 3PY -0.60153 1.77708 0.46294 0.09647 0.30421 39 3PZ 0.30098 -0.49053 -0.16081 -0.94188 0.14672 40 4XX -0.18396 0.23223 0.17980 0.30618 -0.17233 41 4YY -0.40604 -0.20133 -0.06982 -0.24814 0.04806 42 4ZZ 0.51755 -0.11920 -0.19340 -0.12381 0.13606 43 4XY 0.06485 0.01235 0.20350 -0.24702 0.02775 44 4XZ -0.49732 0.14841 -0.13618 -0.23636 0.36035 45 4YZ -0.21660 0.23652 0.02146 0.64363 -0.00377 46 4 C 1S 0.02389 -0.03326 0.04121 0.03993 -0.00894 47 2S -0.03236 -0.11047 -0.09432 -0.08818 0.10500 48 2PX 0.09880 -0.07559 -0.02212 0.13929 -0.11305 49 2PY -0.10503 -0.03628 0.20034 -0.05934 0.08075 50 2PZ -0.10330 0.06907 0.00099 -0.13513 0.07841 51 3S -0.42208 1.90124 -0.33907 -0.74377 0.19053 52 3PX 0.21725 -0.22243 -0.09183 0.26655 -0.00212 53 3PY 0.01062 -0.55256 0.58810 -0.23452 0.51707 54 3PZ -0.14162 0.36578 0.32555 -0.26572 0.41840 55 4XX -0.03601 0.00317 0.40768 -0.05027 0.02407 56 4YY -0.03357 0.12014 -0.64051 0.13795 -0.21793 57 4ZZ 0.14020 -0.16681 0.38171 -0.00678 0.12902 58 4XY 0.17682 0.07096 0.09553 0.16360 -0.20607 59 4XZ 0.16106 0.00140 -0.01951 0.31307 -0.22955 60 4YZ -0.12549 -0.05694 -0.16662 -0.19234 0.27289 61 5 C 1S 0.02391 0.03324 -0.04113 0.04000 0.00894 62 2S -0.03259 0.11041 0.09412 -0.08824 -0.10507 63 2PX 0.09887 0.07557 0.02239 0.13929 0.11307 64 2PY 0.10491 -0.03633 0.20050 0.05900 0.08073 65 2PZ -0.10333 -0.06901 -0.00133 -0.13511 -0.07840 66 3S -0.42199 -1.90083 0.33769 -0.74474 -0.19043 67 3PX 0.21691 0.22237 0.09232 0.26655 0.00211 68 3PY -0.01077 -0.55268 0.58836 0.23337 0.51692 69 3PZ -0.14161 -0.36540 -0.32624 -0.26534 -0.41857 70 4XX -0.03601 -0.00322 -0.40781 -0.04985 -0.02410 71 4YY -0.03385 -0.12020 0.64064 0.13703 0.21808 72 4ZZ 0.14061 0.16690 -0.38151 -0.00607 -0.12909 73 4XY -0.17696 0.07105 0.09507 -0.16368 -0.20607 74 4XZ 0.16105 -0.00155 0.02007 0.31309 0.22960 75 4YZ 0.12565 -0.05682 -0.16660 0.19252 0.27276 76 6 C 1S -0.05412 -0.05193 -0.02390 0.00080 -0.03838 77 2S 0.04551 -0.62895 -0.08542 -0.04807 -0.13368 78 2PX -0.00927 -0.04061 -0.03447 0.13813 0.04853 79 2PY 0.15264 -0.03792 0.05988 -0.07928 0.04817 80 2PZ 0.18904 0.17890 0.15311 -0.29835 -0.10066 81 3S 1.38313 3.38423 1.14303 -0.30799 0.96748 82 3PX 0.05245 0.08697 0.27491 0.47225 0.25840 83 3PY 0.60153 1.77681 0.46316 -0.09720 0.30424 84 3PZ 0.30088 0.49039 0.15967 -0.94207 -0.14662 85 4XX -0.18371 -0.23220 -0.17949 0.30652 0.17248 86 4YY -0.40603 0.20137 0.06903 -0.24840 -0.04800 87 4ZZ 0.51731 0.11910 0.19369 -0.12400 -0.13625 88 4XY -0.06516 0.01232 0.20389 0.24668 0.02773 89 4XZ -0.49759 -0.14831 0.13542 -0.23663 -0.36028 90 4YZ 0.21680 0.23654 0.02067 -0.64362 -0.00375 91 7 H 1S -0.10214 0.23668 -0.04243 -0.12049 0.05000 92 2S -0.06380 -0.54336 -0.05460 0.11282 -0.04435 93 8 H 1S -0.10220 -0.23668 0.04218 -0.12056 -0.04998 94 2S -0.06377 0.54342 0.05478 0.11276 0.04433 95 9 H 1S 0.21210 0.07818 0.05470 0.12654 -0.01000 96 2S 0.01096 -0.32955 -0.18030 -0.07042 -0.05761 97 10 H 1S -0.06000 -0.00898 -0.10635 -0.05573 0.09913 98 2S 0.05516 -0.06563 0.07648 -0.01122 -0.02802 99 11 H 1S -0.06024 0.00893 0.10621 -0.05591 -0.09914 100 2S 0.05516 0.06568 -0.07645 -0.01117 0.02799 101 12 H 1S 0.21215 -0.07816 -0.05432 0.12660 0.00999 102 2S 0.01089 0.32946 0.18017 -0.07066 0.05767 103 13 H 1S -0.04856 0.11855 0.13745 -0.01484 -0.01277 104 2S -0.02614 0.00989 -0.01615 0.00724 0.16677 105 14 H 1S -0.04857 -0.11853 -0.13750 -0.01469 0.01277 106 2S -0.02628 -0.00990 0.01617 0.00720 -0.16677 107 15 C 1S -0.00057 -0.02803 -0.03238 -0.00363 -0.03662 108 2S -0.09775 -0.06946 0.02609 0.00389 -0.13749 109 2PX -0.07310 0.06508 -0.05224 -0.04965 0.04105 110 2PY 0.01547 -0.16765 -0.13824 0.02821 -0.24573 111 2PZ -0.02378 -0.00980 0.04917 0.04004 -0.03654 112 3S 0.17674 0.88830 1.13243 0.11406 1.35564 113 3PX -0.05858 0.31585 -0.02485 -0.06609 0.21495 114 3PY -0.01165 -0.39870 -0.47802 0.00608 -0.74045 115 3PZ 0.14036 -0.01801 0.06069 0.04123 0.13354 116 4XX 0.00119 -0.15809 -0.14294 0.01829 -0.28342 117 4YY 0.00504 0.30357 0.26167 -0.00749 0.47781 118 4ZZ 0.04353 -0.14362 -0.14219 0.01154 -0.14487 119 4XY 0.04977 0.00761 -0.01445 -0.04379 -0.04214 120 4XZ -0.12480 0.13187 -0.07362 -0.05748 0.03473 121 4YZ -0.03502 -0.07107 -0.13439 0.03434 -0.16961 122 16 C 1S -0.00058 0.02802 0.03238 -0.00369 0.03662 123 2S -0.09760 0.06947 -0.02616 0.00388 0.13746 124 2PX -0.07309 -0.06509 0.05218 -0.04976 -0.04111 125 2PY -0.01533 -0.16767 -0.13826 -0.02800 -0.24577 126 2PZ -0.02378 0.00979 -0.04916 0.04011 0.03658 127 3S 0.17701 -0.88815 -1.13222 0.11639 -1.35543 128 3PX -0.05886 -0.31593 0.02477 -0.06628 -0.21491 129 3PY 0.01191 -0.39868 -0.47805 -0.00499 -0.74052 130 3PZ 0.14042 0.01816 -0.06062 0.04152 -0.13356 131 4XX 0.00101 0.15809 0.14295 0.01809 0.28344 132 4YY 0.00529 -0.30359 -0.26166 -0.00706 -0.47779 133 4ZZ 0.04345 0.14360 0.14221 0.01128 0.14484 134 4XY -0.04989 0.00759 -0.01442 0.04384 -0.04209 135 4XZ -0.12485 -0.13194 0.07352 -0.05765 -0.03476 136 4YZ 0.03502 -0.07106 -0.13442 -0.03409 -0.16966 137 17 C 1S -0.01816 -0.00001 0.00000 0.00097 0.00000 138 2S 0.09372 0.00001 0.00002 0.00618 -0.00001 139 2PX 0.13582 0.00006 0.00002 -0.00723 -0.00001 140 2PY 0.00003 -0.20441 0.03163 -0.00005 -0.25255 141 2PZ -0.06354 -0.00004 0.00000 0.00816 0.00000 142 3S 0.55743 0.00036 0.00008 0.01158 0.00003 143 3PX 0.27139 0.00018 0.00000 -0.05005 -0.00002 144 3PY 0.00005 -0.27746 -0.03404 0.00001 -0.31170 145 3PZ -0.05911 0.00002 -0.00002 -0.00063 -0.00004 146 4XX 0.13471 0.00005 0.00000 -0.04548 -0.00005 147 4YY -0.07089 -0.00001 0.00000 0.02714 0.00006 148 4ZZ -0.08716 -0.00004 -0.00001 -0.00991 -0.00002 149 4XY 0.00005 -0.24093 0.02564 -0.00004 -0.30115 150 4XZ -0.13250 -0.00006 0.00000 0.02872 0.00001 151 4YZ 0.00000 0.18634 0.04129 -0.00002 0.17892 152 18 O 1S 0.01345 -0.02872 -0.00077 0.00857 -0.01841 153 2S 0.22268 -0.12037 0.13251 0.02249 -0.17881 154 2PX -0.00285 0.04678 0.03848 -0.01592 0.03127 155 2PY -0.02112 -0.02676 -0.01906 -0.00299 -0.01287 156 2PZ -0.00239 0.00458 -0.01576 0.00281 -0.01093 157 3S -0.73553 0.60893 -0.29407 -0.16220 0.56065 158 3PX -0.03781 -0.14286 -0.14034 -0.05243 -0.18020 159 3PY 0.31337 -0.21027 0.11298 0.03555 -0.24524 160 3PZ 0.03274 -0.08059 0.06904 0.06900 -0.02519 161 4XX 0.07714 -0.03764 -0.00155 -0.03440 -0.04863 162 4YY -0.15850 0.09910 -0.00938 0.07957 0.15080 163 4ZZ 0.14251 -0.17451 0.00742 -0.00111 -0.11930 164 4XY -0.00329 0.10309 0.03282 0.04739 0.12660 165 4XZ 0.02801 -0.10517 0.07230 0.08304 -0.09630 166 4YZ -0.02015 0.05592 0.00449 -0.02040 0.04119 167 19 H 1S -0.07154 -0.06449 -0.11107 0.00695 -0.13245 168 2S 0.09424 -0.03087 0.02659 -0.02264 0.14484 169 20 H 1S -0.07154 0.06447 0.11104 0.00678 0.13244 170 2S 0.09430 0.03095 -0.02661 -0.02247 -0.14489 171 21 H 1S -0.02429 -0.00003 0.00001 0.00774 0.00002 172 2S -0.03199 -0.00004 -0.00001 -0.01801 0.00000 173 22 O 1S 0.01344 0.02873 0.00078 0.00858 0.01842 174 2S 0.22272 0.12064 -0.13245 0.02275 0.17884 175 2PX -0.00282 -0.04677 -0.03851 -0.01588 -0.03127 176 2PY 0.02114 -0.02675 -0.01905 0.00302 -0.01288 177 2PZ -0.00241 -0.00457 0.01575 0.00278 0.01092 178 3S -0.73555 -0.60977 0.29372 -0.16295 -0.56083 179 3PX -0.03791 0.14282 0.14031 -0.05267 0.18014 180 3PY -0.31337 -0.21061 0.11286 -0.03585 -0.24524 181 3PZ 0.03276 0.08052 -0.06893 0.06915 0.02525 182 4XX 0.07708 0.03770 0.00157 -0.03438 0.04855 183 4YY -0.15849 -0.09924 0.00941 0.07954 -0.15069 184 4ZZ 0.14253 0.17462 -0.00738 -0.00106 0.11933 185 4XY 0.00322 0.10310 0.03279 -0.04746 0.12660 186 4XZ 0.02797 0.10519 -0.07222 0.08319 0.09642 187 4YZ 0.02015 0.05588 0.00451 0.02042 0.04116 188 23 H 1S -0.00396 0.00001 -0.00001 0.00058 0.00000 189 2S 0.00094 0.00002 -0.00002 -0.03052 -0.00003 171 172 173 174 175 V V V V V Eigenvalues -- 2.75474 2.76763 2.80343 2.88866 2.89672 1 1 C 1S -0.04008 -0.00684 0.00409 0.00282 -0.00578 2 2S -0.23143 -0.07716 0.23621 -0.02877 0.00805 3 2PX 0.01060 0.01543 -0.00220 -0.01023 -0.00754 4 2PY -0.10301 -0.04745 0.00635 0.06860 -0.00458 5 2PZ -0.13178 -0.04099 -0.08855 0.06090 -0.01935 6 3S 2.98619 0.29298 0.54765 -0.35815 0.15348 7 3PX 0.51846 0.01651 0.20583 -0.09554 0.01435 8 3PY 0.56384 -0.02809 -0.05770 0.11431 -0.07296 9 3PZ -1.49710 -0.16303 -0.28865 0.30963 -0.06335 10 4XX -0.19132 -0.03669 -0.04917 0.01631 -0.01639 11 4YY -0.14200 0.00681 0.04343 0.10193 -0.02373 12 4ZZ 0.31691 0.07780 -0.04174 -0.10141 0.03010 13 4XY 0.17788 -0.01879 0.14244 -0.00250 -0.00837 14 4XZ -0.08876 -0.00780 0.02223 0.02959 0.00267 15 4YZ -0.04742 0.05931 -0.03041 -0.04499 0.02829 16 2 C 1S 0.04010 -0.00679 -0.00409 -0.00283 -0.00577 17 2S 0.23161 -0.07689 -0.23625 0.02878 0.00803 18 2PX -0.01061 0.01542 0.00221 0.01022 -0.00755 19 2PY -0.10312 0.04741 0.00632 0.06860 0.00451 20 2PZ 0.13188 -0.04087 0.08860 -0.06094 -0.01927 21 3S -2.98678 0.28958 -0.54773 0.35837 0.15257 22 3PX -0.51844 0.01602 -0.20591 0.09558 0.01415 23 3PY 0.56414 0.02878 -0.05765 0.11435 0.07292 24 3PZ 1.49743 -0.16148 0.28873 -0.30974 -0.06274 25 4XX 0.19146 -0.03643 0.04924 -0.01634 -0.01634 26 4YY 0.14190 0.00680 -0.04346 -0.10198 -0.02364 27 4ZZ -0.31704 0.07755 0.04170 0.10146 0.02998 28 4XY 0.17785 0.01892 0.14242 -0.00251 0.00837 29 4XZ 0.08871 -0.00770 -0.02219 -0.02960 0.00271 30 4YZ -0.04736 -0.05935 -0.03034 -0.04499 -0.02823 31 3 C 1S -0.06147 -0.00203 -0.03629 0.00855 -0.00698 32 2S -0.71527 -0.02055 -0.69316 0.23823 -0.03882 33 2PX 0.09116 0.01409 0.01620 0.00755 0.00014 34 2PY -0.00833 0.02061 0.09558 -0.01189 0.01434 35 2PZ 0.07778 -0.05709 -0.03395 -0.06633 -0.02086 36 3S 3.71387 -0.04969 1.82008 -0.73173 0.16831 37 3PX 0.30027 0.05141 -0.25789 0.09323 0.08902 38 3PY -1.68763 0.05916 -0.93117 0.35391 -0.08139 39 3PZ 0.04764 -0.21145 0.13370 -0.13948 -0.23514 40 4XX -0.04678 0.05613 0.13146 -0.00851 0.02637 41 4YY 0.18334 -0.01399 0.00440 -0.03834 -0.02693 42 4ZZ 0.07074 -0.06611 0.01640 -0.06542 -0.01396 43 4XY -0.15328 -0.04120 0.13482 -0.04451 -0.03970 44 4XZ -0.37458 0.02741 -0.04916 0.01285 -0.01007 45 4YZ -0.12643 0.08830 -0.02986 0.09299 0.06201 46 4 C 1S 0.04109 0.00382 0.02650 -0.00785 0.00899 47 2S 0.30564 0.06494 0.18167 -0.03282 0.08229 48 2PX 0.09192 -0.00979 0.04023 -0.02266 -0.00198 49 2PY -0.10029 -0.00976 0.03300 -0.01453 -0.02570 50 2PZ -0.12913 -0.00326 -0.02931 0.00377 -0.01685 51 3S -2.31038 -0.15719 -1.41747 0.41422 -0.29762 52 3PX 0.86212 0.11244 0.16028 0.05308 0.17941 53 3PY 0.06832 -0.03079 0.48392 -0.12840 -0.02533 54 3PZ -0.59091 -0.04400 -0.19842 0.06220 -0.06552 55 4XX -0.10753 -0.00549 0.06039 -0.00157 -0.02326 56 4YY 0.28582 0.01141 -0.13283 0.03255 0.01676 57 4ZZ -0.18444 -0.03010 0.05842 -0.04677 -0.00442 58 4XY 0.05994 0.02089 0.00156 0.00807 0.02346 59 4XZ 0.23447 0.03209 -0.01073 0.03180 0.03962 60 4YZ -0.06931 -0.00252 0.01767 -0.01267 -0.00449 61 5 C 1S -0.04109 0.00378 -0.02650 0.00786 0.00897 62 2S -0.30577 0.06462 -0.18162 0.03290 0.08218 63 2PX -0.09190 -0.00985 -0.04023 0.02265 -0.00200 64 2PY -0.10026 0.00967 0.03302 -0.01450 0.02570 65 2PZ 0.12914 -0.00315 0.02930 -0.00378 -0.01684 66 3S 2.31057 -0.15496 1.41741 -0.41453 -0.29662 67 3PX -0.86236 0.11146 -0.16037 -0.05285 0.17921 68 3PY 0.06837 0.03095 0.48395 -0.12840 0.02560 69 3PZ 0.59069 -0.04343 0.19821 -0.06223 -0.06526 70 4XX 0.10765 -0.00539 -0.06038 0.00155 -0.02326 71 4YY -0.28584 0.01115 0.13281 -0.03253 0.01677 72 4ZZ 0.18441 -0.02991 -0.05846 0.04677 -0.00444 73 4XY 0.05990 -0.02085 0.00152 0.00804 -0.02348 74 4XZ -0.23453 0.03190 0.01074 -0.03177 0.03964 75 4YZ -0.06911 0.00250 0.01757 -0.01263 0.00452 76 6 C 1S 0.06146 -0.00197 0.03629 -0.00855 -0.00696 77 2S 0.71532 -0.01982 0.69318 -0.23823 -0.03836 78 2PX -0.09119 0.01400 -0.01620 -0.00756 0.00014 79 2PY -0.00829 -0.02063 0.09560 -0.01190 -0.01432 80 2PZ -0.07770 -0.05719 0.03398 0.06630 -0.02095 81 3S -3.71357 -0.05346 -1.82002 0.73181 0.16673 82 3PX -0.30056 0.05120 0.25786 -0.09309 0.08912 83 3PY -1.68730 -0.06088 -0.93110 0.35402 0.08059 84 3PZ -0.04711 -0.21153 -0.13347 0.13916 -0.23529 85 4XX 0.04660 0.05621 -0.13152 0.00853 0.02638 86 4YY -0.18337 -0.01422 -0.00441 0.03832 -0.02704 87 4ZZ -0.07053 -0.06619 -0.01631 0.06538 -0.01406 88 4XY -0.15334 0.04105 0.13482 -0.04446 0.03972 89 4XZ 0.37447 0.02772 0.04908 -0.01285 -0.01005 90 4YZ -0.12636 -0.08843 -0.02980 0.09291 -0.06211 91 7 H 1S -0.10436 0.00495 -0.00487 0.00118 -0.00085 92 2S 0.36894 0.02773 0.07070 -0.05299 0.00972 93 8 H 1S 0.10432 0.00506 0.00487 -0.00118 -0.00085 94 2S -0.36904 0.02737 -0.07074 0.05301 0.00960 95 9 H 1S -0.12089 -0.01532 0.00927 0.01747 0.00365 96 2S 0.40329 -0.00136 0.13115 -0.08967 0.03052 97 10 H 1S 0.15920 0.03411 0.04603 0.00627 0.03497 98 2S 0.02304 -0.04116 0.01940 -0.03655 -0.02681 99 11 H 1S -0.15924 0.03391 -0.04601 -0.00624 0.03491 100 2S -0.02310 -0.04111 -0.01941 0.03652 -0.02676 101 12 H 1S 0.12095 -0.01518 -0.00926 -0.01745 0.00370 102 2S -0.40322 -0.00175 -0.13111 0.08970 0.03034 103 13 H 1S -0.04776 -0.00821 -0.04933 0.04261 -0.00124 104 2S 0.04717 -0.02363 -0.06050 0.05310 -0.03996 105 14 H 1S 0.04775 -0.00818 0.04930 -0.04261 -0.00119 106 2S -0.04711 -0.02376 0.06053 -0.05316 -0.03997 107 15 C 1S -0.01731 0.02570 0.10056 -0.00370 0.02890 108 2S 0.00469 -0.06338 0.63336 -0.20417 -0.20196 109 2PX -0.02896 0.22957 0.24536 -0.13252 0.32601 110 2PY -0.27636 -0.17655 0.24863 0.23397 -0.09484 111 2PZ -0.02592 -0.18637 -0.01825 0.07549 -0.23188 112 3S 0.62327 -0.64766 -5.69004 0.65058 -0.96215 113 3PX 0.14741 0.23328 0.84038 -0.12251 0.41111 114 3PY -0.65834 -0.15193 2.19827 -0.18034 -0.30213 115 3PZ -0.16982 -0.24500 -1.97454 0.39268 -0.33875 116 4XX -0.38234 0.02169 0.14761 0.16397 -0.23959 117 4YY 0.60713 -0.04176 -0.44205 -0.44576 0.21233 118 4ZZ -0.10270 0.01675 0.14851 0.30429 -0.04887 119 4XY -0.04855 0.21671 -0.03099 0.44377 0.14534 120 4XZ -0.09803 0.22491 0.35919 -0.19004 0.38420 121 4YZ -0.21429 -0.23327 0.20373 -0.54167 -0.09511 122 16 C 1S 0.01729 0.02572 -0.10056 0.00373 0.02889 123 2S -0.00476 -0.06339 -0.63345 0.20391 -0.20224 124 2PX 0.02869 0.22959 -0.24543 0.13291 0.32585 125 2PY -0.27657 0.17629 0.24860 0.23408 0.09458 126 2PZ 0.02610 -0.18632 0.01826 -0.07576 -0.23176 127 3S -0.62252 -0.64815 5.69026 -0.65169 -0.96101 128 3PX -0.14758 0.23308 -0.84045 0.12305 0.41092 129 3PY -0.65844 0.15130 2.19818 -0.17999 0.30244 130 3PZ 0.17008 -0.24474 1.97464 -0.39308 -0.33809 131 4XX 0.38234 0.02201 -0.14755 -0.16430 -0.23942 132 4YY -0.60705 -0.04238 0.44205 0.44606 0.21180 133 4ZZ 0.10269 0.01693 -0.14851 -0.30436 -0.04847 134 4XY -0.04833 -0.21681 -0.03096 0.44357 -0.14592 135 4XZ 0.09778 0.22497 -0.35922 0.19052 0.38395 136 4YZ -0.21452 0.23297 0.20371 -0.54153 0.09581 137 17 C 1S -0.00002 0.02963 0.00000 -0.00005 -0.07565 138 2S 0.00003 -0.04872 0.00001 0.00013 0.24782 139 2PX 0.00005 -0.10808 0.00000 0.00023 0.41020 140 2PY -0.32350 -0.00022 -0.68783 -0.28808 0.00017 141 2PZ -0.00002 0.03159 -0.00002 -0.00009 -0.13377 142 3S 0.00040 -0.80418 0.00007 0.00127 2.09080 143 3PX 0.00000 -0.01689 -0.00001 0.00028 0.48062 144 3PY -0.36177 -0.00022 -0.41761 -0.31173 0.00019 145 3PZ -0.00004 -0.00428 -0.00006 -0.00009 -0.13889 146 4XX -0.00024 0.49017 -0.00003 -0.00011 -0.14647 147 4YY 0.00034 -0.73190 0.00000 0.00038 0.57311 148 4ZZ -0.00015 0.30949 0.00000 -0.00028 -0.45015 149 4XY -0.37886 -0.00026 -0.64622 -0.27633 0.00016 150 4XZ 0.00003 -0.07901 -0.00002 -0.00003 -0.03947 151 4YZ 0.21399 0.00008 0.24212 -0.02110 0.00006 152 18 O 1S -0.01465 -0.04986 -0.04005 -0.02618 0.00111 153 2S -0.26078 -0.36234 -0.94357 0.06534 -0.02152 154 2PX 0.01764 -0.00626 -0.05334 0.03046 -0.04155 155 2PY -0.02366 -0.07160 0.04092 -0.03661 -0.04494 156 2PZ -0.01768 -0.00743 0.00704 -0.02098 0.02913 157 3S 0.82386 1.47267 3.20246 0.03653 0.05344 158 3PX -0.14433 0.21234 0.49552 -0.33276 1.16854 159 3PY -0.28304 -0.22324 -1.09284 0.06613 0.40314 160 3PZ 0.00210 -0.21676 -0.26994 0.14340 -0.74070 161 4XX -0.04797 0.43922 0.08281 -0.00729 0.13008 162 4YY 0.17895 -0.49105 0.28927 -0.16281 -0.29243 163 4ZZ -0.09567 -0.15909 -0.39858 -0.01200 0.23135 164 4XY 0.21358 0.17159 0.17546 0.45673 -0.72903 165 4XZ -0.04506 -0.50882 -0.22183 -0.15624 -0.27741 166 4YZ 0.02063 -0.04627 -0.02975 -0.26785 0.42530 167 19 H 1S -0.19017 -0.04274 0.15260 -0.32091 0.04724 168 2S 0.17911 0.04756 -0.67149 0.26489 0.01353 169 20 H 1S 0.19018 -0.04253 -0.15258 0.32094 0.04684 170 2S -0.17913 0.04736 0.67143 -0.26487 0.01385 171 21 H 1S 0.00004 -0.06422 0.00000 0.00001 0.01018 172 2S -0.00008 0.18122 0.00001 -0.00011 -0.17269 173 22 O 1S 0.01470 -0.04984 0.04005 0.02618 0.00108 174 2S 0.26116 -0.36200 0.94367 -0.06538 -0.02139 175 2PX -0.01764 -0.00627 0.05334 -0.03051 -0.04151 176 2PY -0.02371 0.07158 0.04094 -0.03656 0.04499 177 2PZ 0.01769 -0.00740 -0.00703 0.02101 0.02910 178 3S -0.82537 1.47159 -3.20271 -0.03648 0.05334 179 3PX 0.14407 0.21251 -0.49563 0.33415 1.16808 180 3PY -0.28331 0.22288 -1.09297 0.06568 -0.40323 181 3PZ -0.00190 -0.21674 0.26987 -0.14429 -0.74050 182 4XX 0.04756 0.43924 -0.08283 0.00740 0.13012 183 4YY -0.17850 -0.49125 -0.28927 0.16251 -0.29263 184 4ZZ 0.09585 -0.15894 0.39862 0.01228 0.23125 185 4XY 0.21370 -0.17130 0.17538 0.45763 0.72850 186 4XZ 0.04559 -0.50875 0.22188 0.15593 -0.27755 187 4YZ 0.02057 0.04624 -0.02981 -0.26835 -0.42501 188 23 H 1S 0.00004 -0.09586 0.00000 -0.00003 -0.05682 189 2S -0.00010 0.19039 -0.00003 -0.00008 -0.12897 176 177 178 179 180 V V V V V Eigenvalues -- 2.94339 3.13274 3.13758 4.01192 4.12428 1 1 C 1S 0.00194 -0.03545 0.04249 0.01072 -0.02470 2 2S -0.01621 0.24357 0.02647 -0.10638 0.30088 3 2PX -0.06395 0.00054 -0.00424 -0.01503 -0.03555 4 2PY 0.40659 0.03706 -0.05014 -0.00442 -0.02126 5 2PZ 0.24602 -0.10812 0.05049 0.02211 0.05302 6 3S -0.21725 1.38520 -1.17634 -0.05917 -0.98047 7 3PX -0.16118 0.34363 -0.13389 -0.01888 -0.10294 8 3PY 1.38275 0.31112 -0.32664 0.00336 -0.27397 9 3PZ 0.97333 -0.63004 0.45374 0.03581 0.48315 10 4XX -0.00474 -0.24462 0.22837 0.06205 -0.06970 11 4YY 0.64538 0.23492 -0.28354 0.04580 -0.22619 12 4ZZ -0.62290 -0.15402 0.09404 0.02016 -0.19290 13 4XY 0.13859 -0.05693 0.14533 -0.01291 0.00189 14 4XZ 0.18789 0.05267 -0.07173 0.02765 0.03249 15 4YZ -0.36683 0.47016 -0.54584 -0.00450 -0.02980 16 2 C 1S -0.00195 0.03546 -0.04249 0.01071 0.02368 17 2S 0.01623 -0.24358 -0.02647 -0.10616 -0.29376 18 2PX 0.06400 -0.00053 0.00423 -0.01504 0.03566 19 2PY 0.40654 0.03704 -0.05013 0.00444 -0.02157 20 2PZ -0.24609 0.10814 -0.05049 0.02211 -0.05311 21 3S 0.21740 -1.38532 1.17634 -0.05941 0.98281 22 3PX 0.16137 -0.34363 0.13382 -0.01877 0.10262 23 3PY 1.38267 0.31124 -0.32676 -0.00328 -0.27365 24 3PZ -0.97354 0.63008 -0.45372 0.03585 -0.48273 25 4XX 0.00476 0.24463 -0.22835 0.06200 0.06568 26 4YY -0.64552 -0.23480 0.28338 0.04568 0.22239 27 4ZZ 0.62300 0.15389 -0.09393 0.02007 0.18884 28 4XY 0.13846 -0.05700 0.14542 0.01289 0.00193 29 4XZ -0.18796 -0.05257 0.07165 0.02765 -0.03246 30 4YZ -0.36661 0.47026 -0.54592 0.00449 -0.02982 31 3 C 1S 0.00654 -0.05213 0.02010 0.02128 -0.00078 32 2S -0.09685 -0.35690 -0.32852 -0.35000 0.49052 33 2PX 0.12176 0.00976 0.02300 -0.00068 -0.00819 34 2PY 0.12833 -0.00597 0.09201 0.01534 -0.00366 35 2PZ -0.31021 0.10858 -0.17198 0.01091 -0.03390 36 3S -0.71230 2.19346 -0.31356 0.34423 -1.33178 37 3PX 0.58016 0.09652 -0.21531 0.02613 0.03091 38 3PY 0.20475 -1.00303 0.07232 -0.22741 0.79754 39 3PZ -1.32184 -0.06920 -0.12055 -0.14600 0.02937 40 4XX 0.20193 0.04291 0.10827 0.15650 -0.15608 41 4YY -0.06406 -0.29910 0.37343 0.12152 -0.12671 42 4ZZ -0.21667 0.32925 -0.32809 0.15157 -0.18086 43 4XY -0.24065 0.02017 0.00169 -0.00233 -0.00918 44 4XZ -0.06491 -0.27474 0.27248 -0.01691 0.08237 45 4YZ 0.56790 0.01059 0.00960 0.02039 0.01425 46 4 C 1S 0.00078 0.04247 -0.01462 -0.00351 0.01350 47 2S -0.02986 0.23147 0.15363 0.15363 -0.52695 48 2PX 0.07578 0.06198 -0.06472 0.01316 0.00693 49 2PY -0.12478 -0.03603 0.03854 -0.02596 -0.00344 50 2PZ -0.08794 -0.08292 0.04310 -0.02070 0.05046 51 3S -0.15498 -1.84637 0.02730 -0.26529 1.18678 52 3PX 0.49727 0.57165 0.12104 0.15414 -0.62661 53 3PY -0.75728 0.29854 0.13934 -0.01250 -0.38945 54 3PZ -0.25175 -0.29497 0.04198 -0.08365 0.13361 55 4XX -0.18930 -0.02238 0.00560 -0.07043 0.16910 56 4YY 0.36485 -0.03022 0.00695 -0.03281 0.20640 57 4ZZ -0.18384 0.05650 -0.13581 -0.05673 0.18698 58 4XY 0.07610 0.15438 -0.18495 0.01806 -0.00120 59 4XZ 0.22094 0.11092 -0.06751 0.04175 -0.05873 60 4YZ -0.09483 -0.12343 0.17088 -0.00163 0.00199 61 5 C 1S -0.00078 -0.04246 0.01461 -0.00352 -0.01459 62 2S 0.02984 -0.23152 -0.15365 0.15378 0.53384 63 2PX -0.07580 -0.06198 0.06473 0.01317 -0.00696 64 2PY -0.12477 -0.03600 0.03851 0.02595 -0.00328 65 2PZ 0.08795 0.08292 -0.04307 -0.02071 -0.05049 66 3S 0.15494 1.84640 -0.02715 -0.26547 -1.18383 67 3PX -0.49725 -0.57178 -0.12112 0.15412 0.62726 68 3PY -0.75719 0.29856 0.13930 0.01250 -0.38963 69 3PZ 0.25196 0.29468 -0.04203 -0.08368 -0.13355 70 4XX 0.18939 0.02246 -0.00564 -0.07051 -0.17351 71 4YY -0.36488 0.03018 -0.00688 -0.03288 -0.21020 72 4ZZ 0.18380 -0.05650 0.13577 -0.05678 -0.19130 73 4XY 0.07610 0.15434 -0.18495 -0.01805 -0.00112 74 4XZ -0.22098 -0.11093 0.06751 0.04176 0.05872 75 4YZ -0.09462 -0.12343 0.17091 0.00162 0.00194 76 6 C 1S -0.00654 0.05212 -0.02009 0.02127 0.00012 77 2S 0.09686 0.35694 0.32857 -0.35002 -0.48645 78 2PX -0.12175 -0.00976 -0.02298 -0.00069 0.00832 79 2PY 0.12838 -0.00598 0.09203 -0.01536 -0.00338 80 2PZ 0.31019 -0.10857 0.17196 0.01089 0.03416 81 3S 0.71217 -2.19343 0.31333 0.34427 1.33324 82 3PX -0.58028 -0.09661 0.21531 0.02628 -0.03063 83 3PY 0.20497 -1.00287 0.07228 0.22749 0.79743 84 3PZ 1.32163 0.06943 0.12068 -0.14607 -0.02996 85 4XX -0.20200 -0.04300 -0.10821 0.15652 0.15381 86 4YY 0.06422 0.29909 -0.37341 0.12150 0.12409 87 4ZZ 0.21659 -0.32918 0.32802 0.15156 0.17891 88 4XY -0.24067 0.02023 0.00161 0.00233 -0.00896 89 4XZ 0.06498 0.27472 -0.27250 -0.01692 -0.08279 90 4YZ 0.56787 0.01048 0.00975 -0.02040 0.01423 91 7 H 1S 0.00506 0.21480 -0.21437 0.00754 0.02704 92 2S -0.02163 0.06651 0.00718 -0.00067 -0.14084 93 8 H 1S -0.00508 -0.21480 0.21438 0.00757 -0.02664 94 2S 0.02162 -0.06653 -0.00718 -0.00067 0.13977 95 9 H 1S 0.01991 0.12499 -0.16481 -0.01643 0.00071 96 2S -0.04841 0.11954 0.09068 0.10141 -0.20480 97 10 H 1S 0.02204 0.07024 0.10050 0.03225 -0.12388 98 2S 0.02855 0.04619 -0.10963 -0.02986 0.03667 99 11 H 1S -0.02202 -0.07024 -0.10053 0.03224 0.12432 100 2S -0.02851 -0.04628 0.10960 -0.02982 -0.03753 101 12 H 1S -0.01989 -0.12497 0.16482 -0.01640 -0.00034 102 2S 0.04840 -0.11948 -0.09066 0.10144 0.20413 103 13 H 1S 0.01129 -0.01645 -0.00713 0.00454 0.00975 104 2S 0.03330 0.02638 0.06467 -0.02363 -0.18454 105 14 H 1S -0.01130 0.01642 0.00714 0.00451 -0.00930 106 2S -0.03331 -0.02633 -0.06465 -0.02368 0.18322 107 15 C 1S -0.00368 0.05432 0.03780 0.00132 0.08454 108 2S -0.00782 0.11690 0.14629 0.15126 -0.85466 109 2PX 0.01487 0.28903 0.27626 0.06698 -0.15685 110 2PY -0.01928 -0.18232 -0.14684 -0.04209 -0.10590 111 2PZ -0.00817 -0.16430 -0.12546 0.02320 0.05896 112 3S 0.26748 -2.62358 -2.08891 -0.95612 2.92368 113 3PX -0.17796 0.84816 0.76538 0.33904 -1.42653 114 3PY -0.16208 0.37566 0.22270 -0.07616 -0.59837 115 3PZ 0.15805 -1.37955 -1.23331 -0.43827 1.69707 116 4XX -0.01333 -0.19937 -0.17165 0.01456 0.46762 117 4YY 0.04304 0.19551 0.14101 -0.01750 0.52694 118 4ZZ -0.02464 0.01167 -0.04000 0.01152 0.39701 119 4XY -0.08450 0.33232 0.31365 -0.07764 0.00821 120 4XZ 0.00127 0.36038 0.34538 0.05410 -0.15219 121 4YZ 0.10917 -0.27008 -0.22164 0.06952 -0.01165 122 16 C 1S 0.00368 -0.05432 -0.03780 0.00131 -0.08566 123 2S 0.00782 -0.11702 -0.14637 0.15143 0.86201 124 2PX -0.01489 -0.28905 -0.27628 0.06701 0.15721 125 2PY -0.01928 -0.18234 -0.14685 0.04207 -0.10546 126 2PZ 0.00818 0.16426 0.12543 0.02320 -0.05914 127 3S -0.26743 2.62365 2.08899 -0.95678 -2.92142 128 3PX 0.17798 -0.84810 -0.76536 0.33932 1.42640 129 3PY -0.16213 0.37561 0.22265 0.07588 -0.59840 130 3PZ -0.15809 1.37952 1.23331 -0.43857 -1.69730 131 4XX 0.01334 0.19941 0.17169 0.01450 -0.47227 132 4YY -0.04305 -0.19545 -0.14097 -0.01759 -0.53100 133 4ZZ 0.02466 -0.01170 0.03996 0.01146 -0.40149 134 4XY -0.08449 0.33234 0.31367 0.07765 0.00807 135 4XZ -0.00129 -0.36035 -0.34535 0.05415 0.15235 136 4YZ 0.10917 -0.27007 -0.22164 -0.06953 -0.01167 137 17 C 1S 0.00000 0.00000 0.00000 -0.12394 0.00021 138 2S -0.00002 0.00001 0.00001 0.95554 -0.00084 139 2PX -0.00001 0.00002 0.00001 -0.16549 -0.00004 140 2PY 0.05143 0.24431 0.21419 0.00000 0.05149 141 2PZ 0.00000 0.00001 0.00001 0.08563 0.00001 142 3S -0.00004 0.00006 0.00004 -2.06864 -0.00215 143 3PX 0.00000 0.00004 0.00002 -0.78662 -0.00050 144 3PY 0.04749 0.62908 0.54790 0.00001 0.38787 145 3PZ 0.00001 0.00000 0.00000 0.18790 0.00050 146 4XX 0.00000 0.00002 0.00002 -0.59085 0.00063 147 4YY 0.00000 0.00000 -0.00001 -0.37867 0.00074 148 4ZZ 0.00001 -0.00002 -0.00001 -0.54385 0.00074 149 4XY 0.03209 0.31438 0.27704 0.00000 -0.11056 150 4XZ 0.00000 0.00000 0.00001 0.03180 0.00011 151 4YZ 0.00776 -0.13894 -0.12358 0.00000 0.00801 152 18 O 1S 0.00818 0.00902 0.00164 -0.39384 0.40269 153 2S 0.02826 -0.37924 -0.31926 -0.40222 0.63376 154 2PX -0.02229 -0.01397 -0.00487 -0.04682 0.04941 155 2PY -0.00406 -0.02352 -0.02237 0.13946 -0.16606 156 2PZ 0.00995 -0.01888 -0.01590 0.04421 -0.03969 157 3S -0.23034 1.26378 1.14196 4.81424 -5.56138 158 3PX 0.00828 1.19506 1.04471 0.11563 -0.85434 159 3PY 0.05895 -0.01969 -0.00968 -0.97379 0.87107 160 3PZ 0.01643 -0.65579 -0.58372 -0.16589 0.61596 161 4XX -0.00295 0.35202 0.29763 -1.26871 1.15522 162 4YY 0.03985 -0.25960 -0.24334 -1.17523 1.26415 163 4ZZ 0.00590 0.19253 0.14272 -1.33762 1.38003 164 4XY -0.03953 -0.36814 -0.32382 0.09143 0.14404 165 4XZ 0.03677 -0.33609 -0.30739 -0.08592 0.24412 166 4YZ 0.02814 0.19813 0.16607 -0.00712 -0.11697 167 19 H 1S 0.08590 -0.13717 -0.10029 0.08414 -0.01848 168 2S 0.01996 -0.20316 -0.21239 -0.07782 0.50085 169 20 H 1S -0.08592 0.13715 0.10028 0.08414 0.01901 170 2S -0.01999 0.20313 0.21238 -0.07798 -0.50179 171 21 H 1S 0.00000 0.00000 0.00000 0.24393 -0.00001 172 2S 0.00000 0.00001 0.00000 0.04108 0.00013 173 22 O 1S -0.00818 -0.00902 -0.00164 -0.39388 -0.40282 174 2S -0.02826 0.37927 0.31928 -0.40230 -0.63414 175 2PX 0.02230 0.01397 0.00487 -0.04682 -0.04914 176 2PY -0.00407 -0.02352 -0.02237 -0.13948 -0.16612 177 2PZ -0.00995 0.01888 0.01590 0.04420 0.03958 178 3S 0.23037 -1.26379 -1.14201 4.81487 5.56375 179 3PX -0.00833 -1.19506 -1.04472 0.11579 0.85439 180 3PY 0.05900 -0.01977 -0.00975 0.97392 0.87199 181 3PZ -0.01641 0.65570 0.58366 -0.16590 -0.61626 182 4XX 0.00293 -0.35207 -0.29767 -1.26881 -1.15532 183 4YY -0.03983 0.25954 0.24330 -1.17535 -1.26456 184 4ZZ -0.00592 -0.19246 -0.14265 -1.33776 -1.38031 185 4XY -0.03954 -0.36816 -0.32385 -0.09140 0.14434 186 4XZ -0.03676 0.33605 0.30735 -0.08595 -0.24457 187 4YZ 0.02815 0.19814 0.16609 0.00711 -0.11723 188 23 H 1S 0.00000 -0.00001 -0.00001 0.21769 0.00006 189 2S 0.00001 0.00000 0.00000 -0.05419 0.00029 181 182 183 184 185 V V V V V Eigenvalues -- 4.12772 4.22313 4.28834 4.36076 4.37989 1 1 C 1S -0.19021 0.18109 -0.13468 0.18634 0.20260 2 2S 1.30169 -0.98168 0.76675 -0.99189 -1.24568 3 2PX 0.01601 0.02948 0.00632 -0.02436 -0.02508 4 2PY 0.05781 -0.05011 0.03795 -0.02348 0.15015 5 2PZ -0.00265 -0.11869 0.06640 -0.06850 -0.03166 6 3S 0.43076 -0.86326 0.39920 -0.65933 -0.31047 7 3PX -0.04789 -0.03728 -0.01642 0.04629 0.23232 8 3PY -0.06397 0.04977 0.01280 -0.00345 -0.07478 9 3PZ 0.06333 0.23139 -0.07147 0.11532 -0.35729 10 4XX -0.74193 0.69646 -0.51565 0.70810 0.78080 11 4YY -0.70110 0.61161 -0.47301 0.63243 0.97516 12 4ZZ -0.76178 0.75288 -0.54284 0.71366 0.76673 13 4XY -0.00399 -0.02521 -0.00237 0.01238 0.02201 14 4XZ 0.01003 -0.01212 0.02129 -0.03391 0.00277 15 4YZ -0.00248 0.04907 -0.01558 -0.00419 0.01324 16 2 C 1S -0.19035 0.18105 -0.13466 0.18660 -0.20244 17 2S 1.30348 -0.98139 0.76656 -0.99345 1.24487 18 2PX 0.01580 0.02948 0.00634 -0.02438 0.02509 19 2PY -0.05769 0.05012 -0.03796 0.02329 0.15017 20 2PZ -0.00232 -0.11868 0.06638 -0.06855 0.03157 21 3S 0.42474 -0.86372 0.39947 -0.66051 0.30996 22 3PX -0.04851 -0.03741 -0.01645 0.04640 -0.23228 23 3PY 0.06569 -0.04966 -0.01285 0.00382 -0.07468 24 3PZ 0.06629 0.23174 -0.07160 0.11527 0.35739 25 4XX -0.74232 0.69634 -0.51558 0.70910 -0.78021 26 4YY -0.70246 0.61137 -0.47288 0.63368 -0.97465 27 4ZZ -0.76292 0.75271 -0.54272 0.71466 -0.76614 28 4XY 0.00399 0.02519 0.00239 -0.01241 0.02196 29 4XZ 0.01022 -0.01210 0.02128 -0.03391 -0.00280 30 4YZ 0.00265 -0.04903 0.01555 0.00418 0.01327 31 3 C 1S -0.10301 -0.11085 0.00689 0.03341 -0.19970 32 2S 0.63103 0.56294 -0.06307 -0.05384 0.75237 33 2PX 0.02047 0.05659 0.00892 0.00105 0.02357 34 2PY -0.04701 0.03487 -0.02491 0.01995 0.05243 35 2PZ 0.05380 -0.12199 0.04169 -0.05470 0.08300 36 3S 0.21945 0.58983 -0.18201 -0.07803 1.41536 37 3PX 0.02610 -0.18220 -0.07263 0.08899 0.07503 38 3PY -0.01517 -0.05887 -0.00186 0.01339 -0.65996 39 3PZ -0.05914 0.21466 0.05951 0.09840 0.04533 40 4XX -0.35765 -0.33487 0.04017 0.04458 -0.69426 41 4YY -0.40568 -0.44939 0.03321 0.12014 -0.64319 42 4ZZ -0.28547 -0.45929 0.10190 0.00883 -0.55263 43 4XY -0.03071 -0.04266 0.02453 -0.02966 -0.02060 44 4XZ -0.07331 -0.01762 -0.01908 -0.00582 -0.10663 45 4YZ -0.00648 0.11336 -0.04778 0.03085 -0.03354 46 4 C 1S -0.16672 -0.27397 -0.01265 0.03685 -0.14547 47 2S 1.06038 1.43489 0.08091 -0.21198 0.92139 48 2PX -0.00381 0.02895 0.00406 -0.03260 0.03208 49 2PY -0.02773 -0.00365 -0.00605 0.00002 0.04599 50 2PZ -0.00027 -0.01929 0.01523 -0.02700 -0.00133 51 3S 0.44808 1.16014 0.14661 -0.11257 0.17899 52 3PX 0.08869 -0.06493 -0.03728 0.07539 0.10594 53 3PY 0.03945 0.08220 0.05327 -0.01175 0.05407 54 3PZ -0.04878 0.02887 -0.03542 0.11949 -0.31032 55 4XX -0.67114 -1.04075 -0.04543 0.13870 -0.58015 56 4YY -0.57953 -0.90592 -0.04697 0.13131 -0.66249 57 4ZZ -0.66573 -1.02842 -0.05457 0.14426 -0.54386 58 4XY -0.00557 -0.02547 -0.00111 0.01230 -0.02344 59 4XZ -0.00007 -0.03211 0.01159 -0.01205 -0.02700 60 4YZ 0.00891 0.00799 0.00244 -0.00570 0.03009 61 5 C 1S -0.16662 -0.27395 -0.01267 0.03686 0.14553 62 2S 1.05705 1.43459 0.08119 -0.21217 -0.92170 63 2PX -0.00376 0.02894 0.00406 -0.03258 -0.03211 64 2PY 0.02776 0.00365 0.00605 -0.00005 0.04600 65 2PZ 0.00004 -0.01927 0.01522 -0.02698 0.00131 66 3S 0.45530 1.16059 0.14634 -0.11268 -0.17925 67 3PX 0.08479 -0.06507 -0.03715 0.07516 -0.10596 68 3PY -0.03703 -0.08203 -0.05345 0.01187 0.05418 69 3PZ -0.04804 0.02908 -0.03552 0.11938 0.31030 70 4XX -0.67004 -1.04060 -0.04555 0.13877 0.58037 71 4YY -0.57818 -0.90579 -0.04711 0.13140 0.66270 72 4ZZ -0.66453 -1.02831 -0.05468 0.14436 0.54407 73 4XY 0.00557 0.02544 0.00112 -0.01228 -0.02346 74 4XZ -0.00043 -0.03214 0.01161 -0.01210 0.02701 75 4YZ -0.00896 -0.00803 -0.00244 0.00567 0.03004 76 6 C 1S -0.10301 -0.11083 0.00690 0.03323 0.19971 77 2S 0.63402 0.56309 -0.06330 -0.05299 -0.75231 78 2PX 0.02041 0.05659 0.00894 0.00104 -0.02357 79 2PY 0.04703 -0.03490 0.02492 -0.01998 0.05240 80 2PZ 0.05359 -0.12201 0.04170 -0.05459 -0.08304 81 3S 0.21135 0.58905 -0.18172 -0.07722 -1.41530 82 3PX 0.02636 -0.18220 -0.07268 0.08898 -0.07501 83 3PY 0.01032 0.05850 0.00207 -0.01317 -0.66000 84 3PZ -0.05893 0.21454 0.05954 0.09849 -0.04524 85 4XX -0.35858 -0.33487 0.04026 0.04389 0.69420 86 4YY -0.40646 -0.44943 0.03333 0.11952 0.64322 87 4ZZ -0.28659 -0.45931 0.10201 0.00830 0.55258 88 4XY 0.03076 0.04266 -0.02453 0.02963 -0.02057 89 4XZ -0.07281 -0.01759 -0.01911 -0.00587 0.10664 90 4YZ 0.00644 -0.11337 0.04780 -0.03078 -0.03360 91 7 H 1S 0.07584 -0.05787 0.06030 -0.08985 -0.04495 92 2S -0.19336 0.08330 -0.09694 0.16671 0.26645 93 8 H 1S 0.07600 -0.05786 0.06028 -0.08993 0.04488 94 2S -0.19423 0.08318 -0.09691 0.16692 -0.26632 95 9 H 1S 0.05965 0.04750 0.00786 -0.02036 0.08242 96 2S -0.08634 -0.12401 0.01695 0.03339 0.05232 97 10 H 1S 0.06680 0.07179 -0.00420 0.00009 0.02485 98 2S -0.15166 -0.27593 -0.06145 0.13371 -0.20274 99 11 H 1S 0.06602 0.07176 -0.00417 0.00004 -0.02485 100 2S -0.15146 -0.27585 -0.06151 0.13372 0.20282 101 12 H 1S 0.05966 0.04749 0.00785 -0.02031 -0.08244 102 2S -0.08759 -0.12410 0.01702 0.03332 -0.05233 103 13 H 1S 0.06812 0.08766 -0.00112 -0.02107 -0.08581 104 2S -0.19167 -0.25760 0.00872 -0.04881 0.15910 105 14 H 1S 0.06816 0.08771 -0.00114 -0.02111 0.08578 106 2S -0.19284 -0.25764 0.00878 -0.04890 -0.15906 107 15 C 1S -0.18331 0.10059 0.09066 -0.27574 -0.12034 108 2S 1.21063 -0.54862 -0.32842 1.45096 0.95947 109 2PX 0.05621 -0.00614 -0.00602 0.02184 0.01408 110 2PY -0.07530 0.05439 -0.01797 -0.04596 0.08731 111 2PZ -0.02643 -0.00177 0.03052 -0.09477 -0.02039 112 3S 0.34492 -0.35512 -0.20606 1.13115 0.45507 113 3PX 0.01257 -0.20453 0.06645 0.03554 -0.26291 114 3PY 0.02937 -0.09958 0.20189 0.04247 0.03003 115 3PZ -0.08412 0.15632 -0.12818 0.19987 -0.05447 116 4XX -0.75898 0.37139 0.27119 -1.08500 -0.58723 117 4YY -0.66661 0.34408 0.26088 -0.94467 -0.65291 118 4ZZ -0.74029 0.40179 0.32054 -1.05996 -0.53480 119 4XY 0.02140 -0.03173 -0.01098 0.03346 0.03564 120 4XZ 0.03341 -0.05196 0.02878 0.05812 0.01309 121 4YZ 0.00124 0.01903 -0.02272 0.00513 -0.00504 122 16 C 1S -0.18280 0.10060 0.09065 -0.27582 0.12011 123 2S 1.20546 -0.54876 -0.32830 1.45169 -0.95824 124 2PX 0.05527 -0.00619 -0.00600 0.02184 -0.01406 125 2PY 0.07593 -0.05438 0.01795 0.04590 0.08733 126 2PZ -0.02608 -0.00175 0.03051 -0.09475 0.02030 127 3S 0.36260 -0.35386 -0.20624 1.13173 -0.45420 128 3PX 0.00387 -0.20513 0.06657 0.03518 0.26291 129 3PY -0.02578 0.09975 -0.20187 -0.04254 0.03008 130 3PZ -0.07374 0.15700 -0.12835 0.19987 0.05470 131 4XX -0.75614 0.37147 0.27111 -1.08542 0.58630 132 4YY -0.66344 0.34412 0.26078 -0.94516 0.65213 133 4ZZ -0.73789 0.40183 0.32047 -1.06036 0.53391 134 4XY -0.02145 0.03173 0.01098 -0.03350 0.03562 135 4XZ 0.03248 -0.05201 0.02879 0.05812 -0.01303 136 4YZ -0.00118 -0.01903 0.02272 -0.00513 -0.00504 137 17 C 1S 0.06782 -0.06126 -0.42860 -0.17078 -0.00008 138 2S -0.26716 0.31152 2.39255 1.13183 0.00055 139 2PX -0.01378 -0.00841 -0.14970 -0.07006 -0.00004 140 2PY -0.00016 -0.00001 0.00000 -0.00001 0.00601 141 2PZ 0.00855 -0.01778 0.07133 0.00908 0.00000 142 3S -0.74356 0.52729 2.26297 0.82253 0.00046 143 3PX -0.18696 0.12215 0.01966 -0.02595 0.00002 144 3PY -0.00116 -0.00008 0.00002 -0.00011 0.17738 145 3PZ 0.13630 0.02825 -0.14139 0.17678 0.00012 146 4XX 0.20176 -0.22554 -1.67864 -0.75779 -0.00037 147 4YY 0.24003 -0.23726 -1.86082 -0.78556 -0.00039 148 4ZZ 0.23512 -0.22843 -1.60922 -0.67944 -0.00034 149 4XY 0.00033 0.00002 -0.00001 0.00002 -0.03130 150 4XZ 0.03824 -0.01925 0.03405 0.05073 0.00002 151 4YZ -0.00002 0.00000 -0.00001 -0.00001 0.01152 152 18 O 1S -0.03197 0.02758 0.08771 0.05962 0.09832 153 2S -0.07921 0.07151 -0.03066 0.03473 0.08380 154 2PX 0.04487 -0.03054 -0.04021 0.03315 0.03981 155 2PY 0.01152 -0.00972 -0.06792 -0.05892 -0.05577 156 2PZ -0.01352 0.00788 0.01267 -0.02923 -0.01995 157 3S 0.54135 -0.50787 -0.92872 -0.87235 -1.11620 158 3PX 0.01709 -0.04595 -0.04702 -0.07121 -0.00059 159 3PY -0.17303 0.13686 -0.07227 0.02217 0.12701 160 3PZ -0.07680 0.05794 0.05946 -0.04045 0.01681 161 4XX -0.04949 0.05031 0.32243 0.29624 0.36375 162 4YY -0.09913 0.09533 0.51925 0.26072 0.33356 163 4ZZ -0.07358 0.06970 0.22709 0.23738 0.36653 164 4XY -0.04647 0.04969 0.18209 0.03612 -0.02553 165 4XZ -0.08299 0.05306 -0.02573 -0.12289 -0.04402 166 4YZ 0.04671 -0.03484 -0.07202 0.03681 0.02144 167 19 H 1S 0.08557 -0.01540 -0.08032 0.09927 0.05370 168 2S -0.18042 0.25291 -0.01520 -0.23736 -0.12490 169 20 H 1S 0.08548 -0.01539 -0.08031 0.09931 -0.05360 170 2S -0.17737 0.25305 -0.01524 -0.23750 0.12478 171 21 H 1S 0.00302 -0.00876 0.09801 0.01488 0.00000 172 2S 0.05668 -0.11180 -0.43838 -0.26356 -0.00015 173 22 O 1S -0.02956 0.02775 0.08767 0.05977 -0.09826 174 2S -0.07537 0.07178 -0.03074 0.03488 -0.08376 175 2PX 0.04517 -0.03050 -0.04021 0.03321 -0.03979 176 2PY -0.01052 0.00979 0.06790 0.05899 -0.05572 177 2PZ -0.01376 0.00786 0.01267 -0.02924 0.01993 178 3S 0.50778 -0.51024 -0.92816 -0.87401 1.11532 179 3PX 0.01191 -0.04633 -0.04691 -0.07131 0.00054 180 3PY 0.16779 -0.13721 0.07235 -0.02238 0.12695 181 3PZ -0.07304 0.05818 0.05941 -0.04037 -0.01688 182 4XX -0.04256 0.05081 0.32229 0.29673 -0.36347 183 4YY -0.09154 0.09588 0.51912 0.26120 -0.33330 184 4ZZ -0.06532 0.07029 0.22696 0.23788 -0.36629 185 4XY 0.04561 -0.04975 -0.18207 -0.03610 -0.02558 186 4XZ -0.08151 0.05314 -0.02577 -0.12290 0.04391 187 4YZ -0.04600 0.03489 0.07203 -0.03681 0.02141 188 23 H 1S 0.02023 0.01053 0.05896 0.05650 0.00003 189 2S 0.08289 -0.03959 -0.53073 -0.14952 -0.00006 186 187 188 189 V V V V Eigenvalues -- 4.44862 4.50900 4.60325 4.87093 1 1 C 1S 0.01479 -0.22773 0.18752 -0.02361 2 2S -0.07466 1.10175 -0.87613 0.19520 3 2PX 0.03170 -0.02202 0.00767 -0.03082 4 2PY -0.08351 -0.08453 0.07766 0.04058 5 2PZ -0.11330 0.12293 -0.10413 0.02168 6 3S -0.55745 2.39775 -1.65075 2.53627 7 3PX -0.04404 0.12178 -0.00213 0.46802 8 3PY 0.08341 0.40535 -0.52390 0.13999 9 3PZ 0.18048 -0.68168 0.22430 -1.21898 10 4XX 0.06728 -0.82485 0.66260 -0.08826 11 4YY 0.09236 -1.03228 0.86149 -0.19228 12 4ZZ 0.16973 -0.87007 0.71323 -0.20333 13 4XY -0.02654 0.03945 0.02523 0.04574 14 4XZ -0.03534 0.02942 -0.03317 0.02866 15 4YZ 0.13441 -0.09296 0.08395 -0.13414 16 2 C 1S 0.01477 0.22765 -0.18755 0.02364 17 2S -0.07451 -1.10140 0.87621 -0.19531 18 2PX 0.03169 0.02201 -0.00765 0.03084 19 2PY 0.08349 -0.08453 0.07768 0.04055 20 2PZ -0.11329 -0.12290 0.10414 -0.02172 21 3S -0.55705 -2.39758 1.65096 -2.53643 22 3PX -0.04396 -0.12170 0.00206 -0.46808 23 3PY -0.08340 0.40537 -0.52396 0.14028 24 3PZ 0.18031 0.68155 -0.22435 1.21911 25 4XX 0.06718 0.82457 -0.66270 0.08838 26 4YY 0.09219 1.03200 -0.86157 0.19234 27 4ZZ 0.16964 0.86984 -0.71334 0.20347 28 4XY 0.02651 0.03949 0.02521 0.04575 29 4XZ -0.03534 -0.02945 0.03318 -0.02865 30 4YZ -0.13439 -0.09303 0.08397 -0.13413 31 3 C 1S -0.32491 -0.08618 0.02298 -0.39277 32 2S 1.72550 0.30547 -0.55038 0.87392 33 2PX 0.00028 0.02471 -0.00170 0.04536 34 2PY 0.10203 0.06430 -0.03232 0.21923 35 2PZ -0.01357 -0.08248 0.04368 -0.00579 36 3S 2.16745 0.90304 -0.12144 5.51894 37 3PX -0.01950 -0.15433 -0.31099 -0.05242 38 3PY -0.23895 -0.30469 0.00227 -2.02320 39 3PZ -0.10250 0.27108 0.03779 0.03717 40 4XX -1.23469 -0.21750 0.24277 -1.19482 41 4YY -1.24390 -0.31293 0.19371 -1.21159 42 4ZZ -1.34416 -0.40353 0.32817 -1.30172 43 4XY 0.03542 -0.04847 0.05221 0.04595 44 4XZ 0.10947 -0.03194 -0.03954 0.05684 45 4YZ 0.01715 0.10895 -0.02982 0.00118 46 4 C 1S 0.15493 -0.29139 -0.11656 0.17103 47 2S -0.79136 1.32776 0.58115 -0.43157 48 2PX -0.05394 0.05424 0.04241 0.02025 49 2PY 0.02485 0.05015 0.01610 0.00945 50 2PZ 0.05704 -0.03210 -0.00605 0.00110 51 3S -1.21283 2.29859 1.01348 -3.92814 52 3PX 0.17613 -0.15611 -0.15126 0.65355 53 3PY -0.10618 -0.32369 -0.04778 0.64177 54 3PZ -0.15411 -0.00272 -0.05636 -0.74971 55 4XX 0.63474 -1.02466 -0.43284 0.51985 56 4YY 0.53367 -1.17942 -0.50561 0.59570 57 4ZZ 0.65553 -1.01241 -0.42332 0.54994 58 4XY -0.08112 0.00039 0.03830 -0.09694 59 4XZ -0.08048 -0.02241 0.03038 -0.06908 60 4YZ 0.07660 -0.02098 0.00170 0.09884 61 5 C 1S 0.15483 0.29143 0.11662 -0.17101 62 2S -0.79086 -1.32791 -0.58139 0.43150 63 2PX -0.05394 -0.05426 -0.04243 -0.02023 64 2PY -0.02486 0.05015 0.01611 0.00946 65 2PZ 0.05703 0.03210 0.00605 -0.00108 66 3S -1.21220 -2.29891 -1.01379 3.92797 67 3PX 0.17616 0.15614 0.15127 -0.65374 68 3PY 0.10621 -0.32365 -0.04772 0.64195 69 3PZ -0.15414 0.00272 0.05639 0.74929 70 4XX 0.63444 1.02479 0.43306 -0.51977 71 4YY 0.53322 1.17952 0.50578 -0.59559 72 4ZZ 0.65516 1.01257 0.42352 -0.54993 73 4XY 0.08112 0.00041 0.03829 -0.09696 74 4XZ -0.08051 0.02239 -0.03038 0.06911 75 4YZ -0.07653 -0.02107 0.00167 0.09882 76 6 C 1S -0.32496 0.08607 -0.02300 0.39277 77 2S 1.72563 -0.30505 0.55050 -0.87387 78 2PX 0.00028 -0.02470 0.00169 -0.04532 79 2PY -0.10205 0.06429 -0.03232 0.21922 80 2PZ -0.01358 0.08249 -0.04366 0.00576 81 3S 2.16786 -0.90231 0.12143 -5.51885 82 3PX -0.01952 0.15420 0.31105 0.05227 83 3PY 0.23907 -0.30473 0.00213 -2.02303 84 3PZ -0.10244 -0.27114 -0.03782 -0.03688 85 4XX -1.23484 0.21714 -0.24285 1.19480 86 4YY -1.24405 0.31258 -0.19379 1.21160 87 4ZZ -1.34429 0.40317 -0.32821 1.30167 88 4XY -0.03540 -0.04848 0.05220 0.04594 89 4XZ 0.10946 0.03199 0.03954 -0.05687 90 4YZ -0.01721 0.10897 -0.02983 0.00119 91 7 H 1S 0.02602 0.05787 -0.05290 0.00953 92 2S 0.00583 -0.03000 0.10347 0.20088 93 8 H 1S 0.02604 -0.05781 0.05291 -0.00955 94 2S 0.00585 0.02998 -0.10346 -0.20094 95 9 H 1S 0.06097 0.02981 -0.02733 0.05776 96 2S -0.29864 -0.01821 0.01168 0.08154 97 10 H 1S -0.01556 -0.01871 -0.01554 0.11008 98 2S 0.16941 -0.32375 -0.21102 0.09259 99 11 H 1S -0.01554 0.01870 0.01553 -0.11005 100 2S 0.16926 0.32372 0.21110 -0.09266 101 12 H 1S 0.06099 -0.02980 0.02733 -0.05775 102 2S -0.29866 0.01807 -0.01174 -0.08146 103 13 H 1S -0.00551 -0.02202 -0.00318 -0.13586 104 2S 0.14796 0.27662 0.04657 -0.15712 105 14 H 1S -0.00550 0.02204 0.00316 0.13583 106 2S 0.14804 -0.27654 -0.04649 0.15719 107 15 C 1S 0.03357 0.04668 0.31062 0.18572 108 2S 0.05317 -0.23204 -1.25874 -0.07110 109 2PX 0.01411 0.00468 0.00584 0.07539 110 2PY -0.01682 -0.02113 -0.14751 -0.04651 111 2PZ 0.00967 -0.02960 0.10662 0.04505 112 3S -0.59234 -0.11376 -3.68943 -4.80528 113 3PX 0.01171 -0.53513 0.13457 0.43919 114 3PY -0.09407 -0.21273 0.93522 1.07413 115 3PZ -0.24075 0.51668 -0.73549 -1.72916 116 4XX 0.03743 0.17829 1.10340 0.39238 117 4YY 0.07337 0.23380 1.31690 0.58773 118 4ZZ 0.07165 0.17596 1.09341 0.47031 119 4XY -0.02966 -0.01089 0.00410 0.00300 120 4XZ -0.01268 -0.05358 -0.02106 0.01954 121 4YZ -0.01694 0.02537 0.05678 0.02250 122 16 C 1S 0.03360 -0.04653 -0.31063 -0.18579 123 2S 0.05304 0.23143 1.25877 0.07133 124 2PX 0.01409 -0.00465 -0.00584 -0.07540 125 2PY 0.01684 -0.02112 -0.14751 -0.04652 126 2PZ 0.00968 0.02966 -0.10663 -0.04508 127 3S -0.59276 0.11276 3.68945 4.80561 128 3PX 0.01175 0.53510 -0.13461 -0.43915 129 3PY 0.09404 -0.21265 0.93521 1.07417 130 3PZ -0.24082 -0.51692 0.73552 1.72922 131 4XX 0.03753 -0.17775 -1.10343 -0.39263 132 4YY 0.07354 -0.23332 -1.31692 -0.58794 133 4ZZ 0.07176 -0.17539 -1.09343 -0.47057 134 4XY 0.02966 -0.01087 0.00409 0.00300 135 4XZ -0.01269 0.05357 0.02106 -0.01952 136 4YZ 0.01695 0.02537 0.05678 0.02250 137 17 C 1S -0.04516 0.00003 -0.00001 0.00001 138 2S 0.21434 -0.00018 0.00003 -0.00002 139 2PX -0.05542 0.00000 0.00000 0.00002 140 2PY 0.00000 0.00103 -0.02509 -0.05381 141 2PZ 0.00667 0.00001 0.00000 0.00000 142 3S -0.03187 -0.00035 0.00013 -0.00005 143 3PX -0.02935 -0.00009 0.00003 -0.00003 144 3PY -0.00001 -0.06122 -0.10487 -0.04683 145 3PZ 0.10204 -0.00004 -0.00001 -0.00001 146 4XX -0.18205 0.00012 -0.00002 0.00003 147 4YY -0.15446 0.00014 -0.00003 0.00004 148 4ZZ -0.17175 0.00011 -0.00002 0.00003 149 4XY 0.00000 -0.00816 0.02060 0.02145 150 4XZ -0.00265 -0.00001 0.00000 0.00001 151 4YZ 0.00000 -0.01136 0.00285 -0.00299 152 18 O 1S -0.05012 -0.00617 -0.07061 -0.14313 153 2S -0.11587 0.04404 -0.10896 -0.38782 154 2PX -0.01285 -0.02067 -0.03439 -0.04987 155 2PY 0.01933 0.01532 0.04153 0.05877 156 2PZ 0.01893 -0.00464 0.03696 0.02491 157 3S 0.80722 -0.22456 1.35908 2.85301 158 3PX 0.10602 -0.10676 0.14816 0.66252 159 3PY -0.15811 0.03386 -0.16455 -0.41680 160 3PZ -0.09107 0.11120 -0.05950 -0.29671 161 4XX -0.14924 -0.06132 -0.26273 -0.37542 162 4YY -0.12358 -0.02446 -0.25067 -0.46336 163 4ZZ -0.18354 -0.04011 -0.27995 -0.50513 164 4XY 0.01554 0.02520 0.05488 -0.03119 165 4XZ -0.01551 0.02936 0.11928 -0.01067 166 4YZ -0.00835 -0.02749 -0.03855 0.01413 167 19 H 1S 0.02198 0.08370 -0.05169 0.00402 168 2S -0.00229 0.33562 0.08730 -0.23155 169 20 H 1S 0.02197 -0.08374 0.05169 -0.00399 170 2S -0.00223 -0.33546 -0.08729 0.23146 171 21 H 1S 0.01818 0.00002 -0.00001 0.00000 172 2S -0.07052 0.00007 -0.00001 0.00002 173 22 O 1S -0.05013 0.00609 0.07063 0.14313 174 2S -0.11587 -0.04418 0.10899 0.38783 175 2PX -0.01285 0.02063 0.03439 0.04988 176 2PY -0.01933 0.01527 0.04154 0.05879 177 2PZ 0.01893 0.00466 -0.03696 -0.02490 178 3S 0.80731 0.22580 -1.35934 -2.85299 179 3PX 0.10604 0.10688 -0.14816 -0.66250 180 3PY 0.15810 0.03407 -0.16462 -0.41688 181 3PZ -0.09108 -0.11118 0.05947 0.29660 182 4XX -0.14926 0.06104 0.26281 0.37543 183 4YY -0.12359 0.02420 0.25073 0.46331 184 4ZZ -0.18355 0.03981 0.28000 0.50516 185 4XY -0.01555 0.02521 0.05488 -0.03118 186 4XZ -0.01550 -0.02931 -0.11928 0.01064 187 4YZ 0.00836 -0.02747 -0.03856 0.01410 188 23 H 1S 0.04390 0.00000 0.00000 0.00000 189 2S -0.00085 0.00001 -0.00001 -0.00001 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 0.00097 0.00036 -0.00139 0.41443 5 2PZ -0.00131 -0.00543 -0.03125 0.00023 0.40211 6 3S -0.15830 0.24228 0.00291 0.01318 0.04226 7 3PX 0.00113 -0.00315 0.21934 -0.01073 0.03527 8 3PY 0.00251 -0.01344 -0.02697 0.13649 -0.00083 9 3PZ -0.00982 0.03047 0.04209 -0.01217 0.12272 10 4XX -0.01240 -0.01304 0.00071 -0.00285 0.00347 11 4YY -0.01693 -0.00310 0.00128 0.01322 0.00402 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 0.01657 -0.03200 -0.00532 -0.07761 -0.00241 17 2S -0.03200 0.05429 0.00509 0.16009 0.00888 18 2PX -0.00531 0.00507 0.15913 0.00474 0.06115 19 2PY 0.07761 -0.16009 -0.00480 -0.31360 -0.00714 20 2PZ -0.00242 0.00891 0.06115 0.00718 0.03632 21 3S -0.00528 0.03319 0.06256 0.12722 -0.01567 22 3PX -0.00336 0.00532 0.10963 -0.00900 0.03494 23 3PY 0.01369 -0.04242 -0.01075 -0.09233 -0.00474 24 3PZ 0.00238 -0.01063 0.02031 0.02059 0.04579 25 4XX 0.00227 -0.00499 -0.00126 -0.00696 0.00064 26 4YY -0.00698 0.01226 -0.00002 0.00598 -0.00110 27 4ZZ 0.00297 -0.00672 -0.00035 -0.01109 -0.00034 28 4XY -0.00005 0.00010 -0.01330 0.00062 0.00048 29 4XZ -0.00043 0.00120 0.00055 0.00204 0.00042 30 4YZ 0.00025 0.00026 0.00001 0.00122 -0.01310 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 -0.02110 -0.00143 -0.00883 34 2PY -0.01143 0.02690 0.00683 0.03368 -0.00518 35 2PZ 0.00945 -0.03038 -0.01522 -0.03576 0.01474 36 3S 0.00706 -0.01922 -0.03004 -0.02491 0.04788 37 3PX -0.00155 0.00072 -0.03302 0.01268 -0.01350 38 3PY -0.00344 0.00954 0.01631 -0.00509 -0.00176 39 3PZ 0.00614 -0.01691 -0.02829 -0.02793 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 -0.00268 0.00518 0.00449 0.00369 -0.00385 47 2S 0.00477 -0.00901 -0.01317 -0.00692 0.00530 48 2PX -0.00575 0.00900 0.01475 0.01710 -0.00024 49 2PY -0.00391 0.00924 -0.01092 -0.01170 -0.02808 50 2PZ 0.00545 -0.01011 -0.01766 -0.01848 -0.00079 51 3S 0.01276 -0.02471 -0.01193 -0.02744 0.02149 52 3PX -0.00401 0.00652 0.00233 0.02113 0.00157 53 3PY -0.00322 0.00782 -0.02237 -0.00754 -0.02812 54 3PZ 0.00300 -0.00543 0.00003 -0.01412 0.00024 55 4XX -0.00003 0.00016 0.00104 -0.00096 0.00004 56 4YY -0.00013 0.00028 -0.00171 0.00189 0.00034 57 4ZZ -0.00007 -0.00015 0.00005 -0.00125 -0.00056 58 4XY 0.00012 -0.00054 0.00063 -0.00033 0.00079 59 4XZ -0.00034 0.00061 0.00073 0.00126 0.00051 60 4YZ -0.00016 0.00069 0.00022 -0.00093 -0.00099 61 5 C 1S -0.00306 0.00583 0.00800 -0.00177 -0.01006 62 2S 0.00645 -0.01548 -0.01868 0.00611 0.02653 63 2PX -0.00664 0.01796 -0.01459 -0.00155 -0.04035 64 2PY -0.00144 0.00333 0.00706 0.00385 -0.00504 65 2PZ 0.01299 -0.03364 -0.02312 0.01220 0.03950 66 3S 0.00807 -0.01543 -0.07166 -0.00863 0.03254 67 3PX -0.00507 0.01254 -0.00726 0.01112 -0.03982 68 3PY -0.00350 0.00783 0.01742 0.00438 -0.01673 69 3PZ 0.00772 -0.01716 -0.00501 0.00145 0.02930 70 4XX 0.00040 -0.00111 -0.00870 0.00081 -0.00240 71 4YY 0.00066 -0.00161 -0.00031 0.00172 0.00373 72 4ZZ -0.00193 0.00383 0.00968 -0.00408 -0.00456 73 4XY 0.00036 -0.00095 0.00075 0.00158 0.00273 74 4XZ 0.00028 -0.00057 -0.00042 0.00099 0.00335 75 4YZ -0.00043 0.00131 -0.00132 -0.00070 -0.00275 76 6 C 1S 0.01820 -0.03656 -0.01016 0.03660 0.07343 77 2S -0.03387 0.06338 0.01981 -0.07637 -0.14773 78 2PX 0.01248 -0.02888 0.18249 0.00835 0.12421 79 2PY -0.03914 0.07810 -0.00827 -0.05068 -0.15365 80 2PZ -0.06920 0.14401 0.15742 -0.15692 -0.18242 81 3S -0.01204 0.03989 0.00231 -0.05280 -0.16228 82 3PX -0.00123 0.00106 0.13403 -0.00032 0.05751 83 3PY -0.01123 0.02913 -0.01794 -0.00611 -0.06278 84 3PZ -0.01450 0.03845 0.08769 -0.07191 -0.04941 85 4XX 0.00275 -0.00570 -0.00647 0.00277 0.00710 86 4YY 0.00161 -0.00337 -0.00018 0.01232 0.00173 87 4ZZ -0.00434 0.00759 0.00511 -0.00900 0.00395 88 4XY 0.00115 -0.00233 0.00459 -0.00024 0.00387 89 4XZ 0.00133 -0.00236 0.01200 0.00174 0.00221 90 4YZ -0.00435 0.00871 0.00393 0.00305 -0.00980 91 7 H 1S -0.06047 0.11437 -0.10770 -0.13130 0.20429 92 2S -0.01307 0.02614 -0.10364 -0.11573 0.18745 93 8 H 1S 0.01228 -0.02561 0.00302 -0.04307 -0.02280 94 2S 0.01413 -0.02480 0.01688 -0.08410 -0.04848 95 9 H 1S -0.00834 0.01854 0.00155 0.03521 -0.00164 96 2S -0.01169 0.02553 -0.00346 0.06912 -0.01170 97 10 H 1S -0.00054 0.00024 -0.00220 0.00239 -0.00167 98 2S -0.00112 0.00004 0.00423 0.00404 0.00327 99 11 H 1S -0.00765 0.01861 0.02815 -0.01507 -0.01740 100 2S -0.01117 0.02683 0.07205 -0.02255 -0.02836 101 12 H 1S 0.01202 -0.02505 0.00096 0.03529 0.02659 102 2S 0.01331 -0.02557 0.00976 0.07177 0.04539 103 13 H 1S 0.00146 -0.00212 -0.03905 0.00247 -0.01314 104 2S 0.00149 -0.00233 -0.03687 -0.00132 -0.01423 105 14 H 1S -0.00129 0.00194 0.00672 -0.00025 -0.00058 106 2S -0.00201 0.00357 0.02593 -0.00482 0.00549 107 15 C 1S -0.00081 0.00203 -0.00961 0.00215 -0.00592 108 2S 0.00108 -0.00181 0.02495 -0.00412 0.01178 109 2PX 0.00283 -0.00628 0.07962 -0.01586 0.04181 110 2PY -0.00030 0.00018 0.00869 -0.00476 0.00047 111 2PZ 0.00256 -0.00487 0.07393 -0.01329 0.03685 112 3S 0.00322 -0.01717 0.02583 -0.00652 0.04043 113 3PX 0.00175 -0.00019 0.07628 -0.02020 0.03052 114 3PY -0.00071 0.00700 0.03392 -0.00774 0.00101 115 3PZ 0.00133 -0.00757 0.04358 -0.00502 0.03447 116 4XX -0.00011 0.00030 0.00113 -0.00025 0.00034 117 4YY -0.00013 0.00012 0.00060 0.00051 0.00067 118 4ZZ -0.00033 0.00043 -0.00323 0.00056 -0.00212 119 4XY -0.00019 0.00064 -0.00062 0.00022 -0.00096 120 4XZ -0.00001 0.00032 -0.00079 -0.00004 -0.00078 121 4YZ -0.00005 0.00062 0.00010 0.00000 -0.00077 122 16 C 1S -0.00147 0.00123 -0.00411 0.00076 -0.00342 123 2S 0.00106 -0.00455 0.01445 -0.00061 0.01439 124 2PX 0.00434 -0.01454 0.01847 -0.00451 0.02131 125 2PY -0.00049 0.00143 -0.00664 0.00325 -0.00218 126 2PZ 0.00469 -0.01529 0.00158 -0.00046 0.01566 127 3S 0.00628 0.00376 0.02070 -0.00930 -0.00712 128 3PX 0.00386 -0.01646 0.02051 -0.00477 0.03438 129 3PY -0.00121 0.01053 0.00787 -0.00273 -0.01736 130 3PZ 0.00700 -0.00538 0.00983 -0.00210 -0.00168 131 4XX -0.00017 0.00025 -0.00359 0.00040 -0.00053 132 4YY -0.00029 -0.00008 0.00185 0.00028 0.00138 133 4ZZ -0.00095 0.00042 -0.00117 0.00018 -0.00156 134 4XY 0.00007 0.00026 0.00515 -0.00109 0.00182 135 4XZ -0.00034 0.00041 -0.00639 0.00051 -0.00302 136 4YZ -0.00007 0.00025 0.00503 -0.00085 0.00227 137 17 C 1S -0.00021 0.00037 -0.00256 0.00074 -0.00129 138 2S 0.00045 -0.00093 0.01070 -0.00231 0.00345 139 2PX 0.00019 0.00090 0.00184 -0.00183 -0.00043 140 2PY -0.00002 -0.00104 0.01260 -0.00063 0.00512 141 2PZ 0.00044 0.00038 0.00407 0.00065 -0.00103 142 3S 0.00164 -0.00175 0.00665 -0.00142 0.00526 143 3PX 0.00074 -0.00010 -0.02492 0.00074 -0.00664 144 3PY 0.00013 -0.00005 0.01586 -0.00148 0.00357 145 3PZ 0.00020 -0.00051 0.00434 0.00234 -0.00295 146 4XX -0.00009 -0.00044 -0.00044 0.00025 -0.00041 147 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 148 4ZZ -0.00004 0.00045 -0.00040 0.00004 -0.00036 149 4XY 0.00002 0.00011 -0.00120 0.00009 -0.00047 150 4XZ -0.00017 -0.00039 -0.00042 0.00028 -0.00030 151 4YZ 0.00001 0.00058 -0.00207 -0.00005 -0.00072 152 18 O 1S 0.00017 -0.00032 0.00064 0.00007 0.00055 153 2S 0.00030 -0.00040 -0.00313 0.00067 -0.00034 154 2PX -0.00062 -0.00050 -0.02008 0.00058 -0.01189 155 2PY -0.00034 0.00148 -0.00167 0.00222 0.00108 156 2PZ -0.00118 0.00070 -0.02972 0.00332 -0.01574 157 3S -0.00277 0.00563 0.00738 -0.00387 -0.00662 158 3PX -0.00096 0.00147 -0.01783 0.00060 -0.01389 159 3PY 0.00088 -0.00020 -0.00990 0.00307 -0.00115 160 3PZ -0.00123 0.00051 -0.03370 0.00486 -0.01600 161 4XX 0.00038 -0.00036 0.00242 -0.00028 0.00143 162 4YY 0.00014 -0.00032 0.00037 0.00024 0.00065 163 4ZZ 0.00034 -0.00016 -0.00314 0.00064 -0.00098 164 4XY 0.00004 -0.00003 0.00089 -0.00007 0.00058 165 4XZ 0.00003 -0.00005 -0.00067 0.00015 -0.00021 166 4YZ 0.00007 0.00007 0.00048 -0.00010 0.00010 167 19 H 1S -0.00026 -0.00090 -0.01477 0.00167 -0.00642 168 2S -0.00046 -0.00318 -0.04093 0.01070 -0.01043 169 20 H 1S -0.00109 0.00302 0.02316 -0.00384 0.00498 170 2S -0.00149 0.00769 0.03343 -0.00295 -0.00292 171 21 H 1S 0.00050 0.00107 0.00437 -0.00073 0.00111 172 2S 0.00031 0.00287 -0.01398 -0.00267 -0.00044 173 22 O 1S -0.00016 0.00196 -0.00628 -0.00032 -0.00258 174 2S 0.00099 -0.00334 0.01490 0.00049 0.00319 175 2PX 0.00076 -0.01200 0.02456 0.00146 0.00916 176 2PY 0.00049 -0.00001 0.00756 -0.00365 0.00455 177 2PZ -0.00063 -0.01548 0.01403 0.00533 -0.00171 178 3S -0.00252 -0.00866 0.03772 0.00003 0.02600 179 3PX -0.00044 -0.00849 0.01225 0.00192 0.00782 180 3PY -0.00029 -0.00156 0.01625 -0.00301 0.01028 181 3PZ -0.00024 -0.00917 0.00683 0.00427 -0.00549 182 4XX 0.00010 -0.00042 -0.00075 0.00008 -0.00040 183 4YY -0.00004 0.00018 0.00183 -0.00015 -0.00016 184 4ZZ -0.00011 0.00126 -0.00154 -0.00018 -0.00168 185 4XY 0.00000 -0.00055 0.00050 0.00025 0.00059 186 4XZ -0.00013 0.00040 -0.00269 0.00003 -0.00094 187 4YZ 0.00002 -0.00061 0.00133 0.00015 0.00008 188 23 H 1S -0.00043 -0.00223 -0.00289 0.00129 -0.00121 189 2S -0.00064 -0.00290 -0.02269 0.00476 -0.01121 6 7 8 9 10 6 3S 0.23666 7 3PX 0.00652 0.14683 8 3PY 0.00804 -0.02136 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 -0.00117 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 -0.00534 0.00323 -0.00013 -0.00261 -0.00002 16 2 C 1S -0.00528 -0.00336 -0.01369 0.00238 0.00227 17 2S 0.03319 0.00532 0.04243 -0.01064 -0.00499 18 2PX 0.06256 0.10963 0.01073 0.02031 -0.00125 19 2PY -0.12724 0.00898 -0.09234 -0.02058 0.00696 20 2PZ -0.01565 0.03494 0.00476 0.04579 0.00063 21 3S -0.00851 0.03448 0.01714 0.00084 -0.00356 22 3PX 0.03448 0.07523 0.00229 0.01981 -0.00081 23 3PY -0.01714 -0.00230 -0.01732 -0.01293 0.00164 24 3PZ 0.00084 0.01981 0.01293 0.01830 0.00021 25 4XX -0.00356 -0.00082 -0.00164 0.00020 0.00030 26 4YY 0.01149 -0.00057 0.00273 0.00085 -0.00045 27 4ZZ -0.00851 0.00037 -0.00483 0.00041 0.00033 28 4XY 0.00173 -0.00840 0.00185 -0.00254 -0.00007 29 4XZ 0.00212 0.00081 0.00050 0.00078 0.00002 30 4YZ -0.00433 -0.00212 -0.00016 -0.00298 -0.00010 31 3 C 1S -0.00219 -0.00079 0.00504 0.00764 -0.00014 32 2S -0.01801 -0.00485 -0.01555 -0.00395 0.00036 33 2PX 0.00518 -0.02906 0.01320 -0.01656 -0.00090 34 2PY 0.08499 -0.00005 0.04884 0.00307 -0.00028 35 2PZ 0.04252 0.00316 0.01167 -0.04324 -0.00088 36 3S -0.00698 -0.00546 -0.01195 0.00648 0.00071 37 3PX 0.02004 -0.02961 0.02142 -0.02114 -0.00118 38 3PY 0.02322 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 0.00641 -0.00066 0.00506 -0.00003 -0.00018 42 4ZZ -0.00234 0.00169 -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 0.01311 0.00380 0.00348 -0.00236 -0.00035 47 2S -0.02268 -0.00985 -0.00517 0.00299 0.00054 48 2PX 0.06530 0.02459 0.01161 -0.01822 -0.00036 49 2PY 0.01718 -0.01253 -0.00780 -0.01600 0.00008 50 2PZ -0.04683 -0.01384 -0.02513 0.00414 0.00076 51 3S -0.06192 -0.01099 -0.02380 0.01168 0.00171 52 3PX 0.03593 0.00872 0.01072 -0.01061 -0.00035 53 3PY 0.01389 -0.01969 0.00107 -0.01567 -0.00006 54 3PZ -0.02412 -0.00261 -0.01506 0.00320 0.00046 55 4XX -0.00046 0.00163 -0.00205 0.00065 0.00006 56 4YY 0.00085 -0.00143 0.00180 0.00018 0.00000 57 4ZZ 0.00166 -0.00045 0.00059 -0.00151 -0.00007 58 4XY 0.00174 0.00133 0.00012 -0.00093 0.00001 59 4XZ 0.00292 0.00088 0.00124 -0.00014 -0.00001 60 4YZ 0.00025 0.00013 -0.00139 -0.00026 -0.00005 61 5 C 1S 0.00445 0.00641 -0.00522 -0.00358 -0.00080 62 2S -0.01031 -0.01376 0.00969 0.00673 0.00130 63 2PX -0.01306 -0.02221 -0.01513 0.00045 -0.00055 64 2PY -0.01033 0.00644 0.00586 0.00698 -0.00089 65 2PZ -0.02964 -0.01984 0.03845 0.01133 0.00258 66 3S 0.01325 -0.04951 0.02284 -0.00729 0.00150 67 3PX -0.00856 -0.01467 -0.00355 -0.00516 -0.00067 68 3PY 0.00848 0.01148 0.00722 0.00017 -0.00085 69 3PZ -0.00548 -0.00461 0.01771 0.00544 0.00143 70 4XX -0.00076 -0.00586 0.00178 -0.00163 -0.00001 71 4YY -0.00258 0.00027 0.00013 0.00133 0.00005 72 4ZZ 0.00336 0.00567 -0.00314 -0.00042 -0.00011 73 4XY 0.00144 0.00151 0.00105 -0.00007 0.00001 74 4XZ -0.00060 0.00016 -0.00100 0.00128 0.00005 75 4YZ 0.00064 -0.00078 -0.00167 -0.00106 -0.00009 76 6 C 1S 0.00947 0.00716 0.00664 0.00572 0.00197 77 2S 0.01598 -0.00751 -0.01372 -0.03328 -0.00391 78 2PX -0.01396 0.12105 -0.00595 0.06024 0.00460 79 2PY 0.09104 -0.02349 0.00956 -0.05156 -0.00268 80 2PZ 0.06287 0.07217 -0.08829 -0.01034 -0.00489 81 3S -0.02059 -0.01950 -0.00713 -0.03122 -0.00338 82 3PX -0.00535 0.08767 -0.01720 0.03953 0.00206 83 3PY 0.01666 -0.01808 0.00191 -0.01564 -0.00127 84 3PZ 0.00407 0.04372 -0.04173 0.00713 -0.00047 85 4XX -0.00163 -0.00327 0.00219 0.00056 0.00031 86 4YY -0.00546 -0.00019 0.00297 0.00071 -0.00004 87 4ZZ 0.00806 0.00416 -0.00397 0.00238 -0.00013 88 4XY -0.00182 0.00308 0.00027 0.00168 0.00014 89 4XZ -0.00125 0.00835 -0.00080 0.00240 0.00008 90 4YZ 0.00542 0.00080 -0.00012 -0.00183 -0.00041 91 7 H 1S 0.11163 -0.03752 -0.03854 0.06087 -0.00203 92 2S 0.05136 -0.03642 -0.02569 0.04161 0.00088 93 8 H 1S -0.06018 -0.00165 -0.01990 0.00236 0.00081 94 2S -0.06560 0.00207 -0.03592 0.00210 0.00146 95 9 H 1S 0.05321 -0.00062 0.03275 0.00182 -0.00046 96 2S 0.05941 -0.00550 0.04660 -0.00344 -0.00112 97 10 H 1S 0.01612 -0.00419 0.01297 -0.00567 -0.00017 98 2S 0.02477 0.00013 0.01711 -0.00733 -0.00038 99 11 H 1S 0.02092 0.01981 -0.02578 -0.00544 -0.00086 100 2S 0.02508 0.04659 -0.03337 -0.00233 -0.00103 101 12 H 1S -0.05395 0.00252 0.00018 0.01405 -0.00033 102 2S -0.05133 0.00957 0.00649 0.02119 0.00003 103 13 H 1S -0.01503 -0.03448 0.00227 -0.00079 0.00050 104 2S -0.01376 -0.02833 0.00083 -0.00004 0.00001 105 14 H 1S 0.02356 0.01370 -0.00498 -0.00836 0.00027 106 2S 0.02297 0.02956 -0.00938 0.00074 0.00023 107 15 C 1S 0.00054 -0.00684 0.00000 -0.00510 -0.00013 108 2S 0.00015 0.01759 -0.00211 0.00932 0.00020 109 2PX -0.01601 0.06940 -0.02337 0.04610 0.00029 110 2PY 0.01387 0.01267 -0.00347 0.00076 -0.00023 111 2PZ -0.01086 0.06699 -0.02406 0.03744 0.00057 112 3S -0.01583 0.02583 -0.00757 0.02020 0.00058 113 3PX -0.01134 0.06199 -0.02274 0.03712 0.00019 114 3PY 0.00543 0.02752 -0.00859 0.01205 0.00002 115 3PZ -0.00497 0.04225 -0.01209 0.02569 0.00055 116 4XX -0.00046 0.00154 -0.00065 0.00092 0.00000 117 4YY 0.00001 0.00039 0.00041 0.00063 0.00001 118 4ZZ 0.00080 -0.00298 0.00042 -0.00198 -0.00004 119 4XY -0.00111 -0.00146 -0.00024 -0.00013 0.00005 120 4XZ -0.00195 -0.00054 -0.00065 0.00062 0.00002 121 4YZ -0.00064 -0.00051 -0.00063 -0.00050 0.00004 122 16 C 1S 0.00180 -0.00602 0.00355 -0.00326 -0.00073 123 2S -0.00136 0.01485 -0.00374 0.01037 0.00068 124 2PX 0.02214 0.02983 0.00267 0.00666 -0.00075 125 2PY -0.01125 -0.01357 0.00681 -0.00129 -0.00005 126 2PZ 0.00472 0.01380 0.00870 0.01234 -0.00027 127 3S 0.00523 0.02069 -0.00411 0.01026 0.00014 128 3PX 0.01598 0.02878 0.00352 0.01176 0.00002 129 3PY 0.00056 -0.00180 -0.00221 -0.00331 -0.00001 130 3PZ 0.00406 0.01374 0.00167 0.00582 -0.00049 131 4XX -0.00201 -0.00154 0.00031 0.00088 -0.00008 132 4YY -0.00025 0.00116 -0.00011 0.00057 0.00000 133 4ZZ 0.00264 -0.00164 0.00033 -0.00229 0.00003 134 4XY -0.00148 0.00405 -0.00142 0.00286 0.00001 135 4XZ -0.00013 -0.00434 0.00108 -0.00204 -0.00014 136 4YZ 0.00005 0.00457 -0.00177 0.00225 0.00004 137 17 C 1S 0.00094 -0.00300 0.00022 -0.00183 -0.00009 138 2S 0.00127 0.01039 -0.00173 0.00465 0.00005 139 2PX 0.00188 0.00523 -0.00230 0.00312 0.00001 140 2PY -0.00092 0.00692 -0.00236 0.00256 0.00017 141 2PZ -0.00741 0.00286 0.00161 0.00213 0.00037 142 3S 0.00125 0.00937 -0.00196 0.00541 0.00004 143 3PX 0.00035 -0.01783 0.00139 -0.00728 0.00007 144 3PY -0.00331 0.00997 -0.00365 0.00533 0.00030 145 3PZ 0.00190 -0.00052 0.00216 -0.00403 0.00023 146 4XX 0.00161 -0.00123 0.00034 -0.00156 0.00007 147 4YY -0.00058 0.00008 -0.00009 0.00036 -0.00007 148 4ZZ -0.00114 0.00005 -0.00003 0.00055 0.00000 149 4XY -0.00034 -0.00088 -0.00002 -0.00038 -0.00005 150 4XZ 0.00143 -0.00114 0.00035 -0.00146 0.00000 151 4YZ -0.00193 -0.00131 -0.00034 0.00071 -0.00005 152 18 O 1S -0.00149 0.00036 0.00011 0.00205 0.00009 153 2S 0.00641 -0.00155 0.00105 -0.00568 -0.00030 154 2PX 0.00854 -0.02170 0.00218 -0.01803 0.00010 155 2PY -0.00835 -0.00126 0.00103 0.00503 0.00007 156 2PZ -0.01134 -0.03543 -0.00041 -0.01215 -0.00015 157 3S 0.00587 0.00152 -0.00014 -0.00464 -0.00071 158 3PX 0.00558 -0.02051 0.00227 -0.01529 0.00000 159 3PY -0.00722 -0.00686 0.00143 0.00110 0.00011 160 3PZ -0.00619 -0.03490 0.00288 -0.01450 -0.00016 161 4XX -0.00044 0.00213 -0.00082 0.00124 0.00003 162 4YY 0.00061 0.00047 0.00010 0.00001 0.00001 163 4ZZ -0.00002 -0.00210 0.00084 -0.00107 -0.00001 164 4XY -0.00006 0.00107 -0.00008 0.00071 -0.00001 165 4XZ -0.00034 -0.00041 -0.00016 -0.00001 0.00000 166 4YZ 0.00041 0.00051 0.00017 -0.00003 0.00001 167 19 H 1S 0.00978 -0.01278 0.00786 -0.00834 -0.00030 168 2S 0.01501 -0.03174 0.01640 -0.01834 -0.00041 169 20 H 1S 0.00796 0.01781 -0.01075 0.00167 0.00048 170 2S 0.00756 0.02038 -0.01380 0.00013 0.00043 171 21 H 1S -0.00792 0.00602 -0.00032 0.00599 0.00017 172 2S -0.01360 -0.00450 -0.00105 0.00647 0.00001 173 22 O 1S 0.00144 -0.00170 -0.00117 -0.00120 0.00003 174 2S -0.00728 0.00501 0.00105 0.00430 0.00029 175 2PX 0.02297 0.00607 0.00431 -0.01173 0.00189 176 2PY 0.00490 0.01112 -0.00433 0.00846 0.00082 177 2PZ 0.05106 -0.00745 0.01534 -0.03939 0.00109 178 3S -0.00297 0.01930 0.00177 0.00850 0.00055 179 3PX 0.01868 -0.00006 0.00418 -0.01153 0.00131 180 3PY 0.00434 0.01577 -0.00375 0.00897 0.00067 181 3PZ 0.03327 -0.00944 0.01007 -0.02902 0.00086 182 4XX 0.00091 -0.00020 0.00041 -0.00044 -0.00003 183 4YY 0.00034 0.00150 -0.00035 0.00067 0.00004 184 4ZZ -0.00145 -0.00106 -0.00060 0.00020 -0.00004 185 4XY 0.00080 -0.00012 0.00034 -0.00044 0.00009 186 4XZ 0.00037 -0.00182 0.00029 -0.00077 -0.00007 187 4YZ 0.00217 0.00051 0.00048 -0.00129 0.00002 188 23 H 1S 0.00698 -0.00701 0.00194 -0.00765 0.00009 189 2S 0.01046 -0.02741 0.00600 -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 0.00029 -0.00017 -0.00002 0.00070 15 4YZ 0.00007 -0.00015 -0.00032 0.00039 0.00134 16 2 C 1S -0.00698 0.00297 0.00004 -0.00043 -0.00025 17 2S 0.01226 -0.00672 -0.00009 0.00120 -0.00026 18 2PX -0.00003 -0.00035 0.01330 0.00055 -0.00001 19 2PY -0.00598 0.01109 0.00061 -0.00204 0.00122 20 2PZ -0.00109 -0.00035 -0.00048 0.00043 0.01310 21 3S 0.01149 -0.00851 -0.00173 0.00212 0.00433 22 3PX -0.00057 0.00037 0.00840 0.00081 0.00212 23 3PY -0.00273 0.00483 0.00184 -0.00050 -0.00016 24 3PZ 0.00085 0.00040 0.00254 0.00078 0.00298 25 4XX -0.00045 0.00033 0.00007 0.00002 0.00010 26 4YY -0.00015 -0.00011 0.00013 -0.00013 0.00006 27 4ZZ -0.00011 0.00033 -0.00030 -0.00007 -0.00003 28 4XY -0.00013 0.00030 0.00034 0.00017 -0.00044 29 4XZ -0.00013 -0.00007 -0.00017 0.00000 -0.00026 30 4YZ -0.00006 0.00003 -0.00044 0.00026 0.00091 31 3 C 1S -0.00100 -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 -0.00428 0.00059 0.00091 0.00086 0.00633 35 2PZ 0.00262 0.00258 0.00719 -0.00005 -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 -0.00016 0.00006 0.00019 0.00011 -0.00014 47 2S 0.00029 -0.00012 -0.00042 -0.00015 0.00067 48 2PX 0.00029 -0.00036 -0.00099 -0.00019 -0.00117 49 2PY -0.00184 0.00130 -0.00100 -0.00036 0.00007 50 2PZ -0.00088 0.00025 -0.00074 -0.00048 0.00095 51 3S 0.00200 -0.00190 -0.00316 -0.00127 0.00103 52 3PX 0.00052 -0.00053 -0.00054 -0.00016 -0.00135 53 3PY -0.00223 0.00173 -0.00070 -0.00043 0.00022 54 3PZ -0.00037 -0.00022 -0.00025 -0.00036 0.00098 55 4XX 0.00001 -0.00005 -0.00043 -0.00007 -0.00011 56 4YY -0.00009 0.00003 0.00006 0.00001 0.00010 57 4ZZ 0.00003 0.00008 0.00040 0.00004 -0.00011 58 4XY -0.00007 0.00016 -0.00004 -0.00014 -0.00020 59 4XZ -0.00004 0.00002 0.00000 0.00002 0.00009 60 4YZ 0.00002 -0.00011 0.00006 0.00013 0.00019 61 5 C 1S 0.00084 -0.00123 0.00009 0.00097 0.00088 62 2S -0.00166 0.00202 -0.00010 -0.00212 -0.00188 63 2PX 0.00297 -0.00498 0.00083 0.00441 0.00293 64 2PY 0.00122 -0.00142 0.00141 0.00173 0.00217 65 2PZ -0.00318 0.00489 -0.00066 -0.00494 -0.00269 66 3S -0.00463 0.00425 0.00151 -0.00276 -0.00347 67 3PX 0.00173 -0.00267 -0.00010 0.00257 0.00249 68 3PY -0.00016 -0.00012 0.00119 0.00113 0.00223 69 3PZ -0.00177 0.00200 0.00006 -0.00265 -0.00177 70 4XX -0.00013 0.00034 0.00024 0.00028 -0.00002 71 4YY 0.00035 -0.00027 -0.00006 0.00006 0.00004 72 4ZZ -0.00012 -0.00016 -0.00026 -0.00023 0.00020 73 4XY 0.00008 0.00007 -0.00006 -0.00010 -0.00004 74 4XZ 0.00025 -0.00033 0.00008 0.00020 -0.00006 75 4YZ -0.00006 -0.00005 0.00005 0.00018 0.00002 76 6 C 1S 0.00121 -0.00362 0.00128 0.00125 -0.00482 77 2S -0.00333 0.00683 -0.00250 -0.00243 0.00896 78 2PX 0.00045 -0.00425 -0.00553 -0.00985 -0.00406 79 2PY -0.01327 0.00905 0.00056 -0.00317 -0.00230 80 2PZ -0.00352 -0.00331 -0.00434 -0.00244 0.00890 81 3S -0.00244 0.00650 -0.00289 0.00011 0.01073 82 3PX 0.00142 -0.00442 -0.00489 -0.00561 -0.00132 83 3PY -0.00390 0.00289 -0.00013 0.00002 -0.00060 84 3PZ -0.00120 -0.00262 -0.00337 -0.00236 0.00332 85 4XX -0.00012 0.00007 0.00022 0.00014 -0.00052 86 4YY 0.00096 -0.00069 -0.00013 0.00045 0.00038 87 4ZZ -0.00047 0.00016 0.00017 -0.00046 -0.00038 88 4XY 0.00005 -0.00002 0.00001 -0.00021 0.00005 89 4XZ 0.00026 -0.00040 0.00009 0.00017 0.00030 90 4YZ 0.00008 -0.00031 -0.00014 0.00007 0.00039 91 7 H 1S -0.00398 0.00568 0.00595 -0.00815 -0.01198 92 2S -0.00348 0.00601 0.00552 -0.00608 -0.01152 93 8 H 1S 0.00187 0.00086 -0.00413 0.00003 0.00776 94 2S -0.00152 0.00200 -0.00450 -0.00047 0.00806 95 9 H 1S -0.00128 -0.00063 0.00001 0.00045 0.00187 96 2S -0.00111 -0.00081 0.00060 0.00118 0.00241 97 10 H 1S 0.00009 0.00061 0.00118 0.00007 -0.00062 98 2S -0.00011 0.00099 0.00307 0.00015 -0.00105 99 11 H 1S 0.00025 -0.00164 -0.00075 0.00061 0.00052 100 2S 0.00042 -0.00286 -0.00152 0.00015 0.00176 101 12 H 1S 0.00812 -0.00390 -0.00110 0.00251 0.00540 102 2S 0.00887 -0.00647 -0.00127 0.00294 0.00315 103 13 H 1S 0.00001 -0.00025 0.00095 0.00152 0.00018 104 2S 0.00008 0.00050 0.00209 0.00261 0.00057 105 14 H 1S -0.00023 0.00005 -0.00205 -0.00071 -0.00073 106 2S -0.00045 0.00039 -0.00214 -0.00074 -0.00096 107 15 C 1S -0.00010 0.00004 0.00000 -0.00007 0.00005 108 2S 0.00011 -0.00016 0.00028 0.00010 0.00032 109 2PX -0.00035 0.00074 0.00042 0.00113 -0.00001 110 2PY -0.00051 0.00118 0.00071 0.00026 0.00007 111 2PZ -0.00016 0.00058 -0.00046 0.00087 -0.00003 112 3S 0.00130 -0.00033 0.00078 0.00070 -0.00103 113 3PX -0.00030 0.00036 0.00031 0.00039 0.00091 114 3PY -0.00056 0.00039 -0.00069 -0.00027 0.00071 115 3PZ 0.00012 0.00040 0.00021 0.00058 -0.00087 116 4XX 0.00004 0.00008 -0.00016 -0.00003 -0.00005 117 4YY 0.00000 0.00000 0.00008 0.00003 0.00004 118 4ZZ -0.00003 -0.00006 -0.00002 -0.00005 -0.00001 119 4XY 0.00008 -0.00023 -0.00031 -0.00019 -0.00002 120 4XZ 0.00006 -0.00007 -0.00031 -0.00005 -0.00011 121 4YZ 0.00008 -0.00020 -0.00030 -0.00021 -0.00004 122 16 C 1S -0.00019 -0.00079 -0.00064 -0.00042 -0.00008 123 2S -0.00014 0.00054 0.00110 0.00088 0.00014 124 2PX -0.00203 0.00379 0.00483 0.00371 0.00084 125 2PY 0.00055 -0.00138 -0.00092 -0.00057 -0.00005 126 2PZ -0.00171 0.00331 0.00453 0.00410 0.00075 127 3S -0.00167 0.00223 0.00139 0.00138 0.00157 128 3PX -0.00135 0.00275 0.00429 0.00246 -0.00007 129 3PY -0.00028 -0.00112 -0.00220 -0.00125 0.00037 130 3PZ -0.00116 0.00202 0.00254 0.00261 0.00142 131 4XX 0.00002 0.00034 0.00016 0.00009 -0.00004 132 4YY 0.00008 -0.00010 -0.00001 -0.00003 0.00002 133 4ZZ -0.00005 -0.00020 -0.00016 -0.00007 -0.00003 134 4XY -0.00003 0.00001 -0.00002 -0.00001 -0.00002 135 4XZ -0.00004 0.00024 0.00010 0.00012 -0.00001 136 4YZ 0.00001 0.00005 -0.00005 -0.00003 -0.00003 137 17 C 1S 0.00002 -0.00012 -0.00007 -0.00017 -0.00003 138 2S -0.00008 0.00036 0.00038 0.00037 0.00012 139 2PX 0.00020 0.00074 0.00013 0.00031 -0.00002 140 2PY -0.00003 -0.00072 -0.00085 -0.00048 -0.00028 141 2PZ 0.00024 -0.00003 0.00004 -0.00002 0.00005 142 3S -0.00007 0.00060 0.00040 0.00059 0.00008 143 3PX -0.00005 0.00013 -0.00075 -0.00011 -0.00037 144 3PY 0.00019 -0.00076 -0.00114 -0.00051 -0.00010 145 3PZ -0.00008 -0.00071 -0.00007 -0.00021 0.00013 146 4XX -0.00006 -0.00019 -0.00006 -0.00005 0.00002 147 4YY 0.00001 0.00006 0.00001 0.00003 -0.00001 148 4ZZ 0.00006 0.00007 -0.00001 0.00000 -0.00002 149 4XY -0.00001 0.00007 0.00009 0.00002 0.00002 150 4XZ -0.00009 -0.00016 -0.00003 -0.00003 0.00001 151 4YZ 0.00002 0.00013 0.00014 0.00003 0.00003 152 18 O 1S 0.00005 -0.00009 -0.00039 0.00001 -0.00016 153 2S -0.00012 0.00025 0.00091 0.00006 0.00020 154 2PX -0.00069 -0.00045 0.00128 -0.00034 0.00087 155 2PY 0.00036 -0.00042 -0.00035 -0.00013 -0.00017 156 2PZ -0.00069 -0.00152 0.00076 -0.00058 0.00064 157 3S -0.00057 0.00027 0.00184 0.00001 0.00139 158 3PX -0.00055 -0.00055 0.00063 -0.00044 0.00081 159 3PY 0.00039 -0.00036 -0.00066 -0.00009 -0.00040 160 3PZ -0.00043 -0.00104 0.00052 -0.00047 0.00035 161 4XX 0.00000 -0.00003 -0.00005 0.00001 -0.00004 162 4YY 0.00000 0.00003 0.00008 0.00003 -0.00002 163 4ZZ 0.00005 0.00005 -0.00003 0.00001 -0.00007 164 4XY 0.00002 0.00004 -0.00002 0.00001 -0.00004 165 4XZ 0.00001 -0.00003 -0.00012 0.00000 -0.00004 166 4YZ 0.00004 0.00001 -0.00008 -0.00002 -0.00002 167 19 H 1S -0.00033 0.00053 0.00141 0.00031 0.00024 168 2S -0.00052 0.00087 0.00233 0.00077 -0.00015 169 20 H 1S 0.00024 -0.00076 -0.00114 -0.00097 -0.00011 170 2S 0.00047 -0.00211 -0.00285 -0.00166 0.00013 171 21 H 1S 0.00029 0.00050 0.00017 0.00019 -0.00001 172 2S 0.00042 0.00117 -0.00023 0.00015 -0.00039 173 22 O 1S 0.00028 0.00067 0.00019 0.00018 0.00005 174 2S -0.00039 -0.00127 -0.00052 -0.00032 0.00006 175 2PX -0.00082 -0.00346 -0.00193 -0.00084 -0.00022 176 2PY 0.00040 0.00045 -0.00018 0.00034 -0.00009 177 2PZ -0.00148 -0.00451 -0.00238 -0.00090 0.00001 178 3S -0.00028 -0.00241 -0.00047 -0.00121 -0.00080 179 3PX -0.00044 -0.00271 -0.00153 -0.00093 -0.00048 180 3PY 0.00032 0.00014 0.00013 0.00014 -0.00010 181 3PZ -0.00085 -0.00364 -0.00237 -0.00098 0.00000 182 4XX -0.00010 0.00012 0.00017 0.00017 0.00007 183 4YY 0.00003 0.00001 -0.00003 0.00002 0.00007 184 4ZZ 0.00006 0.00005 -0.00013 -0.00009 -0.00001 185 4XY -0.00003 -0.00014 -0.00008 -0.00003 -0.00004 186 4XZ -0.00002 0.00007 0.00003 0.00004 -0.00001 187 4YZ -0.00009 -0.00013 -0.00005 0.00001 0.00001 188 23 H 1S -0.00041 -0.00097 -0.00025 -0.00031 0.00007 189 2S -0.00060 -0.00196 -0.00113 -0.00088 -0.00011 16 17 18 19 20 16 2 C 1S 2.05282 17 2S -0.06255 0.32755 18 2PX -0.00140 0.00252 0.35515 19 2PY -0.00096 -0.00036 0.00139 0.41443 20 2PZ -0.00131 -0.00543 -0.03125 -0.00023 0.40212 21 3S -0.15830 0.24228 0.00290 -0.01317 0.04226 22 3PX 0.00113 -0.00315 0.21934 0.01072 0.03526 23 3PY -0.00251 0.01345 0.02696 0.13648 0.00083 24 3PZ -0.00982 0.03047 0.04209 0.01215 0.12272 25 4XX -0.01240 -0.01304 0.00071 0.00285 0.00347 26 4YY -0.01693 -0.00310 0.00128 -0.01322 0.00403 27 4ZZ -0.01781 -0.00166 -0.00663 0.01343 -0.00166 28 4XY 0.00134 -0.00254 0.00125 -0.00159 -0.00728 29 4XZ 0.00350 -0.00743 -0.00287 -0.00739 -0.00687 30 4YZ -0.00175 0.00281 -0.00873 0.00073 0.01435 31 3 C 1S 0.01820 -0.03656 -0.01017 -0.03659 0.07344 32 2S -0.03388 0.06338 0.01982 0.07635 -0.14774 33 2PX 0.01248 -0.02888 0.18250 -0.00836 0.12421 34 2PY 0.03913 -0.07808 0.00827 -0.05064 0.15361 35 2PZ -0.06920 0.14402 0.15742 0.15688 -0.18248 36 3S -0.01204 0.03990 0.00233 0.05278 -0.16228 37 3PX -0.00123 0.00105 0.13405 0.00031 0.05750 38 3PY 0.01122 -0.02913 0.01794 -0.00609 0.06276 39 3PZ -0.01450 0.03846 0.08768 0.07190 -0.04943 40 4XX 0.00275 -0.00570 -0.00647 -0.00276 0.00709 41 4YY 0.00162 -0.00337 -0.00018 -0.01232 0.00174 42 4ZZ -0.00434 0.00759 0.00511 0.00900 0.00395 43 4XY -0.00115 0.00233 -0.00459 -0.00024 -0.00387 44 4XZ 0.00133 -0.00236 0.01200 -0.00174 0.00221 45 4YZ 0.00435 -0.00871 -0.00393 0.00305 0.00980 46 4 C 1S -0.00306 0.00583 0.00800 0.00176 -0.01006 47 2S 0.00645 -0.01548 -0.01868 -0.00610 0.02653 48 2PX -0.00664 0.01796 -0.01459 0.00154 -0.04034 49 2PY 0.00145 -0.00334 -0.00706 0.00385 0.00505 50 2PZ 0.01299 -0.03365 -0.02311 -0.01219 0.03951 51 3S 0.00807 -0.01543 -0.07167 0.00866 0.03254 52 3PX -0.00507 0.01254 -0.00725 -0.01113 -0.03981 53 3PY 0.00350 -0.00783 -0.01741 0.00438 0.01674 54 3PZ 0.00772 -0.01716 -0.00500 -0.00144 0.02931 55 4XX 0.00040 -0.00111 -0.00869 -0.00081 -0.00240 56 4YY 0.00066 -0.00161 -0.00031 -0.00172 0.00373 57 4ZZ -0.00193 0.00383 0.00968 0.00408 -0.00456 58 4XY -0.00036 0.00095 -0.00075 0.00158 -0.00273 59 4XZ 0.00028 -0.00057 -0.00042 -0.00098 0.00335 60 4YZ 0.00043 -0.00131 0.00133 -0.00070 0.00275 61 5 C 1S -0.00268 0.00519 0.00449 -0.00369 -0.00385 62 2S 0.00477 -0.00902 -0.01318 0.00692 0.00530 63 2PX -0.00575 0.00901 0.01475 -0.01711 -0.00024 64 2PY 0.00392 -0.00924 0.01090 -0.01170 0.02808 65 2PZ 0.00545 -0.01011 -0.01766 0.01848 -0.00080 66 3S 0.01276 -0.02471 -0.01193 0.02743 0.02149 67 3PX -0.00401 0.00652 0.00231 -0.02113 0.00156 68 3PY 0.00322 -0.00783 0.02237 -0.00754 0.02813 69 3PZ 0.00300 -0.00542 0.00005 0.01411 0.00023 70 4XX -0.00003 0.00016 0.00104 0.00096 0.00004 71 4YY -0.00013 0.00028 -0.00171 -0.00189 0.00034 72 4ZZ -0.00007 -0.00015 0.00005 0.00125 -0.00056 73 4XY -0.00012 0.00054 -0.00063 -0.00033 -0.00079 74 4XZ -0.00034 0.00061 0.00073 -0.00126 0.00052 75 4YZ 0.00016 -0.00069 -0.00022 -0.00093 0.00099 76 6 C 1S -0.00341 0.00805 0.00518 -0.01241 -0.00307 77 2S 0.00799 -0.01931 -0.01249 0.03302 0.00919 78 2PX -0.00013 -0.00050 -0.02110 0.00143 -0.00883 79 2PY 0.01144 -0.02691 -0.00683 0.03368 0.00518 80 2PZ 0.00945 -0.03038 -0.01521 0.03576 0.01473 81 3S 0.00707 -0.01923 -0.03007 0.02492 0.04787 82 3PX -0.00155 0.00071 -0.03302 -0.01268 -0.01350 83 3PY 0.00344 -0.00955 -0.01633 -0.00508 0.00177 84 3PZ 0.00614 -0.01691 -0.02828 0.02794 0.01867 85 4XX 0.00018 -0.00032 0.00004 0.00146 0.00054 86 4YY -0.00185 0.00428 -0.00018 -0.00989 -0.00142 87 4ZZ 0.00103 -0.00218 0.00229 0.00349 0.00131 88 4XY 0.00017 -0.00048 0.00264 0.00132 0.00153 89 4XZ -0.00043 0.00068 0.00707 -0.00076 0.00333 90 4YZ -0.00123 0.00226 0.00037 -0.00717 -0.00061 91 7 H 1S 0.01228 -0.02561 0.00303 0.04306 -0.02281 92 2S 0.01413 -0.02480 0.01689 0.08409 -0.04849 93 8 H 1S -0.06047 0.11437 -0.10767 0.13135 0.20428 94 2S -0.01307 0.02613 -0.10362 0.11577 0.18744 95 9 H 1S 0.01202 -0.02505 0.00096 -0.03529 0.02659 96 2S 0.01331 -0.02557 0.00976 -0.07177 0.04540 97 10 H 1S -0.00765 0.01861 0.02816 0.01506 -0.01740 98 2S -0.01117 0.02682 0.07207 0.02254 -0.02835 99 11 H 1S -0.00055 0.00025 -0.00219 -0.00239 -0.00167 100 2S -0.00112 0.00004 0.00426 -0.00404 0.00328 101 12 H 1S -0.00834 0.01853 0.00155 -0.03521 -0.00164 102 2S -0.01169 0.02553 -0.00348 -0.06911 -0.01169 103 13 H 1S -0.00129 0.00194 0.00672 0.00025 -0.00058 104 2S -0.00202 0.00358 0.02594 0.00482 0.00549 105 14 H 1S 0.00146 -0.00211 -0.03905 -0.00246 -0.01315 106 2S 0.00149 -0.00233 -0.03686 0.00134 -0.01425 107 15 C 1S -0.00147 0.00123 -0.00411 -0.00076 -0.00342 108 2S 0.00106 -0.00455 0.01445 0.00061 0.01439 109 2PX 0.00434 -0.01454 0.01847 0.00451 0.02131 110 2PY 0.00049 -0.00143 0.00664 0.00325 0.00218 111 2PZ 0.00469 -0.01529 0.00158 0.00047 0.01566 112 3S 0.00628 0.00376 0.02069 0.00929 -0.00713 113 3PX 0.00386 -0.01646 0.02051 0.00477 0.03438 114 3PY 0.00121 -0.01053 -0.00787 -0.00272 0.01736 115 3PZ 0.00700 -0.00538 0.00982 0.00210 -0.00169 116 4XX -0.00017 0.00025 -0.00359 -0.00040 -0.00053 117 4YY -0.00029 -0.00008 0.00185 -0.00028 0.00138 118 4ZZ -0.00095 0.00042 -0.00117 -0.00018 -0.00156 119 4XY -0.00007 -0.00026 -0.00515 -0.00109 -0.00182 120 4XZ -0.00034 0.00041 -0.00639 -0.00051 -0.00302 121 4YZ 0.00007 -0.00025 -0.00503 -0.00085 -0.00227 122 16 C 1S -0.00081 0.00203 -0.00962 -0.00215 -0.00592 123 2S 0.00108 -0.00181 0.02494 0.00412 0.01178 124 2PX 0.00283 -0.00628 0.07961 0.01585 0.04180 125 2PY 0.00030 -0.00018 -0.00869 -0.00475 -0.00047 126 2PZ 0.00256 -0.00486 0.07393 0.01329 0.03684 127 3S 0.00322 -0.01717 0.02583 0.00652 0.04043 128 3PX 0.00175 -0.00019 0.07628 0.02019 0.03052 129 3PY 0.00071 -0.00700 -0.03392 -0.00773 -0.00101 130 3PZ 0.00133 -0.00757 0.04358 0.00502 0.03447 131 4XX -0.00011 0.00030 0.00113 0.00025 0.00034 132 4YY -0.00013 0.00012 0.00060 -0.00051 0.00067 133 4ZZ -0.00033 0.00043 -0.00323 -0.00056 -0.00212 134 4XY 0.00019 -0.00064 0.00062 0.00022 0.00096 135 4XZ -0.00001 0.00032 -0.00079 0.00004 -0.00078 136 4YZ 0.00005 -0.00062 -0.00010 0.00000 0.00077 137 17 C 1S -0.00021 0.00037 -0.00255 -0.00074 -0.00129 138 2S 0.00045 -0.00093 0.01070 0.00231 0.00344 139 2PX 0.00019 0.00090 0.00184 0.00183 -0.00043 140 2PY 0.00002 0.00104 -0.01260 -0.00063 -0.00512 141 2PZ 0.00044 0.00038 0.00407 -0.00065 -0.00103 142 3S 0.00163 -0.00175 0.00665 0.00142 0.00526 143 3PX 0.00074 -0.00010 -0.02492 -0.00074 -0.00663 144 3PY -0.00013 0.00005 -0.01586 -0.00147 -0.00357 145 3PZ 0.00020 -0.00051 0.00434 -0.00234 -0.00295 146 4XX -0.00009 -0.00044 -0.00044 -0.00025 -0.00041 147 4YY 0.00010 0.00015 -0.00024 0.00000 -0.00017 148 4ZZ -0.00004 0.00045 -0.00039 -0.00004 -0.00036 149 4XY -0.00002 -0.00011 0.00120 0.00009 0.00047 150 4XZ -0.00017 -0.00039 -0.00042 -0.00028 -0.00030 151 4YZ -0.00001 -0.00058 0.00207 -0.00005 0.00072 152 18 O 1S -0.00016 0.00196 -0.00628 0.00032 -0.00258 153 2S 0.00099 -0.00335 0.01490 -0.00050 0.00319 154 2PX 0.00076 -0.01200 0.02456 -0.00146 0.00916 155 2PY -0.00049 0.00001 -0.00756 -0.00365 -0.00455 156 2PZ -0.00063 -0.01548 0.01403 -0.00533 -0.00171 157 3S -0.00252 -0.00867 0.03773 -0.00003 0.02600 158 3PX -0.00044 -0.00850 0.01225 -0.00192 0.00782 159 3PY 0.00029 0.00156 -0.01625 -0.00301 -0.01027 160 3PZ -0.00024 -0.00918 0.00683 -0.00427 -0.00549 161 4XX 0.00010 -0.00042 -0.00075 -0.00008 -0.00040 162 4YY -0.00004 0.00018 0.00183 0.00015 -0.00016 163 4ZZ -0.00011 0.00126 -0.00154 0.00018 -0.00168 164 4XY 0.00000 0.00055 -0.00050 0.00025 -0.00059 165 4XZ -0.00013 0.00040 -0.00269 -0.00003 -0.00094 166 4YZ -0.00002 0.00061 -0.00133 0.00015 -0.00008 167 19 H 1S -0.00109 0.00302 0.02316 0.00384 0.00499 168 2S -0.00149 0.00769 0.03343 0.00294 -0.00291 169 20 H 1S -0.00026 -0.00090 -0.01477 -0.00167 -0.00642 170 2S -0.00046 -0.00318 -0.04093 -0.01069 -0.01042 171 21 H 1S 0.00050 0.00107 0.00437 0.00073 0.00112 172 2S 0.00031 0.00287 -0.01398 0.00267 -0.00044 173 22 O 1S 0.00017 -0.00032 0.00064 -0.00007 0.00055 174 2S 0.00030 -0.00040 -0.00314 -0.00067 -0.00034 175 2PX -0.00063 -0.00050 -0.02008 -0.00058 -0.01189 176 2PY 0.00034 -0.00148 0.00167 0.00222 -0.00108 177 2PZ -0.00118 0.00070 -0.02973 -0.00332 -0.01574 178 3S -0.00277 0.00563 0.00738 0.00387 -0.00662 179 3PX -0.00096 0.00147 -0.01783 -0.00060 -0.01389 180 3PY -0.00088 0.00020 0.00991 0.00307 0.00115 181 3PZ -0.00123 0.00052 -0.03370 -0.00486 -0.01600 182 4XX 0.00038 -0.00036 0.00242 0.00028 0.00143 183 4YY 0.00014 -0.00032 0.00037 -0.00024 0.00065 184 4ZZ 0.00034 -0.00016 -0.00314 -0.00064 -0.00098 185 4XY -0.00004 0.00003 -0.00089 -0.00007 -0.00058 186 4XZ 0.00003 -0.00005 -0.00067 -0.00015 -0.00021 187 4YZ -0.00007 -0.00007 -0.00048 -0.00010 -0.00010 188 23 H 1S -0.00043 -0.00223 -0.00289 -0.00129 -0.00121 189 2S -0.00064 -0.00290 -0.02269 -0.00476 -0.01121 21 22 23 24 25 21 3S 0.23665 22 3PX 0.00652 0.14683 23 3PY -0.00804 0.02135 0.05806 24 3PZ 0.02201 0.04331 0.01311 0.05818 25 4XX -0.00858 0.00095 0.00047 0.00024 0.00073 26 4YY -0.00280 0.00122 -0.00303 0.00086 0.00012 27 4ZZ 0.00017 -0.00369 0.00273 -0.00118 0.00023 28 4XY -0.00508 -0.00039 0.00047 -0.00152 0.00013 29 4XZ -0.00603 -0.00244 -0.00263 -0.00329 0.00011 30 4YZ 0.00535 -0.00323 -0.00013 0.00261 0.00002 31 3 C 1S 0.00947 0.00716 -0.00664 0.00572 0.00197 32 2S 0.01599 -0.00750 0.01372 -0.03329 -0.00391 33 2PX -0.01396 0.12106 0.00595 0.06023 0.00460 34 2PY -0.09103 0.02349 0.00957 0.05155 0.00268 35 2PZ 0.06288 0.07217 0.08828 -0.01036 -0.00489 36 3S -0.02057 -0.01948 0.00712 -0.03123 -0.00338 37 3PX -0.00534 0.08767 0.01720 0.03953 0.00206 38 3PY -0.01666 0.01808 0.00191 0.01564 0.00127 39 3PZ 0.00407 0.04372 0.04173 0.00712 -0.00047 40 4XX -0.00163 -0.00327 -0.00219 0.00056 0.00031 41 4YY -0.00546 -0.00019 -0.00297 0.00071 -0.00004 42 4ZZ 0.00806 0.00416 0.00397 0.00238 -0.00013 43 4XY 0.00182 -0.00308 0.00027 -0.00168 -0.00014 44 4XZ -0.00125 0.00835 0.00080 0.00240 0.00008 45 4YZ -0.00542 -0.00080 -0.00012 0.00183 0.00041 46 4 C 1S 0.00444 0.00641 0.00522 -0.00358 -0.00080 47 2S -0.01030 -0.01376 -0.00969 0.00673 0.00130 48 2PX -0.01306 -0.02221 0.01513 0.00045 -0.00055 49 2PY 0.01032 -0.00644 0.00586 -0.00697 0.00089 50 2PZ -0.02962 -0.01983 -0.03845 0.01134 0.00258 51 3S 0.01325 -0.04952 -0.02283 -0.00728 0.00150 52 3PX -0.00855 -0.01467 0.00354 -0.00516 -0.00067 53 3PY -0.00848 -0.01147 0.00722 -0.00016 0.00085 54 3PZ -0.00547 -0.00461 -0.01771 0.00544 0.00143 55 4XX -0.00076 -0.00586 -0.00178 -0.00163 -0.00001 56 4YY -0.00258 0.00026 -0.00013 0.00133 0.00005 57 4ZZ 0.00336 0.00567 0.00314 -0.00042 -0.00011 58 4XY -0.00144 -0.00151 0.00105 0.00007 -0.00001 59 4XZ -0.00060 0.00016 0.00100 0.00128 0.00005 60 4YZ -0.00064 0.00078 -0.00167 0.00106 0.00009 61 5 C 1S 0.01311 0.00381 -0.00348 -0.00236 -0.00035 62 2S -0.02268 -0.00986 0.00517 0.00299 0.00054 63 2PX 0.06531 0.02459 -0.01162 -0.01822 -0.00036 64 2PY -0.01718 0.01252 -0.00780 0.01600 -0.00008 65 2PZ -0.04681 -0.01384 0.02513 0.00412 0.00076 66 3S -0.06191 -0.01100 0.02380 0.01167 0.00171 67 3PX 0.03593 0.00871 -0.01073 -0.01062 -0.00035 68 3PY -0.01390 0.01969 0.00107 0.01567 0.00007 69 3PZ -0.02411 -0.00260 0.01505 0.00319 0.00046 70 4XX -0.00046 0.00163 0.00205 0.00065 0.00006 71 4YY 0.00085 -0.00143 -0.00180 0.00018 0.00000 72 4ZZ 0.00166 -0.00045 -0.00058 -0.00151 -0.00007 73 4XY -0.00174 -0.00133 0.00012 0.00093 -0.00001 74 4XZ 0.00292 0.00088 -0.00124 -0.00014 -0.00001 75 4YZ -0.00025 -0.00013 -0.00139 0.00026 0.00005 76 6 C 1S -0.00219 -0.00079 -0.00504 0.00764 -0.00014 77 2S -0.01800 -0.00485 0.01555 -0.00396 0.00036 78 2PX 0.00515 -0.02907 -0.01319 -0.01655 -0.00090 79 2PY -0.08499 0.00006 0.04883 -0.00308 0.00028 80 2PZ 0.04253 0.00316 -0.01168 -0.04323 -0.00089 81 3S -0.00699 -0.00547 0.01195 0.00647 0.00071 82 3PX 0.02003 -0.02961 -0.02142 -0.02113 -0.00118 83 3PY -0.02323 -0.00540 0.00733 -0.00345 -0.00002 84 3PZ 0.02046 -0.01332 -0.00761 -0.02031 -0.00014 85 4XX -0.00182 0.00032 0.00178 0.00101 0.00010 86 4YY 0.00642 -0.00066 -0.00506 -0.00003 -0.00018 87 4ZZ -0.00234 0.00170 0.00134 -0.00003 0.00002 88 4XY -0.00039 0.00147 0.00021 0.00093 0.00005 89 4XZ 0.00340 0.00530 -0.00078 0.00191 -0.00005 90 4YZ 0.00410 0.00031 -0.00249 -0.00173 -0.00020 91 7 H 1S -0.06018 -0.00164 0.01990 0.00236 0.00081 92 2S -0.06560 0.00208 0.03592 0.00209 0.00147 93 8 H 1S 0.11163 -0.03751 0.03855 0.06087 -0.00203 94 2S 0.05136 -0.03641 0.02570 0.04161 0.00088 95 9 H 1S -0.05395 0.00252 -0.00017 0.01405 -0.00033 96 2S -0.05132 0.00957 -0.00649 0.02119 0.00003 97 10 H 1S 0.02092 0.01982 0.02578 -0.00544 -0.00086 98 2S 0.02507 0.04661 0.03336 -0.00233 -0.00103 99 11 H 1S 0.01612 -0.00418 -0.01296 -0.00566 -0.00017 100 2S 0.02477 0.00015 -0.01710 -0.00732 -0.00039 101 12 H 1S 0.05322 -0.00062 -0.03275 0.00182 -0.00046 102 2S 0.05941 -0.00551 -0.04660 -0.00343 -0.00112 103 13 H 1S 0.02356 0.01370 0.00497 -0.00836 0.00027 104 2S 0.02297 0.02957 0.00938 0.00074 0.00023 105 14 H 1S -0.01502 -0.03447 -0.00226 -0.00079 0.00050 106 2S -0.01376 -0.02833 -0.00081 -0.00004 0.00001 107 15 C 1S 0.00180 -0.00602 -0.00355 -0.00326 -0.00073 108 2S -0.00136 0.01485 0.00374 0.01037 0.00068 109 2PX 0.02214 0.02983 -0.00268 0.00666 -0.00075 110 2PY 0.01124 0.01357 0.00680 0.00130 0.00005 111 2PZ 0.00471 0.01380 -0.00870 0.01235 -0.00027 112 3S 0.00523 0.02069 0.00411 0.01025 0.00014 113 3PX 0.01598 0.02878 -0.00352 0.01176 0.00002 114 3PY -0.00057 0.00180 -0.00221 0.00331 0.00001 115 3PZ 0.00405 0.01374 -0.00167 0.00582 -0.00049 116 4XX -0.00201 -0.00154 -0.00031 0.00088 -0.00008 117 4YY -0.00025 0.00116 0.00011 0.00057 0.00000 118 4ZZ 0.00264 -0.00164 -0.00033 -0.00229 0.00003 119 4XY 0.00148 -0.00405 -0.00142 -0.00286 -0.00001 120 4XZ -0.00013 -0.00434 -0.00108 -0.00204 -0.00014 121 4YZ -0.00005 -0.00457 -0.00177 -0.00225 -0.00004 122 16 C 1S 0.00054 -0.00684 0.00000 -0.00510 -0.00013 123 2S 0.00015 0.01759 0.00211 0.00931 0.00020 124 2PX -0.01601 0.06940 0.02336 0.04609 0.00029 125 2PY -0.01386 -0.01267 -0.00347 -0.00077 0.00023 126 2PZ -0.01087 0.06700 0.02405 0.03744 0.00057 127 3S -0.01583 0.02583 0.00756 0.02020 0.00058 128 3PX -0.01135 0.06199 0.02273 0.03711 0.00019 129 3PY -0.00543 -0.02751 -0.00858 -0.01205 -0.00002 130 3PZ -0.00497 0.04225 0.01208 0.02568 0.00055 131 4XX -0.00046 0.00154 0.00065 0.00092 0.00000 132 4YY 0.00001 0.00039 -0.00041 0.00063 0.00001 133 4ZZ 0.00080 -0.00298 -0.00042 -0.00198 -0.00004 134 4XY 0.00111 0.00146 -0.00024 0.00013 -0.00005 135 4XZ -0.00195 -0.00054 0.00065 0.00062 0.00002 136 4YZ 0.00064 0.00051 -0.00063 0.00050 -0.00004 137 17 C 1S 0.00094 -0.00300 -0.00022 -0.00183 -0.00009 138 2S 0.00127 0.01039 0.00173 0.00465 0.00005 139 2PX 0.00187 0.00524 0.00230 0.00312 0.00001 140 2PY 0.00092 -0.00692 -0.00236 -0.00256 -0.00017 141 2PZ -0.00741 0.00286 -0.00161 0.00213 0.00037 142 3S 0.00125 0.00937 0.00196 0.00541 0.00004 143 3PX 0.00035 -0.01783 -0.00139 -0.00727 0.00007 144 3PY 0.00331 -0.00997 -0.00365 -0.00533 -0.00030 145 3PZ 0.00190 -0.00053 -0.00216 -0.00403 0.00023 146 4XX 0.00161 -0.00123 -0.00034 -0.00156 0.00007 147 4YY -0.00058 0.00008 0.00009 0.00036 -0.00007 148 4ZZ -0.00114 0.00005 0.00003 0.00055 0.00000 149 4XY 0.00034 0.00088 -0.00002 0.00038 0.00005 150 4XZ 0.00143 -0.00114 -0.00035 -0.00146 0.00000 151 4YZ 0.00193 0.00131 -0.00034 -0.00071 0.00005 152 18 O 1S 0.00144 -0.00170 0.00117 -0.00120 0.00003 153 2S -0.00728 0.00501 -0.00105 0.00430 0.00029 154 2PX 0.02296 0.00606 -0.00431 -0.01173 0.00189 155 2PY -0.00489 -0.01112 -0.00434 -0.00846 -0.00082 156 2PZ 0.05106 -0.00746 -0.01534 -0.03939 0.00109 157 3S -0.00297 0.01930 -0.00177 0.00850 0.00056 158 3PX 0.01867 -0.00007 -0.00417 -0.01153 0.00131 159 3PY -0.00433 -0.01577 -0.00375 -0.00897 -0.00067 160 3PZ 0.03327 -0.00944 -0.01007 -0.02901 0.00086 161 4XX 0.00091 -0.00020 -0.00041 -0.00044 -0.00003 162 4YY 0.00034 0.00150 0.00035 0.00067 0.00004 163 4ZZ -0.00145 -0.00106 0.00060 0.00020 -0.00004 164 4XY -0.00080 0.00012 0.00034 0.00044 -0.00009 165 4XZ 0.00037 -0.00182 -0.00029 -0.00077 -0.00007 166 4YZ -0.00217 -0.00051 0.00048 0.00129 -0.00002 167 19 H 1S 0.00796 0.01782 0.01074 0.00167 0.00048 168 2S 0.00756 0.02039 0.01380 0.00013 0.00043 169 20 H 1S 0.00977 -0.01278 -0.00786 -0.00834 -0.00030 170 2S 0.01501 -0.03174 -0.01639 -0.01833 -0.00041 171 21 H 1S -0.00792 0.00602 0.00032 0.00599 0.00017 172 2S -0.01359 -0.00450 0.00105 0.00647 0.00001 173 22 O 1S -0.00149 0.00036 -0.00011 0.00205 0.00009 174 2S 0.00641 -0.00155 -0.00105 -0.00568 -0.00030 175 2PX 0.00852 -0.02171 -0.00217 -0.01802 0.00010 176 2PY 0.00834 0.00127 0.00103 -0.00502 -0.00007 177 2PZ -0.01135 -0.03543 0.00042 -0.01215 -0.00015 178 3S 0.00587 0.00152 0.00014 -0.00464 -0.00071 179 3PX 0.00557 -0.02051 -0.00226 -0.01528 0.00000 180 3PY 0.00721 0.00686 0.00143 -0.00110 -0.00011 181 3PZ -0.00620 -0.03490 -0.00287 -0.01449 -0.00016 182 4XX -0.00044 0.00213 0.00082 0.00124 0.00003 183 4YY 0.00061 0.00047 -0.00010 0.00001 0.00001 184 4ZZ -0.00001 -0.00210 -0.00084 -0.00107 -0.00001 185 4XY 0.00006 -0.00107 -0.00008 -0.00071 0.00001 186 4XZ -0.00034 -0.00041 0.00016 -0.00001 0.00000 187 4YZ -0.00041 -0.00051 0.00018 0.00003 -0.00001 188 23 H 1S 0.00698 -0.00701 -0.00194 -0.00765 0.00009 189 2S 0.01046 -0.02741 -0.00599 -0.02104 0.00027 26 27 28 29 30 26 4YY 0.00115 27 4ZZ -0.00055 0.00110 28 4XY 0.00010 -0.00021 0.00077 29 4XZ 0.00028 -0.00017 0.00002 0.00070 30 4YZ -0.00006 0.00015 -0.00032 -0.00039 0.00134 31 3 C 1S 0.00121 -0.00362 -0.00128 0.00125 0.00482 32 2S -0.00333 0.00683 0.00250 -0.00243 -0.00896 33 2PX 0.00045 -0.00425 0.00553 -0.00985 0.00406 34 2PY 0.01327 -0.00905 0.00056 0.00317 -0.00230 35 2PZ -0.00353 -0.00331 0.00434 -0.00244 -0.00890 36 3S -0.00245 0.00651 0.00289 0.00010 -0.01073 37 3PX 0.00142 -0.00442 0.00489 -0.00561 0.00132 38 3PY 0.00390 -0.00289 -0.00013 -0.00002 -0.00060 39 3PZ -0.00120 -0.00262 0.00337 -0.00237 -0.00332 40 4XX -0.00012 0.00007 -0.00022 0.00014 0.00052 41 4YY 0.00096 -0.00069 0.00013 0.00045 -0.00038 42 4ZZ -0.00047 0.00016 -0.00017 -0.00046 0.00038 43 4XY -0.00005 0.00002 0.00001 0.00021 0.00005 44 4XZ 0.00026 -0.00040 -0.00009 0.00017 -0.00030 45 4YZ -0.00008 0.00031 -0.00014 -0.00007 0.00039 46 4 C 1S 0.00084 -0.00123 -0.00009 0.00097 -0.00088 47 2S -0.00166 0.00202 0.00010 -0.00212 0.00188 48 2PX 0.00297 -0.00498 -0.00083 0.00441 -0.00294 49 2PY -0.00122 0.00142 0.00141 -0.00173 0.00218 50 2PZ -0.00318 0.00489 0.00066 -0.00494 0.00269 51 3S -0.00463 0.00426 -0.00151 -0.00276 0.00347 52 3PX 0.00173 -0.00267 0.00010 0.00257 -0.00249 53 3PY 0.00016 0.00012 0.00119 -0.00113 0.00223 54 3PZ -0.00177 0.00201 -0.00006 -0.00265 0.00177 55 4XX -0.00013 0.00034 -0.00024 0.00028 0.00002 56 4YY 0.00035 -0.00027 0.00006 0.00006 -0.00004 57 4ZZ -0.00012 -0.00016 0.00026 -0.00023 -0.00020 58 4XY -0.00008 -0.00007 -0.00006 0.00010 -0.00004 59 4XZ 0.00025 -0.00033 -0.00008 0.00020 0.00006 60 4YZ 0.00006 0.00005 0.00005 -0.00018 0.00002 61 5 C 1S -0.00016 0.00006 -0.00019 0.00011 0.00014 62 2S 0.00029 -0.00012 0.00042 -0.00015 -0.00067 63 2PX 0.00029 -0.00036 0.00099 -0.00019 0.00117 64 2PY 0.00184 -0.00130 -0.00100 0.00036 0.00007 65 2PZ -0.00088 0.00025 0.00074 -0.00048 -0.00095 66 3S 0.00200 -0.00190 0.00316 -0.00127 -0.00103 67 3PX 0.00052 -0.00053 0.00054 -0.00016 0.00135 68 3PY 0.00223 -0.00173 -0.00070 0.00043 0.00022 69 3PZ -0.00037 -0.00022 0.00025 -0.00036 -0.00098 70 4XX 0.00001 -0.00005 0.00043 -0.00007 0.00011 71 4YY -0.00009 0.00003 -0.00006 0.00001 -0.00010 72 4ZZ 0.00003 0.00008 -0.00040 0.00004 0.00011 73 4XY 0.00007 -0.00016 -0.00004 0.00014 -0.00020 74 4XZ -0.00004 0.00002 0.00000 0.00002 -0.00009 75 4YZ -0.00002 0.00011 0.00006 -0.00013 0.00019 76 6 C 1S -0.00101 -0.00001 0.00018 0.00027 -0.00211 77 2S 0.00208 -0.00008 -0.00030 -0.00062 0.00444 78 2PX -0.00238 0.00204 -0.00905 0.00203 -0.00466 79 2PY 0.00429 -0.00059 0.00091 -0.00086 0.00633 80 2PZ 0.00262 0.00258 -0.00719 -0.00004 0.00605 81 3S 0.00177 0.00061 -0.00034 -0.00094 0.00699 82 3PX -0.00133 0.00192 -0.00702 0.00233 -0.00236 83 3PY 0.00120 0.00061 0.00063 -0.00008 0.00322 84 3PZ -0.00025 0.00243 -0.00475 -0.00025 0.00245 85 4XX -0.00014 0.00001 0.00025 -0.00002 -0.00016 86 4YY -0.00003 -0.00025 0.00002 0.00012 -0.00015 87 4ZZ 0.00017 0.00009 -0.00023 0.00001 -0.00012 88 4XY -0.00007 -0.00001 -0.00017 -0.00005 -0.00015 89 4XZ -0.00008 0.00001 -0.00047 0.00007 -0.00009 90 4YZ 0.00038 -0.00028 -0.00009 0.00005 0.00029 91 7 H 1S 0.00186 0.00087 0.00413 0.00003 -0.00776 92 2S -0.00152 0.00200 0.00450 -0.00047 -0.00806 93 8 H 1S -0.00398 0.00567 -0.00596 -0.00814 0.01198 94 2S -0.00348 0.00600 -0.00552 -0.00608 0.01152 95 9 H 1S 0.00812 -0.00390 0.00110 0.00251 -0.00540 96 2S 0.00887 -0.00647 0.00127 0.00294 -0.00316 97 10 H 1S 0.00025 -0.00164 0.00076 0.00061 -0.00052 98 2S 0.00042 -0.00286 0.00152 0.00015 -0.00176 99 11 H 1S 0.00009 0.00061 -0.00118 0.00007 0.00062 100 2S -0.00011 0.00099 -0.00307 0.00015 0.00105 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 H 1S -0.00023 0.00005 0.00205 -0.00071 0.00073 104 2S -0.00044 0.00039 0.00214 -0.00074 0.00096 105 14 H 1S 0.00001 -0.00025 -0.00095 0.00152 -0.00018 106 2S 0.00008 0.00050 -0.00208 0.00261 -0.00057 107 15 C 1S -0.00019 -0.00079 0.00064 -0.00042 0.00008 108 2S -0.00014 0.00054 -0.00110 0.00088 -0.00014 109 2PX -0.00203 0.00379 -0.00483 0.00371 -0.00084 110 2PY -0.00055 0.00138 -0.00092 0.00057 -0.00005 111 2PZ -0.00171 0.00331 -0.00453 0.00410 -0.00075 112 3S -0.00167 0.00223 -0.00139 0.00138 -0.00157 113 3PX -0.00135 0.00275 -0.00429 0.00247 0.00007 114 3PY 0.00028 0.00112 -0.00220 0.00125 0.00037 115 3PZ -0.00116 0.00202 -0.00254 0.00261 -0.00142 116 4XX 0.00002 0.00034 -0.00016 0.00009 0.00004 117 4YY 0.00008 -0.00010 0.00001 -0.00003 -0.00002 118 4ZZ -0.00005 -0.00020 0.00016 -0.00007 0.00003 119 4XY 0.00003 -0.00001 -0.00002 0.00001 -0.00002 120 4XZ -0.00004 0.00024 -0.00009 0.00012 0.00001 121 4YZ -0.00001 -0.00005 -0.00005 0.00003 -0.00003 122 16 C 1S -0.00010 0.00004 0.00000 -0.00007 -0.00005 123 2S 0.00011 -0.00016 -0.00029 0.00010 -0.00032 124 2PX -0.00035 0.00074 -0.00042 0.00113 0.00001 125 2PY 0.00051 -0.00118 0.00071 -0.00026 0.00007 126 2PZ -0.00016 0.00058 0.00046 0.00087 0.00003 127 3S 0.00130 -0.00033 -0.00078 0.00070 0.00103 128 3PX -0.00030 0.00036 -0.00031 0.00039 -0.00091 129 3PY 0.00056 -0.00039 -0.00069 0.00027 0.00071 130 3PZ 0.00012 0.00040 -0.00021 0.00058 0.00087 131 4XX 0.00004 0.00008 0.00016 -0.00003 0.00005 132 4YY 0.00000 0.00000 -0.00008 0.00003 -0.00004 133 4ZZ -0.00003 -0.00006 0.00002 -0.00005 0.00001 134 4XY -0.00008 0.00023 -0.00031 0.00019 -0.00002 135 4XZ 0.00006 -0.00007 0.00031 -0.00005 0.00011 136 4YZ -0.00008 0.00020 -0.00030 0.00021 -0.00004 137 17 C 1S 0.00002 -0.00012 0.00007 -0.00017 0.00003 138 2S -0.00008 0.00036 -0.00038 0.00037 -0.00012 139 2PX 0.00020 0.00074 -0.00013 0.00031 0.00002 140 2PY 0.00003 0.00072 -0.00085 0.00048 -0.00028 141 2PZ 0.00024 -0.00003 -0.00004 -0.00002 -0.00005 142 3S -0.00007 0.00060 -0.00040 0.00059 -0.00008 143 3PX -0.00005 0.00013 0.00075 -0.00011 0.00037 144 3PY -0.00019 0.00076 -0.00114 0.00051 -0.00010 145 3PZ -0.00008 -0.00071 0.00007 -0.00021 -0.00013 146 4XX -0.00006 -0.00019 0.00006 -0.00005 -0.00002 147 4YY 0.00001 0.00006 -0.00001 0.00003 0.00001 148 4ZZ 0.00006 0.00007 0.00001 0.00000 0.00002 149 4XY 0.00001 -0.00007 0.00009 -0.00002 0.00002 150 4XZ -0.00009 -0.00016 0.00003 -0.00003 -0.00001 151 4YZ -0.00002 -0.00013 0.00014 -0.00003 0.00003 152 18 O 1S 0.00028 0.00067 -0.00019 0.00018 -0.00005 153 2S -0.00039 -0.00127 0.00052 -0.00032 -0.00006 154 2PX -0.00082 -0.00346 0.00193 -0.00084 0.00022 155 2PY -0.00040 -0.00045 -0.00018 -0.00034 -0.00009 156 2PZ -0.00148 -0.00451 0.00238 -0.00090 -0.00001 157 3S -0.00028 -0.00241 0.00047 -0.00121 0.00080 158 3PX -0.00044 -0.00271 0.00153 -0.00093 0.00048 159 3PY -0.00032 -0.00014 0.00013 -0.00014 -0.00010 160 3PZ -0.00085 -0.00364 0.00237 -0.00098 0.00000 161 4XX -0.00010 0.00012 -0.00017 0.00017 -0.00007 162 4YY 0.00003 0.00001 0.00003 0.00002 -0.00007 163 4ZZ 0.00006 0.00005 0.00013 -0.00009 0.00001 164 4XY 0.00003 0.00014 -0.00008 0.00003 -0.00004 165 4XZ -0.00002 0.00007 -0.00003 0.00004 0.00001 166 4YZ 0.00009 0.00013 -0.00005 -0.00001 0.00001 167 19 H 1S 0.00024 -0.00076 0.00114 -0.00097 0.00011 168 2S 0.00047 -0.00211 0.00285 -0.00166 -0.00013 169 20 H 1S -0.00033 0.00053 -0.00141 0.00031 -0.00024 170 2S -0.00052 0.00087 -0.00233 0.00077 0.00015 171 21 H 1S 0.00029 0.00050 -0.00017 0.00019 0.00001 172 2S 0.00042 0.00117 0.00023 0.00015 0.00039 173 22 O 1S 0.00005 -0.00009 0.00039 0.00001 0.00016 174 2S -0.00012 0.00025 -0.00091 0.00006 -0.00020 175 2PX -0.00069 -0.00045 -0.00128 -0.00034 -0.00087 176 2PY -0.00036 0.00042 -0.00035 0.00013 -0.00017 177 2PZ -0.00069 -0.00152 -0.00076 -0.00058 -0.00064 178 3S -0.00057 0.00027 -0.00184 0.00001 -0.00139 179 3PX -0.00055 -0.00055 -0.00063 -0.00044 -0.00081 180 3PY -0.00039 0.00036 -0.00066 0.00009 -0.00040 181 3PZ -0.00043 -0.00104 -0.00052 -0.00047 -0.00035 182 4XX 0.00000 -0.00003 0.00005 0.00001 0.00004 183 4YY 0.00000 0.00003 -0.00008 0.00003 0.00002 184 4ZZ 0.00005 0.00005 0.00003 0.00001 0.00007 185 4XY -0.00002 -0.00004 -0.00002 -0.00001 -0.00004 186 4XZ 0.00001 -0.00003 0.00012 0.00000 0.00004 187 4YZ -0.00004 -0.00001 -0.00008 0.00002 -0.00002 188 23 H 1S -0.00041 -0.00097 0.00025 -0.00031 -0.00007 189 2S -0.00060 -0.00196 0.00113 -0.00088 0.00011 31 32 33 34 35 31 3 C 1S 2.05493 32 2S -0.06108 0.32600 33 2PX 0.00137 0.00135 0.34894 34 2PY -0.00186 -0.00372 -0.01259 0.41139 35 2PZ -0.00409 0.00570 -0.03323 -0.01965 0.39186 36 3S -0.19677 0.28869 -0.04142 0.00160 0.00462 37 3PX 0.00513 -0.00814 0.20158 0.02642 0.03981 38 3PY 0.00719 0.00824 0.02145 0.13270 -0.01205 39 3PZ 0.00797 -0.01694 0.04362 0.00316 0.16555 40 4XX -0.01165 -0.01268 -0.00008 -0.00550 -0.00825 41 4YY -0.01845 0.00165 -0.00442 0.02175 -0.00238 42 4ZZ -0.01376 -0.00746 0.00382 -0.00996 0.00779 43 4XY 0.00144 -0.00305 -0.00713 -0.00232 0.00298 44 4XZ 0.00268 -0.00572 0.00067 0.00586 0.00628 45 4YZ 0.00106 -0.00231 0.00357 0.00095 -0.01163 46 4 C 1S 0.01244 -0.02357 -0.03606 0.02998 0.04416 47 2S -0.02396 0.03949 0.07419 -0.05502 -0.09016 48 2PX 0.04790 -0.10347 -0.10578 0.09324 0.15607 49 2PY -0.02375 0.04949 0.08846 -0.03188 -0.07092 50 2PZ -0.04592 0.09406 0.13904 -0.08293 -0.13093 51 3S 0.00574 0.02217 0.05712 -0.11780 -0.11982 52 3PX 0.00940 -0.03226 -0.05668 0.04712 0.07739 53 3PY -0.00508 0.00884 0.04983 0.00330 -0.03350 54 3PZ -0.00844 0.03021 0.07258 -0.04277 -0.05938 55 4XX -0.00124 0.00155 -0.00791 -0.00281 -0.00507 56 4YY 0.00066 -0.00218 -0.00160 0.00988 0.00164 57 4ZZ -0.00153 0.00225 0.00636 -0.00273 0.00848 58 4XY 0.00307 -0.00570 -0.00321 -0.00243 0.00650 59 4XZ 0.00455 -0.00898 -0.00379 0.00623 0.00419 60 4YZ -0.00296 0.00534 0.00633 0.00254 -0.00393 61 5 C 1S -0.00188 0.00452 0.00258 -0.00948 -0.00507 62 2S 0.00482 -0.00915 -0.01152 0.01815 0.01179 63 2PX -0.00233 0.01074 0.01516 -0.00543 -0.01074 64 2PY 0.01008 -0.02606 -0.02638 0.03534 0.01527 65 2PZ 0.00332 -0.00979 -0.00894 0.00623 0.01170 66 3S -0.00249 -0.01275 0.02498 0.08000 0.03943 67 3PX 0.00056 0.00525 0.01173 -0.00078 -0.01385 68 3PY 0.00694 -0.02183 -0.01114 0.05358 0.01822 69 3PZ -0.00008 -0.00677 -0.00007 0.00805 0.01470 70 4XX 0.00016 -0.00042 0.00365 0.00128 0.00196 71 4YY -0.00049 0.00081 -0.00065 -0.00189 -0.00247 72 4ZZ -0.00026 0.00065 -0.00200 -0.00081 -0.00116 73 4XY 0.00116 -0.00266 -0.00330 0.00360 0.00442 74 4XZ -0.00026 0.00086 0.00015 -0.00083 -0.00124 75 4YZ -0.00106 0.00215 0.00485 -0.00280 -0.00362 76 6 C 1S -0.00459 0.00658 -0.00371 -0.01012 -0.00313 77 2S 0.00658 -0.01954 0.00846 0.02795 0.01041 78 2PX -0.00371 0.00845 -0.10395 -0.02503 -0.03146 79 2PY 0.01012 -0.02795 0.02504 0.03608 0.01682 80 2PZ -0.00313 0.01042 -0.03148 -0.01683 -0.05690 81 3S 0.02759 -0.02935 0.01386 0.03316 -0.02658 82 3PX -0.00343 0.00831 -0.09452 -0.02861 -0.04063 83 3PY 0.01020 -0.00626 0.00784 -0.01048 -0.02201 84 3PZ -0.00253 0.00977 -0.02867 -0.01664 -0.04661 85 4XX -0.00044 -0.00028 0.00117 0.00089 0.00130 86 4YY -0.00079 0.00055 -0.00141 -0.00117 -0.00177 87 4ZZ -0.00044 -0.00001 -0.00073 0.00036 0.00002 88 4XY 0.00018 -0.00039 0.00017 0.00082 0.00109 89 4XZ -0.00002 -0.00047 -0.00135 0.00009 -0.00096 90 4YZ 0.00037 -0.00055 0.00099 0.00066 -0.00217 91 7 H 1S -0.00745 0.01733 0.00073 -0.01536 0.03355 92 2S -0.01207 0.02472 0.00396 -0.03065 0.06995 93 8 H 1S 0.01303 -0.02811 0.00993 0.00381 -0.04387 94 2S 0.01856 -0.03297 0.02490 -0.00037 -0.09601 95 9 H 1S -0.05974 0.11313 -0.03567 0.26354 -0.01523 96 2S -0.01318 0.02654 -0.02582 0.24292 0.00120 97 10 H 1S 0.00836 -0.01923 -0.00781 0.00216 0.03479 98 2S 0.01324 -0.02578 0.00587 0.01066 0.08286 99 11 H 1S -0.00412 0.01082 0.00465 -0.01090 -0.01587 100 2S -0.00541 0.01201 0.00032 -0.02099 -0.02861 101 12 H 1S -0.00248 0.00754 -0.00733 -0.00905 -0.00836 102 2S -0.00361 0.01354 -0.02065 -0.02463 -0.02719 103 13 H 1S -0.00198 0.00839 0.02437 -0.00437 -0.00381 104 2S -0.00264 0.00789 0.03233 -0.01229 -0.00475 105 14 H 1S 0.00784 -0.02317 -0.02370 0.00466 0.01467 106 2S 0.01198 -0.02844 -0.06285 0.00792 0.01758 107 15 C 1S -0.00178 0.00203 0.01015 0.00432 0.00361 108 2S 0.00088 -0.01175 -0.01512 -0.00318 -0.00712 109 2PX -0.00337 0.00217 -0.09618 -0.03273 -0.05343 110 2PY 0.00036 -0.00341 -0.02837 -0.01781 -0.01151 111 2PZ -0.00708 0.00896 -0.08500 -0.02216 -0.05579 112 3S 0.01627 -0.00059 -0.03825 -0.03810 0.00095 113 3PX 0.00364 -0.00783 -0.05824 -0.02308 -0.04995 114 3PY -0.00002 -0.00570 -0.03775 0.00623 -0.02707 115 3PZ 0.00155 0.00701 -0.05986 -0.01612 -0.01994 116 4XX -0.00145 0.00260 -0.00450 -0.00217 -0.00488 117 4YY -0.00025 -0.00060 0.00146 0.00225 0.00099 118 4ZZ -0.00002 -0.00077 0.00198 0.00006 0.00252 119 4XY -0.00060 0.00158 -0.00189 0.00082 -0.00154 120 4XZ -0.00108 0.00262 -0.00601 -0.00199 -0.00294 121 4YZ -0.00072 0.00176 -0.00141 0.00062 -0.00120 122 16 C 1S -0.00087 0.00340 -0.00345 -0.00462 -0.00223 123 2S 0.00284 -0.00361 0.00871 0.00685 0.00600 124 2PX 0.00614 -0.01795 0.00238 0.00664 0.00500 125 2PY 0.00131 -0.00280 0.01763 0.01472 0.00876 126 2PZ 0.00598 -0.01530 0.01206 0.00694 0.00834 127 3S -0.00273 -0.01789 0.00114 0.04084 -0.00819 128 3PX 0.00469 -0.01285 0.00853 0.00807 0.02081 129 3PY -0.00257 -0.00144 -0.01040 0.01209 -0.01393 130 3PZ 0.00230 -0.01589 0.00856 0.00736 -0.00722 131 4XX -0.00010 0.00008 0.00067 -0.00035 0.00020 132 4YY 0.00014 -0.00011 -0.00040 0.00008 -0.00049 133 4ZZ -0.00016 0.00093 0.00007 -0.00083 -0.00005 134 4XY -0.00029 0.00009 -0.00546 -0.00217 -0.00308 135 4XZ 0.00012 -0.00031 0.00234 0.00092 0.00171 136 4YZ -0.00042 0.00030 -0.00522 -0.00158 -0.00311 137 17 C 1S 0.00027 0.00024 0.00298 0.00030 0.00114 138 2S -0.00037 -0.00033 -0.00788 -0.00138 -0.00187 139 2PX -0.00136 0.00248 -0.01145 -0.00154 -0.00334 140 2PY -0.00231 0.00450 -0.02131 -0.00325 -0.00769 141 2PZ -0.00019 0.00111 0.00274 0.00073 0.00114 142 3S -0.00011 -0.00143 -0.01460 -0.00083 -0.00542 143 3PX -0.00091 0.00222 -0.00299 -0.00133 -0.00394 144 3PY -0.00177 0.00297 -0.02401 -0.00634 -0.01164 145 3PZ 0.00031 -0.00114 0.01039 0.00087 0.00566 146 4XX 0.00038 -0.00037 0.00278 0.00051 0.00110 147 4YY -0.00008 0.00011 -0.00156 -0.00022 -0.00039 148 4ZZ -0.00012 0.00031 -0.00053 -0.00017 -0.00010 149 4XY 0.00018 -0.00052 0.00176 0.00062 0.00084 150 4XZ 0.00032 -0.00043 0.00163 0.00015 0.00077 151 4YZ 0.00046 -0.00087 0.00279 0.00053 0.00119 152 18 O 1S -0.00086 0.00337 -0.01007 -0.00119 -0.00238 153 2S 0.00268 -0.00668 0.02195 0.00203 0.00741 154 2PX 0.00889 -0.01756 0.06629 0.01290 0.02472 155 2PY 0.00038 0.00094 -0.00084 -0.00424 -0.00145 156 2PZ 0.00866 -0.01317 0.06210 0.01558 0.02921 157 3S 0.00061 -0.01745 0.05590 0.00873 0.00522 158 3PX 0.00484 -0.01409 0.05227 0.01129 0.01698 159 3PY -0.00011 0.00345 -0.00650 -0.00475 -0.00071 160 3PZ 0.00749 -0.00983 0.05299 0.01507 0.02888 161 4XX -0.00003 0.00044 -0.00442 -0.00134 -0.00168 162 4YY 0.00025 0.00059 0.00045 0.00067 0.00094 163 4ZZ 0.00030 0.00092 0.00040 -0.00036 0.00115 164 4XY -0.00038 0.00095 -0.00295 -0.00044 -0.00067 165 4XZ -0.00027 0.00084 -0.00236 -0.00032 -0.00077 166 4YZ -0.00036 0.00061 -0.00133 0.00013 -0.00079 167 19 H 1S 0.00589 -0.01362 0.02038 0.00124 0.02039 168 2S 0.00655 -0.01226 0.04793 0.01065 0.04126 169 20 H 1S -0.00232 0.00538 -0.01953 -0.00854 -0.01188 170 2S -0.00405 0.00722 -0.03565 -0.01617 -0.03079 171 21 H 1S -0.00090 0.00132 -0.00532 -0.00104 -0.00240 172 2S -0.00194 0.00386 -0.01249 -0.00334 -0.00852 173 22 O 1S 0.00002 -0.00145 0.00291 0.00133 0.00101 174 2S -0.00038 0.00284 -0.00860 -0.00304 -0.00527 175 2PX -0.00122 0.00718 -0.00223 -0.00519 -0.00202 176 2PY -0.00050 0.00170 -0.00768 -0.00657 -0.00397 177 2PZ -0.00102 0.00620 0.00800 0.00389 0.00418 178 3S 0.00101 0.00704 -0.01488 -0.00944 0.00561 179 3PX -0.00035 0.00720 0.00156 -0.00443 0.00312 180 3PY -0.00002 0.00141 -0.00583 -0.00675 -0.00124 181 3PZ -0.00184 0.00707 0.00302 0.00182 -0.00072 182 4XX 0.00036 -0.00081 0.00128 0.00060 0.00031 183 4YY -0.00018 -0.00013 -0.00076 0.00003 -0.00104 184 4ZZ -0.00033 0.00024 -0.00126 -0.00029 -0.00124 185 4XY 0.00006 0.00026 0.00034 0.00010 0.00031 186 4XZ 0.00003 -0.00020 0.00061 0.00015 0.00021 187 4YZ -0.00003 0.00005 -0.00071 -0.00019 -0.00044 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 0.29353 37 3PX -0.03134 0.13460 38 3PY -0.00441 0.02086 0.05434 39 3PZ -0.02127 0.05105 0.00138 0.08688 40 4XX -0.01007 -0.00215 -0.00209 -0.00292 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 0.00000 0.00012 44 4XZ -0.00466 0.00247 0.00207 0.00273 -0.00009 45 4YZ -0.00248 0.00016 0.00083 -0.00367 0.00033 46 4 C 1S 0.00108 -0.00169 0.00483 0.00524 -0.00217 47 2S 0.01380 0.01259 -0.01502 -0.01805 0.00325 48 2PX -0.06879 -0.04388 0.00853 0.05917 0.00835 49 2PY 0.03176 0.03958 -0.01132 -0.02975 0.00373 50 2PZ 0.09340 0.03897 -0.01734 -0.04188 0.00581 51 3S -0.00960 -0.01347 -0.02719 -0.03146 0.00542 52 3PX -0.01393 -0.02374 0.00357 0.02816 0.00303 53 3PY 0.00118 0.02542 -0.00175 -0.00868 0.00205 54 3PZ 0.02438 0.02246 -0.00471 -0.01695 0.00314 55 4XX 0.00362 -0.00668 -0.00209 -0.00403 0.00072 56 4YY -0.00155 0.00045 0.00350 0.00121 -0.00030 57 4ZZ -0.00028 0.00567 -0.00007 0.00431 -0.00057 58 4XY -0.00384 -0.00178 -0.00226 0.00329 0.00043 59 4XZ -0.00794 -0.00103 0.00120 0.00202 0.00031 60 4YZ 0.00518 0.00285 0.00178 -0.00106 0.00007 61 5 C 1S 0.00064 0.00005 -0.00297 -0.00497 0.00045 62 2S -0.00690 -0.00391 0.00873 0.00965 -0.00095 63 2PX -0.01495 0.01466 0.02170 -0.02705 0.00047 64 2PY -0.02631 -0.01499 0.01262 0.01784 -0.00243 65 2PZ -0.01130 -0.00689 -0.01255 0.01019 -0.00109 66 3S -0.00945 0.02906 0.02682 0.03637 -0.00264 67 3PX -0.01044 0.00962 0.01197 -0.01674 -0.00002 68 3PY -0.01954 -0.00004 0.01613 0.01327 -0.00159 69 3PZ -0.00764 -0.00018 -0.00303 0.01048 -0.00061 70 4XX -0.00068 0.00402 0.00000 0.00059 -0.00003 71 4YY 0.00049 -0.00173 -0.00037 -0.00042 0.00006 72 4ZZ 0.00034 -0.00215 0.00033 -0.00125 0.00010 73 4XY -0.00074 -0.00167 -0.00002 0.00246 0.00019 74 4XZ 0.00067 0.00003 0.00076 -0.00127 0.00006 75 4YZ 0.00239 0.00205 -0.00053 -0.00114 0.00022 76 6 C 1S 0.02759 -0.00343 -0.01020 -0.00253 -0.00044 77 2S -0.02936 0.00831 0.00626 0.00977 -0.00028 78 2PX 0.01388 -0.09452 -0.00785 -0.02866 0.00117 79 2PY -0.03316 0.02861 -0.01048 0.01664 -0.00089 80 2PZ -0.02656 -0.04064 0.02200 -0.04662 0.00130 81 3S -0.04354 0.01186 0.00696 -0.00804 0.00016 82 3PX 0.01188 -0.08214 -0.00690 -0.03536 0.00162 83 3PY -0.00697 0.00689 -0.01224 -0.00961 0.00008 84 3PZ -0.00803 -0.03537 0.00961 -0.03039 0.00069 85 4XX 0.00016 0.00161 -0.00008 0.00069 0.00004 86 4YY 0.00058 -0.00113 0.00026 -0.00130 -0.00005 87 4ZZ 0.00039 -0.00100 0.00042 0.00006 0.00011 88 4XY -0.00049 -0.00039 0.00061 0.00089 -0.00008 89 4XZ -0.00045 -0.00136 0.00046 -0.00148 0.00005 90 4YZ -0.00199 0.00057 0.00084 -0.00190 0.00002 91 7 H 1S 0.03976 0.00069 -0.00618 0.02891 -0.00008 92 2S 0.04600 0.00681 -0.01434 0.04556 -0.00094 93 8 H 1S -0.05138 -0.00537 0.00707 -0.01815 0.00274 94 2S -0.05570 -0.00627 0.00967 -0.03605 0.00426 95 9 H 1S 0.11156 -0.00248 0.08502 -0.01081 -0.00811 96 2S 0.03260 0.00816 0.07297 0.00333 -0.00547 97 10 H 1S -0.03973 0.00862 -0.00045 0.01726 -0.00315 98 2S -0.04434 0.02829 0.00504 0.03716 -0.00459 99 11 H 1S 0.01435 -0.00147 0.00439 -0.00935 0.00148 100 2S 0.01289 -0.01138 0.00183 -0.01853 0.00239 101 12 H 1S 0.00683 -0.00886 0.00887 -0.00707 0.00003 102 2S 0.01579 -0.02052 0.00299 -0.01990 0.00000 103 13 H 1S -0.00715 0.02215 0.00996 -0.01260 -0.00032 104 2S -0.00386 0.02883 0.00251 -0.01210 -0.00043 105 14 H 1S -0.01004 -0.02695 -0.01210 0.00690 0.00852 106 2S -0.00441 -0.04469 -0.01397 -0.00202 0.00744 107 15 C 1S 0.00643 -0.00003 0.00140 0.00539 -0.00117 108 2S -0.00116 -0.00216 -0.00541 -0.00889 0.00203 109 2PX -0.00328 -0.06339 -0.00958 -0.04566 0.00413 110 2PY -0.00310 -0.01665 0.00035 -0.02344 0.00259 111 2PZ 0.03656 -0.06052 -0.02168 -0.04285 0.00356 112 3S 0.01384 -0.01595 -0.01742 -0.01387 0.00247 113 3PX -0.00397 -0.04196 -0.00784 -0.03717 0.00353 114 3PY -0.00071 -0.02789 -0.00033 -0.02218 0.00196 115 3PZ 0.01977 -0.03872 -0.01251 -0.02313 0.00187 116 4XX 0.00639 -0.00377 -0.00275 -0.00391 -0.00016 117 4YY -0.00161 0.00109 0.00074 0.00119 -0.00007 118 4ZZ -0.00388 0.00145 0.00224 0.00186 0.00014 119 4XY -0.00038 -0.00156 0.00189 -0.00098 -0.00005 120 4XZ 0.00235 -0.00458 -0.00115 -0.00211 -0.00007 121 4YZ 0.00168 -0.00232 0.00026 0.00022 -0.00008 122 16 C 1S -0.00191 -0.00291 0.00119 -0.00259 0.00024 123 2S -0.00263 0.00729 0.00026 0.00498 -0.00030 124 2PX 0.00497 0.01483 -0.01266 -0.00067 0.00127 125 2PY -0.00301 0.01430 -0.00281 0.01855 -0.00119 126 2PZ -0.00918 0.02573 -0.00905 -0.00178 0.00139 127 3S -0.00974 0.00298 0.00290 -0.00038 0.00013 128 3PX 0.00119 0.01711 -0.00775 0.00678 0.00034 129 3PY -0.00634 -0.01234 0.00362 -0.00139 0.00014 130 3PZ -0.00801 0.01411 -0.00454 -0.00698 0.00142 131 4XX 0.00043 0.00098 -0.00086 -0.00015 -0.00003 132 4YY 0.00088 -0.00024 -0.00030 -0.00009 0.00002 133 4ZZ -0.00051 -0.00054 0.00100 -0.00011 0.00000 134 4XY -0.00001 -0.00373 -0.00080 -0.00275 0.00022 135 4XZ 0.00077 0.00234 -0.00078 0.00178 -0.00009 136 4YZ 0.00202 -0.00404 -0.00121 -0.00259 0.00017 137 17 C 1S -0.00367 0.00193 0.00126 0.00180 0.00012 138 2S 0.00581 -0.00377 -0.00123 -0.00621 -0.00003 139 2PX 0.01152 -0.00373 -0.00221 -0.01195 -0.00057 140 2PY 0.01391 -0.01391 0.00029 -0.01121 -0.00046 141 2PZ 0.00543 0.00371 -0.00570 0.00117 -0.00027 142 3S 0.00443 -0.00691 -0.00086 -0.00892 0.00036 143 3PX 0.00017 -0.00163 0.00249 -0.00283 -0.00001 144 3PY 0.00331 -0.01830 -0.00133 -0.01092 0.00026 145 3PZ -0.00744 0.00652 0.00362 0.00588 0.00012 146 4XX -0.00272 0.00166 0.00214 0.00123 0.00011 147 4YY 0.00080 -0.00111 -0.00082 -0.00030 -0.00008 148 4ZZ 0.00178 -0.00019 -0.00126 -0.00036 -0.00006 149 4XY 0.00033 0.00147 0.00048 0.00065 -0.00003 150 4XZ -0.00332 0.00067 0.00188 0.00154 0.00013 151 4YZ -0.00359 0.00202 0.00136 0.00160 0.00013 152 18 O 1S 0.00144 -0.00263 0.00207 -0.00641 0.00006 153 2S 0.00391 0.00682 -0.00694 0.01294 -0.00008 154 2PX -0.04867 0.04552 0.02805 0.03115 0.00328 155 2PY -0.02110 -0.01179 -0.00718 0.01289 0.00016 156 2PZ -0.09210 0.03826 0.05302 0.04297 0.00250 157 3S -0.02041 0.02384 -0.00111 0.02507 -0.00019 158 3PX -0.04105 0.03457 0.02403 0.02365 0.00191 159 3PY -0.00961 -0.01156 -0.00612 0.00744 -0.00012 160 3PZ -0.06528 0.03394 0.03854 0.03639 0.00158 161 4XX 0.00033 -0.00300 -0.00034 -0.00159 0.00023 162 4YY 0.00178 0.00115 0.00060 -0.00051 -0.00007 163 4ZZ 0.00200 0.00059 -0.00102 0.00014 -0.00017 164 4XY 0.00204 -0.00209 -0.00096 -0.00127 -0.00014 165 4XZ 0.00053 -0.00173 -0.00002 -0.00067 -0.00003 166 4YZ 0.00375 -0.00076 -0.00165 -0.00120 -0.00017 167 19 H 1S -0.02748 0.02254 0.01069 0.00693 0.00073 168 2S -0.03276 0.04295 0.01625 0.02356 -0.00068 169 20 H 1S 0.00796 -0.02138 0.00249 -0.01045 0.00033 170 2S 0.00730 -0.03644 0.00297 -0.02163 0.00129 171 21 H 1S 0.01210 -0.00159 -0.00877 -0.00402 -0.00031 172 2S 0.02085 -0.00652 -0.01474 -0.00778 -0.00056 173 22 O 1S 0.00457 0.00208 -0.00260 0.00092 -0.00012 174 2S -0.01157 -0.00613 0.00614 -0.00469 0.00034 175 2PX -0.01280 -0.00675 0.01516 -0.00523 0.00028 176 2PY -0.00840 -0.00804 -0.00076 -0.00885 0.00028 177 2PZ -0.00222 -0.00040 0.01151 0.00888 -0.00064 178 3S -0.00785 -0.01127 0.00441 0.00202 -0.00003 179 3PX -0.00780 -0.00338 0.01143 0.00045 -0.00008 180 3PY -0.00526 -0.00638 -0.00116 -0.00584 0.00023 181 3PZ -0.00102 -0.00407 0.00956 0.00422 -0.00059 182 4XX -0.00078 0.00131 0.00004 0.00027 0.00006 183 4YY -0.00018 -0.00066 0.00002 -0.00119 0.00002 184 4ZZ 0.00069 -0.00124 -0.00035 -0.00071 -0.00001 185 4XY -0.00056 0.00016 0.00050 0.00023 -0.00001 186 4XZ -0.00010 0.00064 -0.00005 0.00038 0.00001 187 4YZ 0.00019 -0.00054 0.00017 -0.00034 0.00004 188 23 H 1S -0.01619 0.00530 0.01053 0.00920 0.00061 189 2S -0.02883 0.01288 0.01946 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 0.00156 -0.00143 0.00239 0.00437 -0.00280 47 2S -0.00345 0.00169 -0.00462 -0.00808 0.00538 48 2PX 0.00282 -0.00375 0.00337 0.00314 -0.00632 49 2PY -0.00945 0.00316 0.00344 -0.00565 -0.00256 50 2PZ -0.00289 -0.00993 -0.00554 -0.00345 0.00441 51 3S -0.00724 0.00263 -0.00422 -0.01029 0.00641 52 3PX 0.00228 -0.00258 0.00160 0.00109 -0.00361 53 3PY -0.00365 0.00115 0.00156 -0.00312 -0.00078 54 3PZ -0.00214 -0.00367 -0.00259 -0.00117 0.00221 55 4XX -0.00025 -0.00050 0.00023 -0.00024 -0.00007 56 4YY 0.00084 -0.00035 -0.00017 0.00032 0.00012 57 4ZZ -0.00041 0.00080 0.00011 0.00005 -0.00032 58 4XY -0.00024 0.00003 0.00014 0.00001 -0.00019 59 4XZ 0.00014 0.00018 0.00017 0.00018 -0.00010 60 4YZ 0.00018 -0.00051 -0.00025 0.00001 0.00011 61 5 C 1S -0.00142 0.00046 0.00079 -0.00011 -0.00080 62 2S 0.00319 -0.00115 -0.00142 0.00021 0.00154 63 2PX -0.00069 0.00134 0.00048 0.00108 -0.00075 64 2PY 0.00808 -0.00239 -0.00547 0.00207 0.00493 65 2PZ 0.00084 -0.00022 -0.00059 -0.00078 0.00059 66 3S 0.00575 -0.00201 -0.00197 0.00035 0.00156 67 3PX 0.00022 0.00031 0.00015 0.00028 -0.00036 68 3PY 0.00556 -0.00155 -0.00250 0.00257 0.00195 69 3PZ 0.00032 0.00032 -0.00042 -0.00025 0.00007 70 4XX -0.00010 0.00014 0.00020 0.00013 -0.00011 71 4YY 0.00009 -0.00005 -0.00026 -0.00024 0.00023 72 4ZZ -0.00023 0.00002 0.00012 -0.00004 -0.00014 73 4XY 0.00016 -0.00019 0.00005 0.00006 -0.00017 74 4XZ -0.00006 0.00004 0.00001 0.00006 -0.00001 75 4YZ -0.00012 -0.00025 -0.00011 -0.00007 0.00011 76 6 C 1S -0.00079 -0.00044 -0.00018 -0.00002 -0.00037 77 2S 0.00055 -0.00001 0.00039 -0.00047 0.00055 78 2PX -0.00141 -0.00073 -0.00017 -0.00135 -0.00098 79 2PY 0.00117 -0.00036 0.00082 -0.00009 0.00066 80 2PZ -0.00177 0.00002 -0.00109 -0.00096 0.00217 81 3S 0.00058 0.00039 0.00050 -0.00045 0.00199 82 3PX -0.00113 -0.00100 0.00039 -0.00136 -0.00057 83 3PY -0.00026 -0.00042 0.00061 -0.00046 0.00084 84 3PZ -0.00130 0.00006 -0.00089 -0.00148 0.00190 85 4XX -0.00005 0.00011 0.00008 0.00005 -0.00002 86 4YY 0.00037 -0.00018 -0.00010 0.00001 -0.00011 87 4ZZ -0.00018 0.00007 0.00000 0.00011 0.00007 88 4XY 0.00010 0.00000 -0.00018 0.00011 0.00008 89 4XZ 0.00001 0.00011 -0.00011 0.00039 0.00003 90 4YZ 0.00011 -0.00007 0.00008 -0.00003 -0.00021 91 7 H 1S -0.00252 0.00052 -0.00010 0.00007 0.00104 92 2S -0.00366 0.00154 -0.00001 0.00003 0.00036 93 8 H 1S -0.00556 0.00659 -0.00010 -0.00402 0.00406 94 2S -0.00527 0.00408 -0.00095 -0.00382 0.00629 95 9 H 1S 0.01662 -0.01016 -0.00237 0.00185 -0.00063 96 2S 0.01575 -0.00812 -0.00162 0.00344 -0.00083 97 10 H 1S -0.00269 0.00875 0.00196 -0.00197 -0.00112 98 2S -0.00207 0.00871 0.00230 0.00141 -0.00287 99 11 H 1S -0.00152 -0.00049 0.00075 -0.00039 -0.00062 100 2S -0.00248 -0.00055 0.00054 -0.00038 -0.00067 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 H 1S -0.00102 0.00150 0.00086 0.00039 -0.00054 104 2S -0.00202 0.00252 0.00114 0.00120 -0.00035 105 14 H 1S -0.00239 -0.00292 0.00078 -0.00298 -0.00156 106 2S -0.00166 -0.00322 0.00206 -0.00037 -0.00201 107 15 C 1S 0.00008 -0.00041 -0.00011 -0.00101 -0.00033 108 2S -0.00132 0.00005 0.00072 0.00281 0.00076 109 2PX -0.00200 0.00061 0.00214 0.00601 0.00200 110 2PY -0.00199 0.00069 -0.00057 0.00293 -0.00008 111 2PZ -0.00090 -0.00119 0.00182 0.00182 0.00168 112 3S -0.00286 0.00019 0.00121 0.00361 0.00034 113 3PX -0.00204 0.00070 0.00115 0.00414 0.00204 114 3PY 0.00003 -0.00085 0.00007 0.00154 0.00065 115 3PZ -0.00072 -0.00039 0.00128 0.00210 0.00043 116 4XX 0.00001 -0.00010 -0.00002 -0.00029 0.00009 117 4YY 0.00015 0.00002 -0.00001 0.00009 0.00000 118 4ZZ -0.00003 0.00004 -0.00003 -0.00001 -0.00010 119 4XY 0.00011 -0.00014 -0.00001 -0.00024 -0.00002 120 4XZ 0.00007 -0.00016 0.00011 -0.00027 0.00001 121 4YZ 0.00014 -0.00021 -0.00003 -0.00044 -0.00005 122 16 C 1S -0.00007 0.00001 -0.00027 -0.00049 -0.00025 123 2S 0.00036 0.00038 0.00025 0.00107 0.00040 124 2PX -0.00064 0.00194 0.00123 0.00619 0.00130 125 2PY 0.00103 -0.00083 0.00074 -0.00141 0.00016 126 2PZ -0.00063 0.00185 0.00073 0.00555 0.00105 127 3S 0.00170 0.00004 0.00048 0.00209 0.00116 128 3PX -0.00053 0.00198 0.00048 0.00506 0.00053 129 3PY 0.00098 -0.00133 0.00017 -0.00188 0.00013 130 3PZ -0.00051 0.00116 0.00049 0.00352 0.00100 131 4XX -0.00004 0.00004 -0.00002 0.00011 0.00003 132 4YY -0.00001 -0.00003 0.00003 0.00004 0.00003 133 4ZZ 0.00001 -0.00004 -0.00007 -0.00023 -0.00008 134 4XY -0.00012 0.00002 0.00009 0.00026 0.00010 135 4XZ 0.00006 -0.00003 0.00008 -0.00006 -0.00001 136 4YZ -0.00007 -0.00005 0.00009 0.00011 0.00008 137 17 C 1S 0.00016 0.00000 -0.00009 -0.00028 -0.00002 138 2S -0.00029 0.00021 0.00009 0.00103 0.00011 139 2PX 0.00007 0.00019 0.00001 0.00039 0.00014 140 2PY 0.00011 -0.00036 0.00032 -0.00031 0.00006 141 2PZ 0.00020 0.00013 -0.00026 -0.00035 -0.00013 142 3S -0.00018 0.00015 0.00023 0.00132 0.00028 143 3PX 0.00014 -0.00032 0.00005 -0.00112 0.00004 144 3PY -0.00009 -0.00034 0.00020 -0.00033 0.00009 145 3PZ 0.00009 0.00010 -0.00030 -0.00019 -0.00027 146 4XX 0.00000 -0.00001 -0.00007 -0.00008 -0.00004 147 4YY 0.00002 0.00000 0.00007 0.00004 0.00001 148 4ZZ 0.00000 -0.00003 -0.00001 -0.00008 -0.00002 149 4XY -0.00001 0.00002 0.00002 0.00005 0.00001 150 4XZ -0.00001 0.00001 0.00000 0.00002 -0.00003 151 4YZ -0.00004 0.00006 0.00000 0.00017 0.00001 152 18 O 1S 0.00031 0.00003 0.00009 -0.00002 0.00011 153 2S -0.00072 -0.00014 -0.00028 0.00003 -0.00026 154 2PX -0.00077 0.00034 -0.00102 0.00068 -0.00025 155 2PY 0.00000 -0.00011 -0.00006 -0.00041 -0.00032 156 2PZ 0.00015 0.00078 -0.00019 0.00164 -0.00033 157 3S -0.00078 0.00104 -0.00071 0.00045 0.00033 158 3PX -0.00033 0.00043 -0.00084 0.00008 -0.00012 159 3PY 0.00010 -0.00035 0.00010 -0.00086 -0.00035 160 3PZ 0.00028 0.00031 -0.00031 0.00070 -0.00054 161 4XX -0.00008 -0.00007 0.00009 0.00016 0.00002 162 4YY 0.00004 -0.00002 -0.00001 0.00008 -0.00002 163 4ZZ 0.00001 -0.00003 -0.00003 -0.00015 -0.00008 164 4XY 0.00002 -0.00001 0.00002 0.00003 -0.00001 165 4XZ 0.00005 -0.00005 0.00005 -0.00011 -0.00001 166 4YZ 0.00004 -0.00006 -0.00001 -0.00017 0.00001 167 19 H 1S -0.00119 0.00145 -0.00043 0.00289 -0.00033 168 2S -0.00045 0.00205 -0.00066 0.00206 -0.00100 169 20 H 1S -0.00020 -0.00034 -0.00021 -0.00086 -0.00012 170 2S -0.00042 -0.00109 -0.00013 -0.00197 -0.00006 171 21 H 1S -0.00002 0.00003 -0.00004 0.00001 0.00002 172 2S -0.00005 -0.00026 0.00022 -0.00094 0.00021 173 22 O 1S -0.00012 -0.00010 0.00009 0.00001 0.00003 174 2S 0.00021 0.00019 -0.00022 0.00001 0.00002 175 2PX 0.00017 -0.00013 -0.00113 -0.00181 -0.00051 176 2PY -0.00052 0.00023 -0.00053 0.00036 -0.00004 177 2PZ 0.00105 -0.00053 -0.00061 -0.00291 -0.00067 178 3S 0.00004 0.00037 -0.00019 0.00034 -0.00034 179 3PX 0.00017 -0.00021 -0.00088 -0.00170 -0.00056 180 3PY -0.00054 0.00038 -0.00043 0.00067 -0.00006 181 3PZ 0.00085 -0.00068 -0.00053 -0.00291 -0.00055 182 4XX -0.00001 0.00007 0.00002 0.00018 0.00003 183 4YY -0.00001 0.00001 -0.00003 0.00004 0.00002 184 4ZZ 0.00000 -0.00008 0.00001 -0.00017 -0.00001 185 4XY 0.00003 -0.00002 -0.00002 -0.00010 -0.00002 186 4XZ 0.00000 -0.00001 0.00003 0.00000 0.00000 187 4YZ 0.00001 0.00000 0.00000 -0.00002 -0.00001 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 2.05093 47 2S -0.05356 0.30675 48 2PX -0.00216 0.00247 0.39946 49 2PY -0.00197 0.00049 0.00273 0.38112 50 2PZ 0.00106 -0.00015 0.00826 -0.00398 0.40014 51 3S -0.18822 0.28345 -0.02739 -0.00449 0.02952 52 3PX 0.00084 0.00408 0.18488 0.00135 -0.00023 53 3PY 0.00045 0.00297 0.00883 0.17478 -0.00087 54 3PZ 0.00065 -0.00479 -0.00274 -0.00166 0.17903 55 4XX -0.01716 -0.00165 0.01424 0.00838 0.01102 56 4YY -0.01550 -0.00526 -0.00118 -0.01525 0.00028 57 4ZZ -0.01720 -0.00155 -0.00941 0.01006 -0.01441 58 4XY -0.00095 0.00184 0.01373 0.00048 0.00100 59 4XZ -0.00087 0.00221 0.01147 0.00052 -0.00894 60 4YZ 0.00108 -0.00202 0.00121 -0.00052 0.01457 61 5 C 1S 0.01005 -0.01959 0.00332 0.06220 -0.00196 62 2S -0.01959 0.03093 -0.00746 -0.12851 0.00419 63 2PX 0.00333 -0.00748 0.00232 0.00262 -0.00518 64 2PY -0.06220 0.12851 -0.00259 -0.31517 -0.00029 65 2PZ -0.00194 0.00415 -0.00518 0.00040 0.00448 66 3S 0.00743 0.01043 -0.00699 -0.12405 0.00174 67 3PX 0.00123 -0.00547 -0.00955 -0.00029 0.00001 68 3PY -0.01339 0.04076 0.01499 -0.14739 -0.00991 69 3PZ -0.00140 0.00468 0.00255 0.00430 -0.00656 70 4XX 0.00213 -0.00499 -0.00014 0.00739 -0.00084 71 4YY -0.00691 0.01194 0.00050 -0.00832 -0.00005 72 4ZZ 0.00191 -0.00471 0.00083 0.00779 -0.00006 73 4XY -0.00027 0.00034 0.01106 -0.00012 0.00061 74 4XZ 0.00003 -0.00021 -0.00041 -0.00087 0.00033 75 4YZ 0.00016 -0.00014 0.00058 -0.00013 0.01102 76 6 C 1S -0.00188 0.00482 -0.00233 -0.01008 0.00332 77 2S 0.00452 -0.00915 0.01074 0.02605 -0.00980 78 2PX 0.00258 -0.01152 0.01516 0.02638 -0.00895 79 2PY 0.00947 -0.01815 0.00543 0.03533 -0.00623 80 2PZ -0.00507 0.01180 -0.01074 -0.01528 0.01170 81 3S 0.00063 -0.00690 -0.01493 0.02630 -0.01128 82 3PX 0.00005 -0.00390 0.01466 0.01498 -0.00689 83 3PY 0.00297 -0.00873 -0.02169 0.01261 0.01256 84 3PZ -0.00497 0.00965 -0.02705 -0.01785 0.01018 85 4XX 0.00045 -0.00095 0.00047 0.00244 -0.00109 86 4YY -0.00142 0.00319 -0.00069 -0.00808 0.00085 87 4ZZ 0.00046 -0.00115 0.00134 0.00239 -0.00022 88 4XY -0.00079 0.00142 -0.00048 -0.00547 0.00059 89 4XZ -0.00011 0.00021 0.00108 -0.00207 -0.00078 90 4YZ 0.00080 -0.00154 0.00075 0.00493 -0.00059 91 7 H 1S -0.00076 0.00121 -0.00236 -0.00106 0.00145 92 2S -0.00031 0.00002 0.00181 -0.00123 -0.00429 93 8 H 1S -0.00724 0.01592 -0.02366 0.01142 0.02600 94 2S -0.00969 0.02215 -0.04596 0.01668 0.05317 95 9 H 1S 0.01192 -0.02350 0.02590 -0.03151 -0.02255 96 2S 0.01495 -0.02651 0.05280 -0.05873 -0.04427 97 10 H 1S -0.05232 0.10153 -0.05702 0.09040 -0.24610 98 2S -0.00563 0.02059 -0.05731 0.07742 -0.22661 99 11 H 1S 0.00750 -0.01927 0.00768 0.02963 0.02137 100 2S 0.00828 -0.01896 0.02006 0.05421 0.03577 101 12 H 1S -0.00735 0.01455 -0.00327 -0.03619 0.00280 102 2S -0.00920 0.01851 -0.01492 -0.05934 0.01380 103 13 H 1S 0.00849 -0.02092 -0.02233 0.02680 -0.00814 104 2S 0.01082 -0.02314 -0.03250 0.05105 -0.01880 105 14 H 1S -0.05287 0.10266 0.24469 0.08050 0.06948 106 2S -0.00681 0.02188 0.21797 0.06589 0.06408 107 15 C 1S -0.00252 0.00388 -0.00833 0.00135 -0.00374 108 2S 0.00480 -0.00791 0.01839 -0.00289 0.00643 109 2PX 0.00742 -0.02077 0.02875 -0.00193 0.00451 110 2PY 0.00329 -0.00691 0.01257 -0.00484 0.00858 111 2PZ 0.00118 -0.00214 0.00752 0.00437 -0.00897 112 3S 0.00752 -0.01862 0.03652 -0.00836 0.02679 113 3PX 0.00620 -0.00786 0.01114 0.00189 0.00121 114 3PY 0.00413 -0.00703 0.02235 -0.00382 0.01032 115 3PZ 0.00045 -0.00999 0.01893 0.00287 -0.00721 116 4XX -0.00102 0.00157 -0.00369 0.00007 -0.00053 117 4YY 0.00005 -0.00062 0.00094 -0.00025 -0.00026 118 4ZZ -0.00016 -0.00009 0.00063 -0.00044 0.00031 119 4XY -0.00019 0.00037 -0.00065 -0.00021 0.00053 120 4XZ 0.00002 -0.00007 -0.00012 -0.00013 0.00085 121 4YZ -0.00076 0.00131 -0.00182 -0.00009 -0.00048 122 16 C 1S -0.00111 0.00217 -0.00250 -0.00146 0.00247 123 2S 0.00181 -0.00414 0.00432 0.00201 -0.00326 124 2PX 0.00869 -0.01777 0.02088 0.00592 -0.01050 125 2PY -0.00054 0.00136 0.00079 0.00077 -0.00034 126 2PZ 0.00636 -0.01399 0.01474 0.00442 -0.01053 127 3S 0.00591 -0.00784 0.01472 0.00700 -0.01728 128 3PX 0.00658 -0.01730 0.01932 0.00217 -0.01183 129 3PY -0.00087 0.00302 0.00355 0.00162 0.00358 130 3PZ 0.00574 -0.00704 0.00955 0.00872 -0.00538 131 4XX -0.00012 0.00019 -0.00068 -0.00028 -0.00014 132 4YY 0.00005 0.00008 0.00046 -0.00026 0.00027 133 4ZZ -0.00043 0.00076 -0.00081 -0.00015 0.00080 134 4XY 0.00017 -0.00072 0.00117 -0.00033 0.00008 135 4XZ 0.00013 -0.00013 0.00000 0.00030 0.00001 136 4YZ 0.00020 -0.00039 0.00086 0.00029 -0.00017 137 17 C 1S -0.00054 0.00085 -0.00145 0.00079 0.00008 138 2S 0.00146 -0.00316 0.00494 -0.00162 -0.00042 139 2PX 0.00150 -0.00258 0.00379 -0.00212 0.00053 140 2PY 0.00098 -0.00132 0.00601 -0.00249 0.00263 141 2PZ -0.00051 0.00143 -0.00241 0.00040 -0.00198 142 3S 0.00214 -0.00368 0.00726 -0.00447 -0.00090 143 3PX -0.00085 0.00243 -0.00253 -0.00088 0.00503 144 3PY 0.00014 -0.00061 0.00592 -0.00186 0.00317 145 3PZ -0.00081 0.00134 -0.00148 0.00002 0.00104 146 4XX -0.00030 0.00069 -0.00092 -0.00011 0.00026 147 4YY 0.00022 -0.00059 0.00082 0.00006 -0.00003 148 4ZZ -0.00011 0.00020 -0.00015 0.00007 -0.00029 149 4XY 0.00013 0.00007 -0.00021 0.00007 -0.00022 150 4XZ -0.00006 0.00001 -0.00004 0.00004 0.00048 151 4YZ 0.00009 -0.00026 -0.00002 0.00008 0.00009 152 18 O 1S 0.00044 -0.00157 0.00371 -0.00109 0.00111 153 2S -0.00137 0.00300 -0.00679 0.00234 -0.00124 154 2PX -0.00296 0.01008 -0.01532 0.00093 -0.00048 155 2PY -0.00165 -0.00189 -0.00018 0.00206 0.00205 156 2PZ 0.00003 -0.00152 -0.00340 -0.00211 0.00841 157 3S -0.00055 0.01056 -0.02856 0.00687 -0.01185 158 3PX -0.00206 0.00959 -0.01532 -0.00032 -0.00167 159 3PY -0.00172 -0.00106 0.00127 0.00053 0.00238 160 3PZ -0.00059 -0.00081 -0.00060 -0.00217 0.00828 161 4XX 0.00012 -0.00090 0.00191 -0.00015 0.00081 162 4YY -0.00010 -0.00042 0.00058 -0.00020 0.00036 163 4ZZ -0.00034 -0.00011 0.00008 0.00015 0.00070 164 4XY 0.00009 -0.00065 0.00087 -0.00031 0.00007 165 4XZ -0.00013 -0.00010 0.00037 -0.00003 0.00006 166 4YZ -0.00005 0.00045 -0.00045 0.00006 -0.00042 167 19 H 1S 0.00421 -0.00921 0.01301 -0.00258 0.00493 168 2S 0.00015 -0.00447 -0.00105 0.00321 -0.01332 169 20 H 1S -0.00055 0.00176 -0.00018 0.00125 0.00333 170 2S -0.00210 0.00548 -0.00032 0.00297 0.01127 171 21 H 1S 0.00011 0.00010 0.00004 0.00019 -0.00255 172 2S -0.00052 0.00167 -0.00244 0.00261 -0.00161 173 22 O 1S 0.00015 0.00042 -0.00037 0.00041 -0.00059 174 2S -0.00021 -0.00070 0.00066 -0.00025 0.00108 175 2PX -0.00393 0.00729 -0.00858 -0.00459 0.00520 176 2PY -0.00083 -0.00074 -0.00008 -0.00242 0.00214 177 2PZ -0.00361 0.00760 -0.00807 -0.00167 0.00526 178 3S -0.00062 -0.00499 0.00697 -0.00506 0.00339 179 3PX -0.00366 0.00589 -0.00780 -0.00547 0.00518 180 3PY -0.00033 -0.00159 0.00074 -0.00191 0.00124 181 3PZ -0.00369 0.00832 -0.00906 -0.00125 0.00448 182 4XX 0.00027 -0.00037 0.00026 0.00051 -0.00048 183 4YY 0.00008 0.00010 -0.00004 0.00005 -0.00014 184 4ZZ -0.00004 0.00041 -0.00041 0.00037 0.00005 185 4XY -0.00015 0.00024 -0.00029 -0.00001 0.00011 186 4XZ 0.00001 0.00003 0.00002 0.00013 0.00009 187 4YZ 0.00000 0.00006 0.00011 0.00004 0.00009 188 23 H 1S -0.00114 0.00218 -0.00313 -0.00017 0.00208 189 2S -0.00345 0.00717 -0.01062 0.00033 0.00672 51 52 53 54 55 51 3S 0.31662 52 3PX -0.01343 0.08894 53 3PY -0.00454 0.00399 0.08740 54 3PZ 0.01442 -0.00470 -0.00054 0.08364 55 4XX 0.00061 0.00655 0.00340 0.00441 0.00161 56 4YY -0.00513 -0.00060 -0.00600 0.00026 -0.00038 57 4ZZ -0.00144 -0.00412 0.00421 -0.00604 -0.00066 58 4XY 0.00145 0.00648 0.00089 0.00022 0.00053 59 4XZ 0.00055 0.00512 0.00077 -0.00403 0.00012 60 4YZ -0.00172 0.00046 -0.00034 0.00671 0.00036 61 5 C 1S 0.00743 0.00123 0.01339 -0.00141 0.00213 62 2S 0.01043 -0.00546 -0.04076 0.00469 -0.00499 63 2PX -0.00699 -0.00955 -0.01498 0.00257 -0.00014 64 2PY 0.12406 0.00030 -0.14739 -0.00425 -0.00739 65 2PZ 0.00171 0.00000 0.00996 -0.00656 -0.00084 66 3S -0.02347 -0.00318 -0.02727 0.00287 -0.00733 67 3PX -0.00318 -0.00936 -0.00757 0.00270 -0.00053 68 3PY 0.02728 0.00758 -0.06679 -0.00690 -0.00364 69 3PZ 0.00286 0.00269 0.00692 -0.00628 -0.00072 70 4XX -0.00733 -0.00053 0.00364 -0.00072 0.00003 71 4YY 0.01334 0.00060 -0.00464 -0.00028 -0.00009 72 4ZZ -0.00345 0.00042 0.00364 0.00061 0.00031 73 4XY 0.00013 0.00558 0.00026 -0.00008 0.00041 74 4XZ 0.00019 -0.00055 -0.00122 0.00054 0.00002 75 4YZ -0.00030 0.00002 0.00018 0.00516 0.00030 76 6 C 1S -0.00249 0.00056 -0.00694 -0.00008 0.00016 77 2S -0.01275 0.00525 0.02183 -0.00678 -0.00042 78 2PX 0.02497 0.01175 0.01115 -0.00009 0.00365 79 2PY -0.07999 0.00076 0.05357 -0.00807 -0.00128 80 2PZ 0.03944 -0.01383 -0.01823 0.01469 0.00196 81 3S -0.00945 -0.01044 0.01953 -0.00763 -0.00068 82 3PX 0.02906 0.00963 0.00004 -0.00019 0.00402 83 3PY -0.02681 -0.01197 0.01613 0.00304 0.00000 84 3PZ 0.03637 -0.01673 -0.01327 0.01047 0.00058 85 4XX -0.00265 -0.00002 0.00159 -0.00061 -0.00003 86 4YY 0.00575 0.00023 -0.00556 0.00032 -0.00010 87 4ZZ -0.00201 0.00032 0.00155 0.00032 0.00014 88 4XY 0.00198 -0.00015 -0.00250 0.00042 -0.00020 89 4XZ 0.00035 0.00028 -0.00257 -0.00025 0.00013 90 4YZ -0.00156 0.00036 0.00195 -0.00007 0.00011 91 7 H 1S 0.00394 -0.00101 -0.00013 -0.00072 -0.00012 92 2S 0.00086 0.00221 0.00083 -0.00433 -0.00076 93 8 H 1S 0.04112 -0.02444 0.01411 0.01728 0.00073 94 2S 0.05161 -0.03546 0.01672 0.03123 0.00122 95 9 H 1S -0.07034 0.02243 -0.00898 -0.01991 -0.00107 96 2S -0.07135 0.03188 -0.01736 -0.02753 -0.00228 97 10 H 1S 0.07881 -0.02312 0.04110 -0.11026 -0.00782 98 2S -0.00346 -0.02450 0.03433 -0.09887 -0.00873 99 11 H 1S -0.02030 0.00206 0.01691 0.01668 0.00167 100 2S -0.01040 0.00787 0.02235 0.02285 0.00396 101 12 H 1S 0.04866 0.00062 -0.03681 0.00267 -0.00016 102 2S 0.05329 -0.00390 -0.04916 0.00734 0.00001 103 13 H 1S -0.03329 -0.01772 0.01206 -0.00087 -0.00159 104 2S -0.03855 -0.02212 0.01847 -0.00802 -0.00111 105 14 H 1S 0.08698 0.11388 0.04156 0.02492 0.01312 106 2S 0.00976 0.09997 0.03171 0.02280 0.01314 107 15 C 1S 0.01272 -0.00698 0.00303 -0.00322 -0.00136 108 2S -0.02730 0.01248 -0.00508 0.00394 0.00219 109 2PX -0.02700 0.00066 -0.01966 0.00523 0.00744 110 2PY -0.02356 0.00632 -0.00940 0.00968 0.00215 111 2PZ -0.01479 0.00748 -0.00328 -0.01192 0.00482 112 3S -0.03283 0.01725 -0.01615 0.01053 0.00463 113 3PX -0.01693 -0.00040 -0.01069 0.00267 0.00474 114 3PY -0.01115 0.00820 -0.00503 0.00539 0.00286 115 3PZ -0.01681 0.00773 -0.00600 -0.00719 0.00364 116 4XX 0.00053 -0.00120 -0.00009 -0.00164 0.00008 117 4YY 0.00010 -0.00021 -0.00016 -0.00010 -0.00005 118 4ZZ 0.00097 0.00054 0.00022 0.00151 -0.00012 119 4XY 0.00252 -0.00016 -0.00030 0.00096 0.00002 120 4XZ 0.00241 -0.00067 -0.00049 -0.00008 0.00026 121 4YZ 0.00406 -0.00018 0.00080 -0.00020 -0.00012 122 16 C 1S 0.00507 -0.00016 -0.00059 0.00228 -0.00016 123 2S -0.00646 -0.00019 -0.00054 -0.00320 0.00025 124 2PX -0.06639 0.00532 -0.00025 -0.01256 0.00239 125 2PY 0.01067 0.00062 0.00521 -0.00323 -0.00105 126 2PZ -0.04807 -0.00111 -0.00526 -0.01129 0.00074 127 3S -0.02351 0.00234 0.00615 -0.01199 0.00063 128 3PX -0.04974 0.00344 -0.00337 -0.01093 0.00100 129 3PY 0.01821 0.00168 0.00512 0.00280 0.00021 130 3PZ -0.03325 0.00065 0.00081 -0.00581 0.00097 131 4XX -0.00132 -0.00064 -0.00024 -0.00021 -0.00006 132 4YY -0.00051 0.00060 -0.00012 -0.00002 0.00007 133 4ZZ 0.00260 -0.00021 0.00006 0.00076 -0.00007 134 4XY -0.00093 0.00002 -0.00104 0.00008 0.00035 135 4XZ -0.00191 0.00029 0.00101 -0.00045 -0.00009 136 4YZ -0.00113 0.00053 -0.00020 -0.00033 0.00034 137 17 C 1S 0.00408 -0.00122 0.00091 0.00031 -0.00031 138 2S -0.01163 0.00217 -0.00357 -0.00057 0.00073 139 2PX -0.01698 0.00153 -0.00550 -0.00191 0.00097 140 2PY -0.00750 0.00584 -0.00294 0.00001 0.00137 141 2PZ 0.00016 -0.00061 0.00067 -0.00484 -0.00043 142 3S -0.01288 0.00265 -0.00542 -0.00071 0.00106 143 3PX 0.00459 -0.00041 0.00044 0.00326 0.00011 144 3PY 0.00562 0.00172 -0.00377 0.00148 0.00128 145 3PZ 0.00580 0.00013 0.00114 0.00192 -0.00064 146 4XX 0.00219 0.00009 0.00032 0.00111 -0.00020 147 4YY -0.00107 -0.00010 -0.00016 -0.00035 0.00015 148 4ZZ -0.00025 0.00010 0.00011 -0.00077 -0.00003 149 4XY -0.00194 0.00061 0.00048 0.00010 -0.00004 150 4XZ 0.00198 -0.00010 0.00035 0.00125 -0.00006 151 4YZ 0.00025 -0.00042 0.00011 0.00107 -0.00010 152 18 O 1S -0.00155 0.00042 -0.00367 -0.00071 0.00051 153 2S -0.00300 0.00192 0.00816 0.00097 -0.00101 154 2PX 0.01342 0.00448 0.01167 0.01571 -0.00387 155 2PY 0.03549 -0.01304 0.00111 0.00289 -0.00036 156 2PZ 0.03274 -0.00614 0.00410 0.03341 -0.00241 157 3S 0.01110 -0.01174 0.01352 -0.00008 -0.00312 158 3PX 0.01574 -0.00003 0.00815 0.01213 -0.00320 159 3PY 0.02545 -0.00761 0.00039 0.00170 -0.00004 160 3PZ 0.02359 -0.00190 0.00476 0.02472 -0.00227 161 4XX -0.00072 0.00083 -0.00053 0.00058 0.00032 162 4YY -0.00274 0.00091 -0.00032 -0.00001 0.00003 163 4ZZ -0.00033 0.00005 0.00009 -0.00031 -0.00004 164 4XY -0.00087 -0.00015 -0.00069 -0.00047 0.00017 165 4XZ 0.00093 -0.00011 -0.00013 -0.00010 0.00010 166 4YZ -0.00078 0.00027 0.00010 -0.00133 0.00000 167 19 H 1S -0.02193 0.00374 -0.00555 0.01039 -0.00003 168 2S -0.01602 -0.00225 0.00099 0.00217 -0.00259 169 20 H 1S 0.00835 0.00247 0.00017 0.00378 0.00117 170 2S 0.02173 0.00375 0.00075 0.00921 0.00199 171 21 H 1S -0.00594 0.00051 -0.00054 -0.00588 0.00010 172 2S -0.00472 -0.00073 0.00161 -0.00809 0.00038 173 22 O 1S -0.00489 0.00123 0.00170 -0.00039 -0.00012 174 2S 0.01225 -0.00373 -0.00436 0.00091 0.00034 175 2PX 0.03591 -0.00293 -0.00521 0.00686 -0.00105 176 2PY 0.01184 -0.00707 -0.00814 0.00425 0.00003 177 2PZ 0.03074 0.00085 0.00402 0.00183 -0.00118 178 3S 0.01358 -0.00142 -0.00753 0.00147 0.00070 179 3PX 0.02873 -0.00211 -0.00357 0.00616 -0.00108 180 3PY 0.00689 -0.00480 -0.00663 0.00281 0.00013 181 3PZ 0.03049 -0.00030 0.00307 0.00229 -0.00099 182 4XX -0.00159 -0.00004 0.00025 -0.00035 0.00000 183 4YY 0.00021 -0.00025 -0.00046 0.00005 0.00003 184 4ZZ 0.00074 0.00005 0.00043 0.00006 0.00003 185 4XY 0.00152 -0.00009 -0.00002 0.00013 -0.00007 186 4XZ -0.00053 0.00008 0.00030 0.00008 -0.00001 187 4YZ 0.00006 0.00024 0.00008 -0.00010 0.00005 188 23 H 1S 0.01395 -0.00033 0.00268 0.00684 -0.00083 189 2S 0.03204 -0.00213 0.00670 0.01307 -0.00196 56 57 58 59 60 56 4YY 0.00123 57 4ZZ -0.00029 0.00156 58 4XY -0.00020 -0.00031 0.00089 59 4XZ -0.00003 -0.00001 0.00040 0.00065 60 4YZ 0.00016 -0.00052 -0.00001 -0.00032 0.00095 61 5 C 1S -0.00691 0.00191 0.00027 0.00003 -0.00016 62 2S 0.01194 -0.00471 -0.00034 -0.00021 0.00014 63 2PX 0.00050 0.00084 -0.01106 -0.00040 -0.00058 64 2PY 0.00832 -0.00779 -0.00012 0.00087 -0.00014 65 2PZ -0.00006 -0.00005 -0.00061 0.00033 -0.01102 66 3S 0.01334 -0.00345 -0.00013 0.00019 0.00029 67 3PX 0.00060 0.00042 -0.00558 -0.00054 -0.00002 68 3PY 0.00464 -0.00364 0.00026 0.00122 0.00018 69 3PZ -0.00028 0.00062 0.00008 0.00054 -0.00516 70 4XX -0.00009 0.00031 -0.00041 0.00002 -0.00030 71 4YY -0.00007 -0.00023 0.00008 0.00008 -0.00007 72 4ZZ -0.00023 0.00014 0.00029 -0.00004 0.00041 73 4XY -0.00008 -0.00029 0.00073 0.00033 0.00011 74 4XZ 0.00008 -0.00004 -0.00033 -0.00005 0.00025 75 4YZ 0.00007 -0.00041 0.00011 -0.00025 0.00079 76 6 C 1S -0.00049 -0.00026 -0.00116 -0.00026 0.00106 77 2S 0.00081 0.00065 0.00266 0.00086 -0.00215 78 2PX -0.00065 -0.00200 0.00330 0.00015 -0.00485 79 2PY 0.00189 0.00081 0.00360 0.00083 -0.00279 80 2PZ -0.00247 -0.00116 -0.00442 -0.00124 0.00362 81 3S 0.00049 0.00034 0.00074 0.00067 -0.00238 82 3PX -0.00173 -0.00215 0.00167 0.00002 -0.00205 83 3PY 0.00037 -0.00033 -0.00002 -0.00076 -0.00053 84 3PZ -0.00042 -0.00125 -0.00246 -0.00127 0.00114 85 4XX 0.00006 0.00010 -0.00019 0.00006 -0.00022 86 4YY 0.00009 -0.00023 -0.00017 -0.00006 0.00012 87 4ZZ -0.00005 0.00001 0.00019 0.00004 0.00025 88 4XY 0.00026 -0.00012 0.00005 -0.00001 -0.00011 89 4XZ -0.00024 -0.00004 -0.00006 0.00006 0.00007 90 4YZ -0.00023 0.00014 -0.00017 0.00001 0.00011 91 7 H 1S -0.00007 0.00081 0.00086 -0.00019 -0.00072 92 2S -0.00031 0.00188 0.00188 -0.00024 -0.00174 93 8 H 1S 0.00006 -0.00217 -0.00056 0.00042 0.00069 94 2S -0.00009 -0.00316 -0.00134 -0.00063 0.00166 95 9 H 1S 0.00654 -0.00226 -0.00353 0.00070 0.00328 96 2S 0.00714 -0.00258 -0.00143 0.00284 0.00149 97 10 H 1S -0.00511 0.01314 -0.00170 0.00471 -0.01046 98 2S -0.00338 0.01365 -0.00232 0.00364 -0.00945 99 11 H 1S 0.00191 -0.00098 0.00207 -0.00076 0.00760 100 2S -0.00144 -0.00103 0.00259 -0.00071 0.00746 101 12 H 1S -0.00012 -0.00079 -0.00163 -0.00031 0.00123 102 2S 0.00026 -0.00199 -0.00254 -0.00110 0.00178 103 13 H 1S 0.00270 0.00161 -0.00756 -0.00077 -0.00233 104 2S -0.00044 0.00325 -0.00705 -0.00066 -0.00265 105 14 H 1S -0.00578 -0.00706 0.00990 0.00625 0.00220 106 2S -0.00444 -0.00742 0.00889 0.00502 0.00252 107 15 C 1S 0.00003 0.00050 -0.00038 -0.00042 -0.00008 108 2S -0.00022 -0.00107 0.00071 0.00107 0.00035 109 2PX -0.00283 -0.00457 0.00066 0.00080 -0.00036 110 2PY -0.00071 -0.00135 0.00040 0.00036 -0.00022 111 2PZ -0.00169 -0.00251 0.00003 -0.00008 -0.00084 112 3S -0.00125 -0.00270 0.00136 0.00062 0.00098 113 3PX -0.00209 -0.00276 0.00007 0.00061 -0.00028 114 3PY -0.00033 -0.00257 0.00068 0.00055 0.00030 115 3PZ -0.00131 -0.00178 0.00051 0.00031 -0.00062 116 4XX -0.00006 -0.00011 -0.00012 -0.00013 -0.00010 117 4YY 0.00005 0.00000 0.00001 0.00004 0.00003 118 4ZZ 0.00008 0.00012 0.00004 0.00001 0.00002 119 4XY 0.00005 -0.00006 -0.00003 -0.00005 0.00003 120 4XZ -0.00009 -0.00026 -0.00001 -0.00010 -0.00002 121 4YZ 0.00007 0.00005 -0.00007 -0.00011 -0.00001 122 16 C 1S 0.00001 -0.00016 -0.00002 -0.00023 0.00005 123 2S -0.00008 0.00035 -0.00012 0.00039 -0.00009 124 2PX -0.00133 -0.00044 0.00015 0.00156 -0.00041 125 2PY 0.00075 0.00031 0.00039 0.00014 0.00071 126 2PZ -0.00048 -0.00004 0.00053 0.00103 -0.00021 127 3S -0.00002 -0.00020 -0.00068 0.00133 -0.00091 128 3PX -0.00068 0.00017 0.00054 0.00122 -0.00033 129 3PY 0.00047 -0.00081 0.00060 -0.00003 0.00057 130 3PZ -0.00066 -0.00019 -0.00011 0.00086 -0.00004 131 4XX 0.00003 -0.00002 0.00007 -0.00001 -0.00002 132 4YY -0.00001 -0.00004 -0.00001 0.00003 0.00003 133 4ZZ 0.00001 0.00003 -0.00004 -0.00007 0.00001 134 4XY -0.00013 -0.00023 0.00004 0.00002 -0.00005 135 4XZ 0.00005 0.00006 0.00000 0.00002 0.00000 136 4YZ -0.00013 -0.00018 -0.00001 0.00001 -0.00007 137 17 C 1S 0.00000 0.00011 0.00001 -0.00012 0.00000 138 2S -0.00023 -0.00036 0.00000 0.00023 -0.00009 139 2PX -0.00021 -0.00065 0.00000 0.00023 -0.00020 140 2PY -0.00013 -0.00087 0.00032 0.00014 0.00001 141 2PZ 0.00010 0.00016 -0.00004 -0.00011 -0.00009 142 3S -0.00024 -0.00076 -0.00002 0.00033 -0.00014 143 3PX 0.00020 -0.00032 -0.00003 -0.00014 -0.00003 144 3PY -0.00032 -0.00110 0.00037 0.00001 0.00000 145 3PZ 0.00019 0.00051 0.00001 -0.00010 0.00010 146 4XX 0.00009 0.00017 0.00000 -0.00003 0.00004 147 4YY -0.00006 -0.00011 0.00001 0.00003 0.00000 148 4ZZ 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 149 4XY 0.00004 0.00009 -0.00002 0.00003 0.00001 150 4XZ 0.00001 0.00008 0.00001 -0.00001 0.00004 151 4YZ 0.00003 0.00009 0.00000 0.00001 0.00003 152 18 O 1S -0.00008 -0.00048 0.00014 0.00004 -0.00009 153 2S 0.00029 0.00113 -0.00024 0.00002 0.00023 154 2PX 0.00161 0.00363 -0.00018 -0.00019 0.00050 155 2PY -0.00047 -0.00057 0.00002 -0.00045 0.00027 156 2PZ 0.00108 0.00235 0.00008 -0.00013 0.00117 157 3S 0.00022 0.00269 -0.00112 -0.00008 0.00005 158 3PX 0.00123 0.00273 -0.00027 -0.00015 0.00031 159 3PY -0.00027 -0.00060 0.00008 -0.00037 0.00016 160 3PZ 0.00116 0.00196 0.00018 -0.00011 0.00101 161 4XX -0.00008 -0.00019 0.00006 0.00002 0.00002 162 4YY 0.00004 0.00003 0.00001 0.00002 0.00002 163 4ZZ 0.00002 -0.00001 0.00001 -0.00003 0.00001 164 4XY -0.00006 -0.00016 0.00001 0.00001 -0.00002 165 4XZ -0.00002 -0.00010 0.00001 -0.00002 -0.00002 166 4YZ 0.00001 -0.00003 -0.00002 0.00000 -0.00003 167 19 H 1S 0.00008 0.00030 0.00049 0.00093 0.00025 168 2S 0.00051 0.00254 -0.00004 0.00077 -0.00041 169 20 H 1S -0.00054 -0.00040 -0.00033 -0.00018 -0.00017 170 2S -0.00065 -0.00129 0.00003 -0.00048 0.00043 171 21 H 1S -0.00005 -0.00019 -0.00003 0.00000 -0.00018 172 2S -0.00008 -0.00058 -0.00004 -0.00012 -0.00031 173 22 O 1S 0.00003 0.00011 -0.00017 0.00006 -0.00003 174 2S -0.00012 -0.00034 0.00034 -0.00013 -0.00002 175 2PX 0.00047 0.00047 0.00025 -0.00064 0.00013 176 2PY -0.00019 -0.00049 0.00005 -0.00020 -0.00009 177 2PZ 0.00025 0.00073 -0.00016 -0.00038 0.00034 178 3S -0.00016 -0.00058 0.00126 -0.00016 0.00041 179 3PX 0.00051 0.00048 0.00023 -0.00058 0.00025 180 3PY -0.00027 -0.00030 0.00013 -0.00013 -0.00005 181 3PZ 0.00025 0.00052 -0.00030 -0.00046 0.00017 182 4XX -0.00003 0.00005 -0.00004 0.00004 -0.00003 183 4YY -0.00003 -0.00003 -0.00002 0.00001 -0.00003 184 4ZZ 0.00000 -0.00004 -0.00003 -0.00002 -0.00004 185 4XY 0.00004 0.00004 0.00002 -0.00002 0.00001 186 4XZ 0.00001 0.00001 -0.00001 0.00001 0.00001 187 4YZ -0.00003 -0.00001 -0.00001 0.00001 -0.00001 188 23 H 1S 0.00030 0.00070 0.00000 -0.00015 0.00026 189 2S 0.00080 0.00139 -0.00004 -0.00051 0.00047 61 62 63 64 65 61 5 C 1S 2.05093 62 2S -0.05356 0.30675 63 2PX -0.00216 0.00247 0.39946 64 2PY 0.00197 -0.00049 -0.00273 0.38112 65 2PZ 0.00106 -0.00015 0.00826 0.00399 0.40015 66 3S -0.18821 0.28344 -0.02740 0.00449 0.02951 67 3PX 0.00084 0.00408 0.18488 -0.00135 -0.00023 68 3PY -0.00045 -0.00297 -0.00883 0.17478 0.00087 69 3PZ 0.00065 -0.00479 -0.00273 0.00166 0.17903 70 4XX -0.01716 -0.00165 0.01424 -0.00838 0.01104 71 4YY -0.01550 -0.00526 -0.00118 0.01525 0.00027 72 4ZZ -0.01720 -0.00155 -0.00940 -0.01006 -0.01441 73 4XY 0.00095 -0.00184 -0.01373 0.00047 -0.00100 74 4XZ -0.00087 0.00221 0.01149 -0.00052 -0.00892 75 4YZ -0.00108 0.00202 -0.00121 -0.00054 -0.01458 76 6 C 1S 0.01244 -0.02396 0.04791 0.02374 -0.04592 77 2S -0.02357 0.03949 -0.10350 -0.04947 0.09405 78 2PX -0.03607 0.07421 -0.10584 -0.08843 0.13906 79 2PY -0.02997 0.05500 -0.09323 -0.03184 0.08288 80 2PZ 0.04416 -0.09016 0.15610 0.07089 -0.13091 81 3S 0.00108 0.01380 -0.06881 -0.03174 0.09339 82 3PX -0.00169 0.01260 -0.04390 -0.03957 0.03897 83 3PY -0.00483 0.01501 -0.00852 -0.01131 0.01734 84 3PZ 0.00524 -0.01805 0.05917 0.02975 -0.04186 85 4XX -0.00217 0.00325 0.00835 -0.00373 0.00582 86 4YY 0.00156 -0.00345 0.00282 0.00944 -0.00290 87 4ZZ -0.00143 0.00169 -0.00375 -0.00316 -0.00993 88 4XY -0.00238 0.00462 -0.00337 0.00344 0.00553 89 4XZ 0.00437 -0.00809 0.00315 0.00565 -0.00345 90 4YZ 0.00280 -0.00538 0.00632 -0.00256 -0.00441 91 7 H 1S -0.00724 0.01592 -0.02367 -0.01141 0.02600 92 2S -0.00969 0.02215 -0.04597 -0.01667 0.05316 93 8 H 1S -0.00076 0.00122 -0.00236 0.00106 0.00145 94 2S -0.00031 0.00002 0.00181 0.00123 -0.00429 95 9 H 1S -0.00735 0.01455 -0.00327 0.03619 0.00279 96 2S -0.00920 0.01851 -0.01493 0.05935 0.01378 97 10 H 1S 0.00750 -0.01927 0.00769 -0.02962 0.02138 98 2S 0.00827 -0.01896 0.02008 -0.05419 0.03579 99 11 H 1S -0.05232 0.10153 -0.05694 -0.09049 -0.24608 100 2S -0.00563 0.02059 -0.05724 -0.07750 -0.22660 101 12 H 1S 0.01192 -0.02350 0.02591 0.03151 -0.02255 102 2S 0.01495 -0.02651 0.05281 0.05872 -0.04426 103 13 H 1S -0.05287 0.10266 0.24468 -0.08045 0.06958 104 2S -0.00681 0.02188 0.21795 -0.06585 0.06416 105 14 H 1S 0.00849 -0.02092 -0.02233 -0.02680 -0.00813 106 2S 0.01082 -0.02314 -0.03249 -0.05106 -0.01877 107 15 C 1S -0.00111 0.00217 -0.00249 0.00146 0.00247 108 2S 0.00181 -0.00414 0.00431 -0.00201 -0.00326 109 2PX 0.00868 -0.01776 0.02088 -0.00592 -0.01050 110 2PY 0.00054 -0.00136 -0.00079 0.00078 0.00034 111 2PZ 0.00636 -0.01399 0.01474 -0.00442 -0.01052 112 3S 0.00590 -0.00783 0.01471 -0.00701 -0.01729 113 3PX 0.00658 -0.01730 0.01932 -0.00217 -0.01182 114 3PY 0.00087 -0.00302 -0.00355 0.00163 -0.00359 115 3PZ 0.00574 -0.00704 0.00955 -0.00872 -0.00538 116 4XX -0.00012 0.00019 -0.00068 0.00028 -0.00014 117 4YY 0.00005 0.00008 0.00046 0.00026 0.00027 118 4ZZ -0.00043 0.00076 -0.00081 0.00015 0.00080 119 4XY -0.00017 0.00072 -0.00117 -0.00033 -0.00008 120 4XZ 0.00013 -0.00013 0.00000 -0.00030 0.00001 121 4YZ -0.00020 0.00039 -0.00086 0.00029 0.00017 122 16 C 1S -0.00252 0.00388 -0.00833 -0.00134 -0.00374 123 2S 0.00480 -0.00790 0.01838 0.00288 0.00642 124 2PX 0.00742 -0.02077 0.02874 0.00193 0.00451 125 2PY -0.00329 0.00691 -0.01257 -0.00484 -0.00858 126 2PZ 0.00118 -0.00214 0.00753 -0.00437 -0.00897 127 3S 0.00752 -0.01862 0.03651 0.00837 0.02678 128 3PX 0.00620 -0.00786 0.01115 -0.00189 0.00121 129 3PY -0.00413 0.00703 -0.02235 -0.00381 -0.01032 130 3PZ 0.00045 -0.00999 0.01893 -0.00287 -0.00721 131 4XX -0.00102 0.00157 -0.00369 -0.00007 -0.00053 132 4YY 0.00005 -0.00062 0.00094 0.00025 -0.00026 133 4ZZ -0.00016 -0.00010 0.00063 0.00044 0.00031 134 4XY 0.00019 -0.00037 0.00065 -0.00021 -0.00053 135 4XZ 0.00002 -0.00007 -0.00012 0.00013 0.00085 136 4YZ 0.00076 -0.00131 0.00182 -0.00009 0.00048 137 17 C 1S -0.00054 0.00085 -0.00145 -0.00079 0.00008 138 2S 0.00146 -0.00316 0.00494 0.00162 -0.00042 139 2PX 0.00150 -0.00258 0.00379 0.00213 0.00052 140 2PY -0.00098 0.00132 -0.00600 -0.00249 -0.00262 141 2PZ -0.00051 0.00143 -0.00241 -0.00040 -0.00198 142 3S 0.00214 -0.00368 0.00726 0.00447 -0.00090 143 3PX -0.00085 0.00243 -0.00253 0.00088 0.00503 144 3PY -0.00014 0.00061 -0.00592 -0.00186 -0.00317 145 3PZ -0.00081 0.00134 -0.00149 -0.00003 0.00104 146 4XX -0.00030 0.00069 -0.00092 0.00011 0.00026 147 4YY 0.00022 -0.00059 0.00082 -0.00006 -0.00003 148 4ZZ -0.00011 0.00020 -0.00015 -0.00007 -0.00029 149 4XY -0.00013 -0.00007 0.00021 0.00007 0.00022 150 4XZ -0.00006 0.00001 -0.00004 -0.00004 0.00048 151 4YZ -0.00009 0.00026 0.00002 0.00008 -0.00009 152 18 O 1S 0.00015 0.00042 -0.00037 -0.00041 -0.00059 153 2S -0.00020 -0.00070 0.00066 0.00025 0.00108 154 2PX -0.00393 0.00729 -0.00858 0.00459 0.00520 155 2PY 0.00083 0.00074 0.00008 -0.00242 -0.00214 156 2PZ -0.00361 0.00759 -0.00808 0.00167 0.00525 157 3S -0.00062 -0.00499 0.00697 0.00506 0.00339 158 3PX -0.00366 0.00588 -0.00780 0.00547 0.00518 159 3PY 0.00033 0.00159 -0.00074 -0.00191 -0.00124 160 3PZ -0.00369 0.00831 -0.00906 0.00125 0.00448 161 4XX 0.00027 -0.00037 0.00026 -0.00051 -0.00048 162 4YY 0.00008 0.00010 -0.00004 -0.00005 -0.00014 163 4ZZ -0.00004 0.00041 -0.00041 -0.00037 0.00005 164 4XY 0.00015 -0.00024 0.00029 -0.00001 -0.00011 165 4XZ 0.00001 0.00003 0.00002 -0.00013 0.00009 166 4YZ 0.00000 -0.00006 -0.00011 0.00004 -0.00009 167 19 H 1S -0.00055 0.00176 -0.00018 -0.00124 0.00333 168 2S -0.00210 0.00548 -0.00031 -0.00297 0.01128 169 20 H 1S 0.00421 -0.00921 0.01301 0.00258 0.00493 170 2S 0.00015 -0.00447 -0.00105 -0.00322 -0.01333 171 21 H 1S 0.00011 0.00010 0.00004 -0.00019 -0.00255 172 2S -0.00052 0.00167 -0.00244 -0.00261 -0.00161 173 22 O 1S 0.00044 -0.00157 0.00371 0.00109 0.00111 174 2S -0.00137 0.00300 -0.00679 -0.00234 -0.00124 175 2PX -0.00296 0.01008 -0.01532 -0.00093 -0.00048 176 2PY 0.00165 0.00188 0.00018 0.00206 -0.00205 177 2PZ 0.00003 -0.00151 -0.00341 0.00210 0.00840 178 3S -0.00055 0.01055 -0.02855 -0.00687 -0.01185 179 3PX -0.00206 0.00958 -0.01531 0.00032 -0.00167 180 3PY 0.00172 0.00106 -0.00127 0.00053 -0.00238 181 3PZ -0.00059 -0.00081 -0.00061 0.00217 0.00828 182 4XX 0.00012 -0.00090 0.00191 0.00015 0.00081 183 4YY -0.00010 -0.00042 0.00058 0.00020 0.00036 184 4ZZ -0.00034 -0.00011 0.00008 -0.00015 0.00070 185 4XY -0.00009 0.00065 -0.00087 -0.00031 -0.00007 186 4XZ -0.00013 -0.00010 0.00037 0.00003 0.00006 187 4YZ 0.00005 -0.00045 0.00045 0.00006 0.00042 188 23 H 1S -0.00115 0.00218 -0.00313 0.00017 0.00208 189 2S -0.00345 0.00717 -0.01062 -0.00033 0.00672 66 67 68 69 70 66 3S 0.31662 67 3PX -0.01343 0.08895 68 3PY 0.00454 -0.00399 0.08740 69 3PZ 0.01442 -0.00470 0.00053 0.08364 70 4XX 0.00061 0.00655 -0.00339 0.00441 0.00161 71 4YY -0.00513 -0.00060 0.00599 0.00025 -0.00038 72 4ZZ -0.00144 -0.00411 -0.00421 -0.00604 -0.00066 73 4XY -0.00145 -0.00647 0.00089 -0.00022 -0.00053 74 4XZ 0.00055 0.00513 -0.00077 -0.00402 0.00012 75 4YZ 0.00172 -0.00046 -0.00034 -0.00672 -0.00036 76 6 C 1S 0.00574 0.00940 0.00508 -0.00844 -0.00124 77 2S 0.02216 -0.03227 -0.00884 0.03021 0.00156 78 2PX 0.05717 -0.05671 -0.04981 0.07259 -0.00791 79 2PY 0.11777 -0.04712 0.00332 0.04274 0.00281 80 2PZ -0.11982 0.07741 0.03349 -0.05936 -0.00508 81 3S -0.00961 -0.01393 -0.00117 0.02437 0.00363 82 3PX -0.01345 -0.02375 -0.02541 0.02246 -0.00668 83 3PY 0.02718 -0.00356 -0.00174 0.00470 0.00209 84 3PZ -0.03145 0.02816 0.00868 -0.01694 -0.00403 85 4XX 0.00542 0.00302 -0.00205 0.00314 0.00072 86 4YY -0.00724 0.00228 0.00365 -0.00214 -0.00025 87 4ZZ 0.00263 -0.00258 -0.00115 -0.00367 -0.00050 88 4XY 0.00421 -0.00160 0.00156 0.00259 -0.00023 89 4XZ -0.01029 0.00109 0.00311 -0.00117 -0.00024 90 4YZ -0.00641 0.00361 -0.00078 -0.00221 0.00007 91 7 H 1S 0.04112 -0.02444 -0.01410 0.01727 0.00073 92 2S 0.05160 -0.03546 -0.01672 0.03122 0.00122 93 8 H 1S 0.00393 -0.00100 0.00013 -0.00072 -0.00012 94 2S 0.00086 0.00222 -0.00083 -0.00434 -0.00076 95 9 H 1S 0.04866 0.00061 0.03681 0.00265 -0.00016 96 2S 0.05329 -0.00391 0.04916 0.00732 0.00001 97 10 H 1S -0.02028 0.00205 -0.01691 0.01670 0.00168 98 2S -0.01038 0.00787 -0.02234 0.02287 0.00396 99 11 H 1S 0.07881 -0.02309 -0.04113 -0.11025 -0.00783 100 2S -0.00345 -0.02447 -0.03436 -0.09887 -0.00873 101 12 H 1S -0.07034 0.02244 0.00897 -0.01991 -0.00107 102 2S -0.07135 0.03189 0.01736 -0.02752 -0.00228 103 13 H 1S 0.08698 0.11388 -0.04154 0.02497 0.01312 104 2S 0.00976 0.09997 -0.03169 0.02284 0.01314 105 14 H 1S -0.03330 -0.01771 -0.01206 -0.00087 -0.00159 106 2S -0.03856 -0.02211 -0.01847 -0.00801 -0.00110 107 15 C 1S 0.00506 -0.00016 0.00059 0.00228 -0.00015 108 2S -0.00646 -0.00019 0.00054 -0.00320 0.00025 109 2PX -0.06641 0.00534 0.00025 -0.01257 0.00239 110 2PY -0.01066 -0.00063 0.00522 0.00323 0.00105 111 2PZ -0.04809 -0.00110 0.00526 -0.01130 0.00074 112 3S -0.02352 0.00234 -0.00615 -0.01200 0.00063 113 3PX -0.04975 0.00345 0.00336 -0.01094 0.00100 114 3PY -0.01821 -0.00167 0.00513 -0.00281 -0.00021 115 3PZ -0.03326 0.00066 -0.00081 -0.00581 0.00097 116 4XX -0.00132 -0.00064 0.00024 -0.00021 -0.00006 117 4YY -0.00051 0.00060 0.00012 -0.00002 0.00007 118 4ZZ 0.00260 -0.00021 -0.00006 0.00076 -0.00007 119 4XY 0.00093 -0.00002 -0.00104 -0.00008 -0.00035 120 4XZ -0.00191 0.00029 -0.00101 -0.00046 -0.00009 121 4YZ 0.00113 -0.00053 -0.00020 0.00033 -0.00034 122 16 C 1S 0.01272 -0.00698 -0.00303 -0.00322 -0.00136 123 2S -0.02730 0.01247 0.00508 0.00394 0.00219 124 2PX -0.02702 0.00066 0.01965 0.00521 0.00744 125 2PY 0.02355 -0.00632 -0.00941 -0.00968 -0.00215 126 2PZ -0.01481 0.00749 0.00327 -0.01192 0.00482 127 3S -0.03284 0.01725 0.01615 0.01052 0.00463 128 3PX -0.01695 -0.00040 0.01069 0.00266 0.00474 129 3PY 0.01115 -0.00820 -0.00503 -0.00539 -0.00286 130 3PZ -0.01682 0.00773 0.00600 -0.00719 0.00364 131 4XX 0.00053 -0.00120 0.00009 -0.00164 0.00008 132 4YY 0.00010 -0.00021 0.00016 -0.00010 -0.00005 133 4ZZ 0.00097 0.00054 -0.00021 0.00151 -0.00012 134 4XY -0.00252 0.00016 -0.00030 -0.00096 -0.00002 135 4XZ 0.00241 -0.00067 0.00049 -0.00008 0.00026 136 4YZ -0.00406 0.00018 0.00080 0.00020 0.00012 137 17 C 1S 0.00408 -0.00122 -0.00091 0.00031 -0.00031 138 2S -0.01164 0.00217 0.00357 -0.00058 0.00073 139 2PX -0.01698 0.00153 0.00551 -0.00192 0.00097 140 2PY 0.00750 -0.00583 -0.00294 -0.00001 -0.00137 141 2PZ 0.00015 -0.00061 -0.00067 -0.00484 -0.00043 142 3S -0.01289 0.00265 0.00542 -0.00071 0.00106 143 3PX 0.00460 -0.00042 -0.00044 0.00325 0.00011 144 3PY -0.00562 -0.00172 -0.00377 -0.00148 -0.00128 145 3PZ 0.00581 0.00012 -0.00114 0.00192 -0.00064 146 4XX 0.00219 0.00008 -0.00032 0.00111 -0.00020 147 4YY -0.00107 -0.00010 0.00016 -0.00035 0.00015 148 4ZZ -0.00025 0.00010 -0.00011 -0.00077 -0.00003 149 4XY 0.00194 -0.00061 0.00048 -0.00010 0.00004 150 4XZ 0.00198 -0.00010 -0.00035 0.00125 -0.00006 151 4YZ -0.00025 0.00042 0.00011 -0.00107 0.00010 152 18 O 1S -0.00489 0.00124 -0.00169 -0.00039 -0.00012 153 2S 0.01225 -0.00373 0.00436 0.00091 0.00034 154 2PX 0.03592 -0.00296 0.00522 0.00688 -0.00105 155 2PY -0.01185 0.00708 -0.00815 -0.00425 -0.00003 156 2PZ 0.03076 0.00084 -0.00402 0.00184 -0.00118 157 3S 0.01358 -0.00143 0.00752 0.00147 0.00070 158 3PX 0.02875 -0.00213 0.00357 0.00617 -0.00108 159 3PY -0.00689 0.00481 -0.00664 -0.00280 -0.00013 160 3PZ 0.03050 -0.00031 -0.00307 0.00230 -0.00099 161 4XX -0.00159 -0.00004 -0.00025 -0.00035 0.00000 162 4YY 0.00021 -0.00025 0.00046 0.00005 0.00003 163 4ZZ 0.00074 0.00005 -0.00043 0.00006 0.00003 164 4XY -0.00152 0.00010 -0.00002 -0.00013 0.00007 165 4XZ -0.00053 0.00008 -0.00030 0.00008 -0.00001 166 4YZ -0.00006 -0.00024 0.00008 0.00010 -0.00005 167 19 H 1S 0.00836 0.00246 -0.00016 0.00378 0.00117 168 2S 0.02174 0.00374 -0.00075 0.00922 0.00199 169 20 H 1S -0.02191 0.00374 0.00556 0.01038 -0.00003 170 2S -0.01600 -0.00226 -0.00098 0.00217 -0.00259 171 21 H 1S -0.00595 0.00052 0.00054 -0.00588 0.00010 172 2S -0.00473 -0.00072 -0.00161 -0.00809 0.00038 173 22 O 1S -0.00155 0.00042 0.00367 -0.00071 0.00051 174 2S -0.00300 0.00192 -0.00816 0.00097 -0.00101 175 2PX 0.01345 0.00446 -0.01166 0.01573 -0.00387 176 2PY -0.03549 0.01304 0.00112 -0.00290 0.00036 177 2PZ 0.03278 -0.00616 -0.00409 0.03342 -0.00241 178 3S 0.01109 -0.01173 -0.01352 -0.00007 -0.00312 179 3PX 0.01576 -0.00005 -0.00814 0.01214 -0.00320 180 3PY -0.02545 0.00761 0.00040 -0.00170 0.00004 181 3PZ 0.02362 -0.00191 -0.00476 0.02472 -0.00227 182 4XX -0.00072 0.00083 0.00053 0.00058 0.00032 183 4YY -0.00274 0.00091 0.00032 -0.00001 0.00003 184 4ZZ -0.00033 0.00005 -0.00009 -0.00031 -0.00004 185 4XY 0.00088 0.00015 -0.00069 0.00047 -0.00017 186 4XZ 0.00093 -0.00011 0.00013 -0.00010 0.00010 187 4YZ 0.00078 -0.00027 0.00010 0.00133 0.00000 188 23 H 1S 0.01396 -0.00034 -0.00268 0.00684 -0.00083 189 2S 0.03206 -0.00214 -0.00669 0.01308 -0.00196 71 72 73 74 75 71 4YY 0.00123 72 4ZZ -0.00029 0.00156 73 4XY 0.00020 0.00031 0.00089 74 4XZ -0.00003 -0.00001 -0.00040 0.00065 75 4YZ -0.00016 0.00052 -0.00001 0.00032 0.00095 76 6 C 1S 0.00066 -0.00153 -0.00307 0.00456 0.00296 77 2S -0.00218 0.00225 0.00570 -0.00898 -0.00534 78 2PX -0.00160 0.00636 0.00321 -0.00380 -0.00633 79 2PY -0.00988 0.00273 -0.00243 -0.00623 0.00254 80 2PZ 0.00164 0.00848 -0.00650 0.00419 0.00393 81 3S -0.00155 -0.00028 0.00384 -0.00794 -0.00518 82 3PX 0.00045 0.00567 0.00178 -0.00103 -0.00284 83 3PY -0.00350 0.00006 -0.00226 -0.00120 0.00179 84 3PZ 0.00122 0.00431 -0.00329 0.00202 0.00106 85 4XX -0.00030 -0.00057 -0.00043 0.00031 -0.00007 86 4YY 0.00084 -0.00041 0.00024 0.00014 -0.00018 87 4ZZ -0.00035 0.00080 -0.00003 0.00018 0.00051 88 4XY 0.00017 -0.00011 0.00014 -0.00017 -0.00025 89 4XZ 0.00032 0.00005 -0.00001 0.00018 -0.00001 90 4YZ -0.00012 0.00032 -0.00019 0.00010 0.00011 91 7 H 1S 0.00006 -0.00217 0.00056 0.00043 -0.00069 92 2S -0.00009 -0.00316 0.00134 -0.00063 -0.00166 93 8 H 1S -0.00007 0.00081 -0.00086 -0.00019 0.00072 94 2S -0.00031 0.00187 -0.00188 -0.00024 0.00174 95 9 H 1S -0.00012 -0.00079 0.00162 -0.00031 -0.00123 96 2S 0.00025 -0.00199 0.00254 -0.00110 -0.00178 97 10 H 1S 0.00190 -0.00097 -0.00208 -0.00076 -0.00760 98 2S -0.00145 -0.00102 -0.00260 -0.00070 -0.00746 99 11 H 1S -0.00511 0.01314 0.00169 0.00470 0.01047 100 2S -0.00337 0.01364 0.00232 0.00363 0.00946 101 12 H 1S 0.00654 -0.00226 0.00353 0.00070 -0.00328 102 2S 0.00714 -0.00258 0.00143 0.00284 -0.00149 103 13 H 1S -0.00579 -0.00705 -0.00990 0.00626 -0.00220 104 2S -0.00444 -0.00741 -0.00888 0.00504 -0.00252 105 14 H 1S 0.00270 0.00160 0.00756 -0.00078 0.00233 106 2S -0.00043 0.00324 0.00705 -0.00067 0.00265 107 15 C 1S 0.00001 -0.00016 0.00002 -0.00023 -0.00005 108 2S -0.00008 0.00035 0.00012 0.00039 0.00010 109 2PX -0.00133 -0.00044 -0.00015 0.00156 0.00041 110 2PY -0.00075 -0.00031 0.00039 -0.00014 0.00071 111 2PZ -0.00048 -0.00004 -0.00053 0.00103 0.00021 112 3S -0.00002 -0.00020 0.00068 0.00133 0.00091 113 3PX -0.00067 0.00017 -0.00054 0.00122 0.00033 114 3PY -0.00047 0.00081 0.00060 0.00003 0.00057 115 3PZ -0.00066 -0.00019 0.00011 0.00086 0.00004 116 4XX 0.00003 -0.00002 -0.00007 -0.00001 0.00002 117 4YY -0.00001 -0.00003 0.00001 0.00003 -0.00003 118 4ZZ 0.00001 0.00003 0.00004 -0.00007 -0.00001 119 4XY 0.00013 0.00023 0.00004 -0.00002 -0.00005 120 4XZ 0.00005 0.00006 0.00000 0.00002 0.00000 121 4YZ 0.00013 0.00018 -0.00001 -0.00002 -0.00007 122 16 C 1S 0.00003 0.00050 0.00038 -0.00042 0.00008 123 2S -0.00022 -0.00107 -0.00071 0.00107 -0.00035 124 2PX -0.00284 -0.00457 -0.00066 0.00081 0.00036 125 2PY 0.00071 0.00135 0.00040 -0.00036 -0.00022 126 2PZ -0.00169 -0.00251 -0.00003 -0.00008 0.00084 127 3S -0.00125 -0.00270 -0.00136 0.00062 -0.00098 128 3PX -0.00209 -0.00276 -0.00007 0.00061 0.00028 129 3PY 0.00033 0.00257 0.00068 -0.00055 0.00030 130 3PZ -0.00131 -0.00178 -0.00051 0.00031 0.00063 131 4XX -0.00006 -0.00011 0.00012 -0.00013 0.00010 132 4YY 0.00005 0.00000 -0.00001 0.00004 -0.00003 133 4ZZ 0.00008 0.00012 -0.00004 0.00001 -0.00002 134 4XY -0.00005 0.00006 -0.00003 0.00005 0.00003 135 4XZ -0.00009 -0.00026 0.00001 -0.00010 0.00002 136 4YZ -0.00007 -0.00005 -0.00007 0.00011 -0.00001 137 17 C 1S 0.00000 0.00011 -0.00001 -0.00012 0.00000 138 2S -0.00023 -0.00036 0.00000 0.00023 0.00009 139 2PX -0.00021 -0.00065 0.00000 0.00023 0.00020 140 2PY 0.00013 0.00087 0.00032 -0.00014 0.00001 141 2PZ 0.00010 0.00016 0.00004 -0.00011 0.00009 142 3S -0.00024 -0.00076 0.00002 0.00033 0.00014 143 3PX 0.00020 -0.00032 0.00003 -0.00014 0.00003 144 3PY 0.00032 0.00110 0.00037 -0.00001 0.00000 145 3PZ 0.00019 0.00051 -0.00001 -0.00010 -0.00010 146 4XX 0.00009 0.00017 0.00000 -0.00003 -0.00004 147 4YY -0.00006 -0.00011 -0.00001 0.00003 0.00000 148 4ZZ 0.00001 -0.00001 0.00001 -0.00002 0.00002 149 4XY -0.00004 -0.00009 -0.00002 -0.00003 0.00001 150 4XZ 0.00001 0.00008 -0.00001 -0.00001 -0.00004 151 4YZ -0.00003 -0.00009 0.00000 -0.00001 0.00003 152 18 O 1S 0.00003 0.00011 0.00017 0.00006 0.00003 153 2S -0.00012 -0.00034 -0.00034 -0.00013 0.00002 154 2PX 0.00047 0.00047 -0.00025 -0.00064 -0.00013 155 2PY 0.00019 0.00049 0.00005 0.00020 -0.00009 156 2PZ 0.00025 0.00073 0.00016 -0.00038 -0.00034 157 3S -0.00016 -0.00058 -0.00126 -0.00016 -0.00041 158 3PX 0.00051 0.00048 -0.00023 -0.00058 -0.00025 159 3PY 0.00027 0.00030 0.00013 0.00013 -0.00005 160 3PZ 0.00025 0.00052 0.00030 -0.00046 -0.00017 161 4XX -0.00003 0.00005 0.00004 0.00004 0.00003 162 4YY -0.00003 -0.00003 0.00002 0.00001 0.00003 163 4ZZ 0.00000 -0.00004 0.00003 -0.00002 0.00004 164 4XY -0.00004 -0.00004 0.00002 0.00002 0.00001 165 4XZ 0.00001 0.00001 0.00001 0.00001 -0.00001 166 4YZ 0.00003 0.00001 -0.00001 -0.00001 -0.00001 167 19 H 1S -0.00054 -0.00040 0.00033 -0.00018 0.00017 168 2S -0.00065 -0.00129 -0.00003 -0.00048 -0.00043 169 20 H 1S 0.00008 0.00030 -0.00049 0.00093 -0.00025 170 2S 0.00051 0.00254 0.00004 0.00077 0.00041 171 21 H 1S -0.00005 -0.00019 0.00003 0.00000 0.00018 172 2S -0.00008 -0.00058 0.00004 -0.00012 0.00031 173 22 O 1S -0.00008 -0.00048 -0.00014 0.00004 0.00009 174 2S 0.00029 0.00113 0.00024 0.00001 -0.00023 175 2PX 0.00161 0.00363 0.00018 -0.00019 -0.00050 176 2PY 0.00047 0.00057 0.00002 0.00045 0.00027 177 2PZ 0.00108 0.00235 -0.00008 -0.00013 -0.00117 178 3S 0.00022 0.00269 0.00112 -0.00009 -0.00005 179 3PX 0.00123 0.00273 0.00027 -0.00016 -0.00031 180 3PY 0.00027 0.00060 0.00008 0.00037 0.00016 181 3PZ 0.00116 0.00196 -0.00018 -0.00011 -0.00101 182 4XX -0.00008 -0.00019 -0.00006 0.00002 -0.00002 183 4YY 0.00004 0.00003 -0.00001 0.00002 -0.00002 184 4ZZ 0.00002 -0.00001 -0.00001 -0.00003 -0.00001 185 4XY 0.00006 0.00016 0.00001 -0.00001 -0.00002 186 4XZ -0.00002 -0.00010 -0.00001 -0.00002 0.00002 187 4YZ -0.00001 0.00003 -0.00002 0.00000 -0.00003 188 23 H 1S 0.00030 0.00070 0.00000 -0.00015 -0.00026 189 2S 0.00080 0.00139 0.00004 -0.00051 -0.00047 76 77 78 79 80 76 6 C 1S 2.05493 77 2S -0.06108 0.32600 78 2PX 0.00137 0.00135 0.34895 79 2PY 0.00186 0.00372 0.01260 0.41139 80 2PZ -0.00409 0.00570 -0.03323 0.01966 0.39185 81 3S -0.19677 0.28869 -0.04143 -0.00160 0.00461 82 3PX 0.00513 -0.00814 0.20156 -0.02642 0.03981 83 3PY -0.00719 -0.00824 -0.02145 0.13271 0.01204 84 3PZ 0.00797 -0.01693 0.04362 -0.00316 0.16555 85 4XX -0.01165 -0.01268 -0.00007 0.00550 -0.00825 86 4YY -0.01845 0.00165 -0.00442 -0.02175 -0.00237 87 4ZZ -0.01376 -0.00746 0.00382 0.00996 0.00779 88 4XY -0.00144 0.00305 0.00713 -0.00233 -0.00297 89 4XZ 0.00268 -0.00572 0.00067 -0.00585 0.00628 90 4YZ -0.00106 0.00231 -0.00357 0.00096 0.01163 91 7 H 1S 0.01303 -0.02811 0.00994 -0.00382 -0.04387 92 2S 0.01856 -0.03297 0.02491 0.00036 -0.09601 93 8 H 1S -0.00745 0.01733 0.00073 0.01537 0.03355 94 2S -0.01207 0.02472 0.00396 0.03066 0.06994 95 9 H 1S -0.00248 0.00754 -0.00732 0.00905 -0.00837 96 2S -0.00361 0.01354 -0.02064 0.02463 -0.02720 97 10 H 1S -0.00412 0.01081 0.00464 0.01089 -0.01587 98 2S -0.00540 0.01200 0.00029 0.02097 -0.02861 99 11 H 1S 0.00836 -0.01923 -0.00782 -0.00215 0.03480 100 2S 0.01324 -0.02578 0.00585 -0.01064 0.08285 101 12 H 1S -0.05974 0.11313 -0.03570 -0.26354 -0.01520 102 2S -0.01318 0.02654 -0.02585 -0.24291 0.00123 103 13 H 1S 0.00784 -0.02317 -0.02370 -0.00466 0.01466 104 2S 0.01198 -0.02844 -0.06286 -0.00793 0.01756 105 14 H 1S -0.00199 0.00840 0.02438 0.00437 -0.00382 106 2S -0.00265 0.00791 0.03233 0.01230 -0.00477 107 15 C 1S -0.00087 0.00340 -0.00345 0.00462 -0.00223 108 2S 0.00284 -0.00361 0.00871 -0.00685 0.00600 109 2PX 0.00614 -0.01795 0.00239 -0.00664 0.00500 110 2PY -0.00131 0.00281 -0.01763 0.01472 -0.00876 111 2PZ 0.00598 -0.01530 0.01206 -0.00694 0.00834 112 3S -0.00273 -0.01789 0.00114 -0.04083 -0.00819 113 3PX 0.00469 -0.01285 0.00853 -0.00807 0.02081 114 3PY 0.00257 0.00144 0.01041 0.01209 0.01393 115 3PZ 0.00230 -0.01589 0.00856 -0.00736 -0.00722 116 4XX -0.00010 0.00008 0.00067 0.00035 0.00020 117 4YY 0.00014 -0.00011 -0.00040 -0.00008 -0.00049 118 4ZZ -0.00016 0.00093 0.00007 0.00083 -0.00005 119 4XY 0.00029 -0.00009 0.00546 -0.00217 0.00308 120 4XZ 0.00012 -0.00031 0.00234 -0.00092 0.00171 121 4YZ 0.00043 -0.00030 0.00522 -0.00158 0.00311 122 16 C 1S -0.00178 0.00203 0.01015 -0.00432 0.00361 123 2S 0.00088 -0.01175 -0.01512 0.00318 -0.00713 124 2PX -0.00337 0.00217 -0.09616 0.03274 -0.05344 125 2PY -0.00036 0.00341 0.02837 -0.01781 0.01151 126 2PZ -0.00708 0.00896 -0.08499 0.02217 -0.05581 127 3S 0.01627 -0.00059 -0.03824 0.03809 0.00095 128 3PX 0.00364 -0.00783 -0.05823 0.02308 -0.04996 129 3PY 0.00002 0.00570 0.03774 0.00624 0.02707 130 3PZ 0.00155 0.00701 -0.05985 0.01613 -0.01995 131 4XX -0.00145 0.00260 -0.00450 0.00217 -0.00488 132 4YY -0.00025 -0.00060 0.00146 -0.00225 0.00099 133 4ZZ -0.00002 -0.00077 0.00198 -0.00006 0.00252 134 4XY 0.00060 -0.00158 0.00189 0.00082 0.00154 135 4XZ -0.00108 0.00262 -0.00601 0.00200 -0.00294 136 4YZ 0.00072 -0.00176 0.00141 0.00062 0.00120 137 17 C 1S 0.00027 0.00024 0.00298 -0.00030 0.00114 138 2S -0.00037 -0.00033 -0.00787 0.00138 -0.00187 139 2PX -0.00136 0.00248 -0.01145 0.00154 -0.00334 140 2PY 0.00231 -0.00450 0.02131 -0.00325 0.00769 141 2PZ -0.00019 0.00111 0.00274 -0.00073 0.00114 142 3S -0.00011 -0.00143 -0.01460 0.00082 -0.00542 143 3PX -0.00091 0.00222 -0.00300 0.00133 -0.00394 144 3PY 0.00177 -0.00297 0.02401 -0.00634 0.01164 145 3PZ 0.00032 -0.00114 0.01040 -0.00087 0.00566 146 4XX 0.00038 -0.00037 0.00278 -0.00051 0.00110 147 4YY -0.00008 0.00011 -0.00156 0.00022 -0.00039 148 4ZZ -0.00012 0.00031 -0.00053 0.00017 -0.00010 149 4XY -0.00018 0.00052 -0.00176 0.00062 -0.00084 150 4XZ 0.00032 -0.00043 0.00163 -0.00015 0.00077 151 4YZ -0.00046 0.00087 -0.00279 0.00053 -0.00119 152 18 O 1S 0.00002 -0.00145 0.00290 -0.00133 0.00101 153 2S -0.00038 0.00284 -0.00860 0.00304 -0.00527 154 2PX -0.00122 0.00718 -0.00222 0.00519 -0.00202 155 2PY 0.00050 -0.00170 0.00767 -0.00657 0.00397 156 2PZ -0.00102 0.00620 0.00801 -0.00389 0.00418 157 3S 0.00101 0.00704 -0.01487 0.00944 0.00561 158 3PX -0.00035 0.00720 0.00157 0.00442 0.00312 159 3PY 0.00002 -0.00141 0.00582 -0.00675 0.00124 160 3PZ -0.00184 0.00707 0.00302 -0.00182 -0.00072 161 4XX 0.00036 -0.00081 0.00128 -0.00060 0.00032 162 4YY -0.00018 -0.00013 -0.00076 -0.00003 -0.00104 163 4ZZ -0.00033 0.00024 -0.00126 0.00029 -0.00124 164 4XY -0.00006 -0.00026 -0.00034 0.00010 -0.00031 165 4XZ 0.00003 -0.00020 0.00061 -0.00015 0.00021 166 4YZ 0.00003 -0.00005 0.00071 -0.00019 0.00044 167 19 H 1S -0.00232 0.00538 -0.01953 0.00855 -0.01188 168 2S -0.00405 0.00722 -0.03566 0.01618 -0.03080 169 20 H 1S 0.00589 -0.01361 0.02038 -0.00124 0.02040 170 2S 0.00655 -0.01226 0.04792 -0.01064 0.04126 171 21 H 1S -0.00090 0.00132 -0.00532 0.00104 -0.00240 172 2S -0.00194 0.00386 -0.01249 0.00334 -0.00852 173 22 O 1S -0.00086 0.00337 -0.01007 0.00119 -0.00238 174 2S 0.00268 -0.00668 0.02195 -0.00203 0.00742 175 2PX 0.00889 -0.01757 0.06628 -0.01290 0.02473 176 2PY -0.00038 -0.00093 0.00084 -0.00424 0.00145 177 2PZ 0.00866 -0.01317 0.06210 -0.01558 0.02922 178 3S 0.00061 -0.01745 0.05589 -0.00873 0.00522 179 3PX 0.00484 -0.01409 0.05227 -0.01129 0.01699 180 3PY 0.00011 -0.00345 0.00649 -0.00475 0.00071 181 3PZ 0.00749 -0.00983 0.05299 -0.01508 0.02889 182 4XX -0.00003 0.00044 -0.00442 0.00134 -0.00168 183 4YY 0.00025 0.00059 0.00046 -0.00067 0.00094 184 4ZZ 0.00030 0.00092 0.00040 0.00036 0.00115 185 4XY 0.00038 -0.00095 0.00295 -0.00044 0.00067 186 4XZ -0.00027 0.00084 -0.00236 0.00032 -0.00077 187 4YZ 0.00036 -0.00061 0.00133 0.00013 0.00079 188 23 H 1S 0.00153 -0.00249 0.01279 -0.00197 0.00486 189 2S 0.00193 -0.00161 0.02778 -0.00338 0.00984 81 82 83 84 85 81 3S 0.29355 82 3PX -0.03134 0.13457 83 3PY 0.00442 -0.02086 0.05435 84 3PZ -0.02128 0.05105 -0.00139 0.08689 85 4XX -0.01007 -0.00215 0.00209 -0.00293 0.00127 86 4YY 0.00408 -0.00070 -0.00642 -0.00124 -0.00040 87 4ZZ -0.00795 0.00300 0.00273 0.00383 0.00022 88 4XY 0.00191 0.00336 -0.00167 0.00001 -0.00012 89 4XZ -0.00466 0.00247 -0.00207 0.00273 -0.00009 90 4YZ 0.00247 -0.00016 0.00083 0.00367 -0.00033 91 7 H 1S -0.05137 -0.00536 -0.00707 -0.01816 0.00274 92 2S -0.05570 -0.00627 -0.00968 -0.03605 0.00426 93 8 H 1S 0.03976 0.00069 0.00619 0.02891 -0.00008 94 2S 0.04600 0.00681 0.01435 0.04555 -0.00094 95 9 H 1S 0.00683 -0.00885 -0.00887 -0.00706 0.00003 96 2S 0.01579 -0.02051 -0.00300 -0.01989 0.00000 97 10 H 1S 0.01433 -0.00149 -0.00439 -0.00934 0.00148 98 2S 0.01286 -0.01141 -0.00185 -0.01853 0.00239 99 11 H 1S -0.03973 0.00861 0.00046 0.01725 -0.00315 100 2S -0.04434 0.02827 -0.00503 0.03715 -0.00458 101 12 H 1S 0.11157 -0.00248 -0.08502 -0.01080 -0.00811 102 2S 0.03260 0.00816 -0.07297 0.00334 -0.00547 103 13 H 1S -0.01004 -0.02696 0.01210 0.00690 0.00852 104 2S -0.00441 -0.04470 0.01397 -0.00204 0.00744 105 14 H 1S -0.00713 0.02216 -0.00996 -0.01260 -0.00032 106 2S -0.00382 0.02883 -0.00250 -0.01212 -0.00043 107 15 C 1S -0.00191 -0.00291 -0.00119 -0.00259 0.00024 108 2S -0.00263 0.00729 -0.00026 0.00498 -0.00030 109 2PX 0.00498 0.01485 0.01267 -0.00068 0.00127 110 2PY 0.00301 -0.01430 -0.00282 -0.01856 0.00119 111 2PZ -0.00918 0.02574 0.00905 -0.00179 0.00139 112 3S -0.00973 0.00299 -0.00289 -0.00039 0.00013 113 3PX 0.00120 0.01712 0.00775 0.00678 0.00033 114 3PY 0.00634 0.01234 0.00361 0.00139 -0.00014 115 3PZ -0.00800 0.01411 0.00454 -0.00698 0.00142 116 4XX 0.00043 0.00098 0.00086 -0.00015 -0.00003 117 4YY 0.00088 -0.00024 0.00030 -0.00009 0.00002 118 4ZZ -0.00051 -0.00054 -0.00100 -0.00011 0.00000 119 4XY 0.00001 0.00373 -0.00080 0.00275 -0.00022 120 4XZ 0.00077 0.00234 0.00078 0.00178 -0.00009 121 4YZ -0.00202 0.00404 -0.00121 0.00259 -0.00017 122 16 C 1S 0.00644 -0.00004 -0.00140 0.00539 -0.00117 123 2S -0.00116 -0.00216 0.00541 -0.00889 0.00203 124 2PX -0.00327 -0.06338 0.00959 -0.04567 0.00413 125 2PY 0.00311 0.01665 0.00035 0.02345 -0.00259 126 2PZ 0.03656 -0.06051 0.02168 -0.04286 0.00356 127 3S 0.01384 -0.01594 0.01741 -0.01387 0.00247 128 3PX -0.00397 -0.04195 0.00784 -0.03718 0.00353 129 3PY 0.00071 0.02789 -0.00033 0.02219 -0.00196 130 3PZ 0.01977 -0.03871 0.01251 -0.02313 0.00187 131 4XX 0.00639 -0.00377 0.00275 -0.00391 -0.00016 132 4YY -0.00161 0.00109 -0.00074 0.00119 -0.00007 133 4ZZ -0.00389 0.00145 -0.00224 0.00186 0.00014 134 4XY 0.00038 0.00156 0.00189 0.00098 0.00005 135 4XZ 0.00235 -0.00458 0.00115 -0.00211 -0.00007 136 4YZ -0.00168 0.00232 0.00026 -0.00022 0.00008 137 17 C 1S -0.00368 0.00193 -0.00126 0.00180 0.00012 138 2S 0.00581 -0.00376 0.00123 -0.00621 -0.00003 139 2PX 0.01153 -0.00372 0.00220 -0.01195 -0.00057 140 2PY -0.01391 0.01391 0.00029 0.01121 0.00046 141 2PZ 0.00544 0.00371 0.00570 0.00117 -0.00027 142 3S 0.00443 -0.00690 0.00086 -0.00892 0.00036 143 3PX 0.00017 -0.00164 -0.00249 -0.00283 -0.00001 144 3PY -0.00331 0.01830 -0.00133 0.01092 -0.00026 145 3PZ -0.00744 0.00652 -0.00363 0.00589 0.00012 146 4XX -0.00272 0.00165 -0.00215 0.00123 0.00011 147 4YY 0.00080 -0.00111 0.00083 -0.00030 -0.00008 148 4ZZ 0.00178 -0.00019 0.00126 -0.00036 -0.00006 149 4XY -0.00033 -0.00147 0.00048 -0.00065 0.00003 150 4XZ -0.00332 0.00067 -0.00188 0.00154 0.00013 151 4YZ 0.00359 -0.00202 0.00136 -0.00160 -0.00013 152 18 O 1S 0.00457 0.00208 0.00260 0.00092 -0.00012 153 2S -0.01158 -0.00613 -0.00614 -0.00468 0.00034 154 2PX -0.01283 -0.00674 -0.01518 -0.00522 0.00028 155 2PY 0.00841 0.00804 -0.00076 0.00885 -0.00028 156 2PZ -0.00225 -0.00040 -0.01152 0.00889 -0.00064 157 3S -0.00786 -0.01127 -0.00441 0.00203 -0.00003 158 3PX -0.00782 -0.00338 -0.01145 0.00046 -0.00008 159 3PY 0.00527 0.00637 -0.00116 0.00584 -0.00023 160 3PZ -0.00104 -0.00407 -0.00956 0.00422 -0.00059 161 4XX -0.00078 0.00131 -0.00004 0.00027 0.00006 162 4YY -0.00018 -0.00066 -0.00002 -0.00119 0.00002 163 4ZZ 0.00069 -0.00124 0.00035 -0.00071 -0.00001 164 4XY 0.00056 -0.00016 0.00050 -0.00023 0.00001 165 4XZ -0.00010 0.00064 0.00005 0.00038 0.00001 166 4YZ -0.00019 0.00054 0.00017 0.00034 -0.00004 167 19 H 1S 0.00795 -0.02138 -0.00249 -0.01045 0.00033 168 2S 0.00730 -0.03645 -0.00298 -0.02163 0.00129 169 20 H 1S -0.02749 0.02254 -0.01069 0.00693 0.00073 170 2S -0.03276 0.04293 -0.01626 0.02357 -0.00068 171 21 H 1S 0.01210 -0.00158 0.00877 -0.00403 -0.00031 172 2S 0.02086 -0.00652 0.01475 -0.00779 -0.00056 173 22 O 1S 0.00144 -0.00263 -0.00207 -0.00641 0.00006 174 2S 0.00391 0.00682 0.00695 0.01294 -0.00008 175 2PX -0.04870 0.04551 -0.02806 0.03116 0.00328 176 2PY 0.02111 0.01179 -0.00719 -0.01289 -0.00016 177 2PZ -0.09213 0.03824 -0.05303 0.04300 0.00251 178 3S -0.02041 0.02383 0.00112 0.02507 -0.00019 179 3PX -0.04107 0.03456 -0.02404 0.02366 0.00191 180 3PY 0.00961 0.01157 -0.00613 -0.00744 0.00012 181 3PZ -0.06530 0.03392 -0.03855 0.03640 0.00158 182 4XX 0.00032 -0.00300 0.00034 -0.00159 0.00023 183 4YY 0.00178 0.00115 -0.00060 -0.00051 -0.00007 184 4ZZ 0.00200 0.00059 0.00102 0.00014 -0.00017 185 4XY -0.00204 0.00209 -0.00096 0.00127 0.00014 186 4XZ 0.00053 -0.00173 0.00002 -0.00067 -0.00003 187 4YZ -0.00375 0.00076 -0.00165 0.00120 0.00017 188 23 H 1S -0.01620 0.00529 -0.01053 0.00921 0.00061 189 2S -0.02885 0.01286 -0.01947 0.01837 0.00067 86 87 88 89 90 86 4YY 0.00185 87 4ZZ -0.00083 0.00134 88 4XY 0.00016 -0.00014 0.00038 89 4XZ 0.00034 0.00007 0.00002 0.00090 90 4YZ 0.00008 0.00006 -0.00024 0.00012 0.00071 91 7 H 1S -0.00556 0.00659 0.00010 -0.00402 -0.00406 92 2S -0.00527 0.00408 0.00095 -0.00382 -0.00629 93 8 H 1S -0.00253 0.00052 0.00010 0.00007 -0.00104 94 2S -0.00367 0.00154 0.00001 0.00002 -0.00036 95 9 H 1S 0.00087 -0.00035 0.00061 0.00011 0.00036 96 2S 0.00156 -0.00131 0.00078 -0.00002 0.00046 97 10 H 1S -0.00152 -0.00049 -0.00075 -0.00039 0.00062 98 2S -0.00248 -0.00056 -0.00054 -0.00038 0.00067 99 11 H 1S -0.00269 0.00875 -0.00196 -0.00197 0.00112 100 2S -0.00207 0.00871 -0.00230 0.00141 0.00287 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 H 1S -0.00238 -0.00292 -0.00078 -0.00297 0.00156 104 2S -0.00166 -0.00322 -0.00206 -0.00037 0.00201 105 14 H 1S -0.00102 0.00149 -0.00087 0.00039 0.00054 106 2S -0.00203 0.00252 -0.00114 0.00119 0.00035 107 15 C 1S -0.00007 0.00001 0.00027 -0.00049 0.00025 108 2S 0.00036 0.00038 -0.00025 0.00107 -0.00040 109 2PX -0.00064 0.00194 -0.00122 0.00619 -0.00130 110 2PY -0.00103 0.00083 0.00074 0.00141 0.00016 111 2PZ -0.00063 0.00185 -0.00073 0.00555 -0.00105 112 3S 0.00170 0.00004 -0.00048 0.00209 -0.00116 113 3PX -0.00053 0.00198 -0.00048 0.00506 -0.00053 114 3PY -0.00098 0.00133 0.00017 0.00188 0.00013 115 3PZ -0.00051 0.00116 -0.00049 0.00352 -0.00100 116 4XX -0.00004 0.00004 0.00002 0.00011 -0.00003 117 4YY -0.00001 -0.00003 -0.00003 0.00004 -0.00003 118 4ZZ 0.00001 -0.00004 0.00007 -0.00023 0.00008 119 4XY 0.00012 -0.00002 0.00009 -0.00026 0.00010 120 4XZ 0.00006 -0.00003 -0.00008 -0.00006 0.00001 121 4YZ 0.00007 0.00005 0.00009 -0.00011 0.00008 122 16 C 1S 0.00008 -0.00041 0.00011 -0.00101 0.00033 123 2S -0.00132 0.00005 -0.00072 0.00281 -0.00076 124 2PX -0.00200 0.00061 -0.00214 0.00601 -0.00200 125 2PY 0.00199 -0.00069 -0.00057 -0.00293 -0.00008 126 2PZ -0.00090 -0.00119 -0.00182 0.00182 -0.00168 127 3S -0.00286 0.00019 -0.00121 0.00361 -0.00034 128 3PX -0.00205 0.00070 -0.00115 0.00414 -0.00204 129 3PY -0.00003 0.00085 0.00008 -0.00154 0.00065 130 3PZ -0.00072 -0.00039 -0.00128 0.00210 -0.00043 131 4XX 0.00001 -0.00010 0.00002 -0.00029 -0.00009 132 4YY 0.00015 0.00002 0.00001 0.00009 0.00000 133 4ZZ -0.00003 0.00004 0.00003 -0.00001 0.00010 134 4XY -0.00011 0.00014 -0.00001 0.00024 -0.00002 135 4XZ 0.00007 -0.00016 -0.00011 -0.00027 -0.00001 136 4YZ -0.00014 0.00021 -0.00003 0.00044 -0.00005 137 17 C 1S 0.00016 0.00000 0.00009 -0.00028 0.00002 138 2S -0.00029 0.00021 -0.00008 0.00103 -0.00011 139 2PX 0.00007 0.00019 -0.00001 0.00039 -0.00014 140 2PY -0.00011 0.00036 0.00032 0.00031 0.00006 141 2PZ 0.00020 0.00013 0.00026 -0.00035 0.00013 142 3S -0.00018 0.00015 -0.00023 0.00132 -0.00028 143 3PX 0.00014 -0.00032 -0.00005 -0.00112 -0.00004 144 3PY 0.00009 0.00034 0.00020 0.00033 0.00009 145 3PZ 0.00009 0.00010 0.00030 -0.00018 0.00027 146 4XX 0.00000 -0.00001 0.00007 -0.00008 0.00004 147 4YY 0.00002 0.00000 -0.00007 0.00004 -0.00001 148 4ZZ 0.00000 -0.00003 0.00001 -0.00008 0.00002 149 4XY 0.00001 -0.00002 0.00002 -0.00005 0.00001 150 4XZ -0.00001 0.00001 0.00000 0.00002 0.00003 151 4YZ 0.00004 -0.00006 0.00000 -0.00017 0.00001 152 18 O 1S -0.00012 -0.00010 -0.00009 0.00001 -0.00003 153 2S 0.00021 0.00019 0.00022 0.00001 -0.00002 154 2PX 0.00017 -0.00013 0.00113 -0.00181 0.00051 155 2PY 0.00052 -0.00023 -0.00053 -0.00036 -0.00004 156 2PZ 0.00105 -0.00054 0.00061 -0.00291 0.00067 157 3S 0.00004 0.00037 0.00019 0.00034 0.00034 158 3PX 0.00017 -0.00021 0.00088 -0.00170 0.00056 159 3PY 0.00054 -0.00038 -0.00043 -0.00067 -0.00006 160 3PZ 0.00085 -0.00068 0.00053 -0.00291 0.00055 161 4XX -0.00001 0.00007 -0.00002 0.00018 -0.00003 162 4YY -0.00001 0.00001 0.00003 0.00004 -0.00002 163 4ZZ 0.00000 -0.00008 -0.00001 -0.00017 0.00001 164 4XY -0.00003 0.00002 -0.00002 0.00010 -0.00002 165 4XZ 0.00000 -0.00001 -0.00003 0.00000 0.00000 166 4YZ -0.00001 0.00000 0.00000 0.00002 -0.00001 167 19 H 1S -0.00020 -0.00034 0.00021 -0.00086 0.00012 168 2S -0.00042 -0.00109 0.00013 -0.00197 0.00006 169 20 H 1S -0.00118 0.00145 0.00043 0.00289 0.00033 170 2S -0.00045 0.00205 0.00066 0.00206 0.00100 171 21 H 1S -0.00002 0.00003 0.00004 0.00001 -0.00002 172 2S -0.00005 -0.00026 -0.00022 -0.00094 -0.00021 173 22 O 1S 0.00031 0.00003 -0.00009 -0.00002 -0.00011 174 2S -0.00072 -0.00014 0.00028 0.00003 0.00026 175 2PX -0.00077 0.00034 0.00102 0.00068 0.00025 176 2PY 0.00000 0.00011 -0.00006 0.00041 -0.00032 177 2PZ 0.00015 0.00078 0.00019 0.00164 0.00033 178 3S -0.00078 0.00104 0.00071 0.00045 -0.00033 179 3PX -0.00033 0.00043 0.00084 0.00008 0.00012 180 3PY -0.00010 0.00035 0.00010 0.00086 -0.00035 181 3PZ 0.00028 0.00031 0.00031 0.00070 0.00054 182 4XX -0.00008 -0.00007 -0.00009 0.00016 -0.00002 183 4YY 0.00004 -0.00002 0.00001 0.00008 0.00002 184 4ZZ 0.00001 -0.00003 0.00003 -0.00015 0.00008 185 4XY -0.00002 0.00001 0.00002 -0.00003 -0.00001 186 4XZ 0.00005 -0.00005 -0.00005 -0.00011 0.00001 187 4YZ -0.00004 0.00006 -0.00001 0.00017 0.00001 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 91 92 93 94 95 91 7 H 1S 0.21724 92 2S 0.17508 0.16429 93 8 H 1S -0.02200 -0.02493 0.21724 94 2S -0.02493 -0.03128 0.17508 0.16429 95 9 H 1S -0.00954 -0.01804 -0.02322 -0.02695 0.21689 96 2S -0.02017 -0.02680 -0.02780 -0.03281 0.17480 97 10 H 1S 0.00337 0.00973 -0.00920 -0.02129 -0.01313 98 2S 0.00687 0.01666 -0.02202 -0.03595 -0.01111 99 11 H 1S -0.00920 -0.02129 0.00337 0.00973 -0.00710 100 2S -0.02202 -0.03595 0.00687 0.01666 -0.01349 101 12 H 1S -0.02322 -0.02696 -0.00954 -0.01804 0.00167 102 2S -0.02780 -0.03281 -0.02017 -0.02680 -0.00097 103 13 H 1S 0.00019 -0.00467 -0.00040 0.00018 -0.00553 104 2S 0.00013 -0.00454 0.00028 -0.00060 -0.01238 105 14 H 1S -0.00040 0.00019 0.00019 -0.00468 -0.00866 106 2S 0.00029 -0.00059 0.00012 -0.00455 -0.00561 107 15 C 1S 0.00002 -0.00006 -0.00020 -0.00032 0.00352 108 2S -0.00081 -0.00124 0.00178 0.00115 -0.00613 109 2PX 0.00140 -0.00782 0.00449 0.01194 -0.01582 110 2PY 0.00105 0.00046 0.00132 0.00115 -0.01299 111 2PZ -0.00024 -0.00694 0.00415 0.00746 -0.00548 112 3S 0.00819 0.01022 -0.00487 -0.00908 -0.02334 113 3PX -0.00087 -0.00998 0.01027 0.01681 -0.01586 114 3PY -0.00425 -0.00992 0.00725 0.01081 0.00394 115 3PZ 0.00481 0.00221 -0.00468 -0.00448 -0.00445 116 4XX 0.00001 -0.00018 0.00094 0.00039 0.00013 117 4YY 0.00001 -0.00014 -0.00008 -0.00004 0.00115 118 4ZZ -0.00010 0.00003 -0.00042 0.00006 -0.00051 119 4XY -0.00040 -0.00092 0.00001 0.00063 0.00129 120 4XZ -0.00019 -0.00060 0.00034 0.00061 0.00029 121 4YZ -0.00037 -0.00057 -0.00014 0.00044 0.00132 122 16 C 1S -0.00020 -0.00032 0.00002 -0.00006 -0.00158 123 2S 0.00178 0.00115 -0.00081 -0.00124 0.00237 124 2PX 0.00449 0.01194 0.00140 -0.00782 -0.00430 125 2PY -0.00132 -0.00115 -0.00105 -0.00046 0.00874 126 2PZ 0.00415 0.00746 -0.00024 -0.00694 -0.00434 127 3S -0.00487 -0.00908 0.00819 0.01022 0.01883 128 3PX 0.01027 0.01681 -0.00087 -0.00998 -0.00227 129 3PY -0.00725 -0.01081 0.00425 0.00992 0.00882 130 3PZ -0.00468 -0.00448 0.00481 0.00221 -0.00334 131 4XX 0.00094 0.00039 0.00001 -0.00018 -0.00027 132 4YY -0.00008 -0.00004 0.00001 -0.00014 0.00011 133 4ZZ -0.00042 0.00006 -0.00010 0.00003 -0.00015 134 4XY -0.00001 -0.00063 0.00040 0.00092 -0.00109 135 4XZ 0.00034 0.00061 -0.00019 -0.00060 0.00041 136 4YZ 0.00014 -0.00044 0.00037 0.00057 -0.00054 137 17 C 1S -0.00011 0.00008 -0.00011 0.00008 0.00010 138 2S -0.00047 -0.00106 -0.00046 -0.00106 -0.00066 139 2PX 0.00046 -0.00132 0.00046 -0.00132 0.00114 140 2PY -0.00124 -0.00019 0.00124 0.00019 0.00163 141 2PZ -0.00164 0.00140 -0.00164 0.00139 0.00107 142 3S 0.00059 -0.00065 0.00059 -0.00065 -0.00023 143 3PX 0.00268 0.00264 0.00267 0.00264 0.00044 144 3PY -0.00270 -0.00379 0.00270 0.00379 -0.00108 145 3PZ -0.00340 -0.00048 -0.00340 -0.00048 -0.00048 146 4XX -0.00036 -0.00001 -0.00036 -0.00001 -0.00008 147 4YY 0.00005 -0.00008 0.00005 -0.00007 0.00007 148 4ZZ 0.00009 -0.00007 0.00009 -0.00007 0.00010 149 4XY 0.00016 0.00016 -0.00016 -0.00016 0.00008 150 4XZ -0.00029 0.00016 -0.00029 0.00016 -0.00028 151 4YZ 0.00048 -0.00036 -0.00048 0.00036 -0.00034 152 18 O 1S -0.00024 -0.00051 0.00130 -0.00056 0.00125 153 2S 0.00104 0.00232 -0.00406 -0.00094 -0.00261 154 2PX -0.00036 0.00181 -0.00787 0.00138 -0.00526 155 2PY 0.00029 -0.00247 -0.00130 0.00569 -0.00239 156 2PZ -0.00077 -0.00436 -0.01334 0.00825 -0.00185 157 3S -0.00178 -0.00258 0.00048 0.00858 -0.00516 158 3PX -0.00173 -0.00070 -0.00364 0.00377 -0.00311 159 3PY 0.00055 -0.00095 -0.00134 0.00261 -0.00103 160 3PZ -0.00012 -0.00156 -0.01084 0.00332 0.00062 161 4XX 0.00000 -0.00020 -0.00012 0.00019 -0.00048 162 4YY 0.00012 0.00029 -0.00052 -0.00103 0.00063 163 4ZZ 0.00016 0.00056 0.00005 -0.00066 0.00014 164 4XY 0.00010 0.00003 0.00015 -0.00023 0.00034 165 4XZ -0.00005 -0.00015 0.00039 0.00027 0.00031 166 4YZ -0.00007 0.00010 0.00060 -0.00033 0.00055 167 19 H 1S 0.00126 0.00342 -0.00203 -0.00329 -0.00755 168 2S 0.00406 0.00957 -0.00887 -0.01223 -0.00284 169 20 H 1S -0.00203 -0.00329 0.00126 0.00342 -0.00200 170 2S -0.00887 -0.01223 0.00406 0.00957 -0.00474 171 21 H 1S 0.00013 0.00040 0.00013 0.00040 0.00047 172 2S 0.00523 0.00337 0.00523 0.00336 0.00051 173 22 O 1S 0.00130 -0.00056 -0.00024 -0.00051 0.00034 174 2S -0.00406 -0.00094 0.00104 0.00232 -0.00088 175 2PX -0.00786 0.00138 -0.00036 0.00180 -0.00065 176 2PY 0.00129 -0.00569 -0.00029 0.00247 -0.00349 177 2PZ -0.01334 0.00825 -0.00077 -0.00436 0.00569 178 3S 0.00048 0.00858 -0.00178 -0.00258 -0.00296 179 3PX -0.00364 0.00378 -0.00173 -0.00070 -0.00011 180 3PY 0.00134 -0.00261 -0.00055 0.00096 -0.00390 181 3PZ -0.01084 0.00332 -0.00012 -0.00156 0.00487 182 4XX -0.00012 0.00019 0.00000 -0.00020 -0.00010 183 4YY -0.00052 -0.00103 0.00012 0.00029 0.00003 184 4ZZ 0.00005 -0.00066 0.00016 0.00056 0.00005 185 4XY -0.00015 0.00023 -0.00010 -0.00003 0.00015 186 4XZ 0.00039 0.00027 -0.00005 -0.00015 -0.00001 187 4YZ -0.00060 0.00033 0.00007 -0.00010 -0.00004 188 23 H 1S -0.00125 0.00030 -0.00125 0.00030 -0.00109 189 2S -0.00257 0.00181 -0.00258 0.00181 -0.00069 96 97 98 99 100 96 2S 0.16313 97 10 H 1S -0.00817 0.21677 98 2S -0.00322 0.17931 0.17241 99 11 H 1S -0.01833 -0.02802 -0.03301 0.21677 100 2S -0.02634 -0.03300 -0.03951 0.17930 0.17240 101 12 H 1S -0.00097 -0.00709 -0.01348 -0.01313 -0.01112 102 2S -0.00327 -0.01833 -0.02633 -0.00818 -0.00323 103 13 H 1S -0.01301 0.01642 0.03290 -0.02461 -0.05553 104 2S -0.01780 0.02855 0.04385 -0.05110 -0.06291 105 14 H 1S -0.00364 -0.02461 -0.05553 0.01641 0.03287 106 2S -0.00187 -0.05111 -0.06291 0.02853 0.04382 107 15 C 1S 0.00299 0.00527 0.00154 -0.00089 -0.00225 108 2S -0.00426 -0.00989 -0.00351 0.00093 0.00354 109 2PX -0.02177 -0.02034 -0.01468 -0.00030 0.01051 110 2PY -0.01746 -0.00879 -0.00001 0.00055 0.00519 111 2PZ -0.01240 -0.00529 -0.01676 0.00171 0.00986 112 3S -0.02507 -0.03049 -0.02131 0.00695 0.00816 113 3PX -0.01979 -0.00988 -0.00874 0.00101 0.01119 114 3PY 0.00221 -0.01593 -0.01604 0.00437 0.01101 115 3PZ -0.00895 -0.00563 -0.00796 0.00150 0.00609 116 4XX -0.00085 0.00064 -0.00125 0.00022 0.00037 117 4YY 0.00170 -0.00016 0.00008 -0.00037 -0.00044 118 4ZZ -0.00047 0.00013 0.00120 -0.00001 -0.00021 119 4XY 0.00010 -0.00028 -0.00041 0.00092 0.00096 120 4XZ -0.00036 -0.00112 -0.00224 0.00021 0.00034 121 4YZ 0.00092 0.00061 -0.00075 0.00054 0.00087 122 16 C 1S -0.00290 -0.00089 -0.00225 0.00527 0.00153 123 2S 0.00462 0.00093 0.00354 -0.00988 -0.00350 124 2PX 0.00196 -0.00030 0.01051 -0.02033 -0.01467 125 2PY 0.01591 -0.00055 -0.00519 0.00878 0.00001 126 2PZ 0.00488 0.00171 0.00986 -0.00529 -0.01674 127 3S 0.02528 0.00694 0.00816 -0.03048 -0.02129 128 3PX 0.00329 0.00100 0.01119 -0.00988 -0.00873 129 3PY 0.00984 -0.00437 -0.01101 0.01592 0.01603 130 3PZ 0.00171 0.00150 0.00609 -0.00562 -0.00795 131 4XX 0.00020 0.00022 0.00037 0.00064 -0.00125 132 4YY 0.00003 -0.00038 -0.00044 -0.00016 0.00008 133 4ZZ -0.00073 -0.00001 -0.00021 0.00013 0.00120 134 4XY -0.00139 -0.00092 -0.00096 0.00028 0.00041 135 4XZ 0.00109 0.00020 0.00034 -0.00112 -0.00224 136 4YZ -0.00106 -0.00054 -0.00087 -0.00061 0.00075 137 17 C 1S 0.00086 0.00065 0.00001 0.00065 0.00001 138 2S -0.00313 -0.00191 0.00066 -0.00191 0.00067 139 2PX -0.00343 -0.00270 -0.00041 -0.00270 -0.00041 140 2PY -0.00631 -0.00507 -0.00585 0.00507 0.00584 141 2PZ 0.00331 0.00138 -0.00251 0.00138 -0.00251 142 3S -0.00303 -0.00318 -0.00051 -0.00317 -0.00050 143 3PX -0.00209 -0.00186 -0.00212 -0.00186 -0.00212 144 3PY -0.00436 -0.00537 -0.00795 0.00537 0.00795 145 3PZ 0.00069 0.00104 0.00150 0.00104 0.00150 146 4XX -0.00033 0.00052 0.00096 0.00052 0.00096 147 4YY 0.00029 -0.00043 -0.00048 -0.00043 -0.00048 148 4ZZ 0.00030 0.00012 -0.00048 0.00012 -0.00048 149 4XY -0.00018 0.00038 0.00090 -0.00038 -0.00090 150 4XZ -0.00021 0.00003 0.00060 0.00003 0.00060 151 4YZ 0.00030 0.00021 0.00118 -0.00021 -0.00118 152 18 O 1S -0.00309 -0.00258 -0.00236 0.00093 0.00141 153 2S 0.00678 0.00478 0.00441 -0.00183 -0.00309 154 2PX -0.00002 0.01276 0.02355 0.00017 -0.00322 155 2PY 0.01304 -0.00189 -0.00791 0.00170 0.00048 156 2PZ 0.00161 0.00315 0.02459 0.00091 -0.00475 157 3S 0.01142 0.01925 0.01852 -0.00730 -0.00845 158 3PX 0.00016 0.01151 0.01923 -0.00048 -0.00270 159 3PY 0.00824 -0.00251 -0.00760 0.00153 0.00017 160 3PZ 0.00428 0.00139 0.01707 0.00141 -0.00447 161 4XX -0.00078 -0.00134 -0.00120 0.00042 0.00081 162 4YY -0.00041 -0.00040 0.00027 0.00010 0.00013 163 4ZZ 0.00015 -0.00038 -0.00064 0.00013 -0.00029 164 4XY 0.00006 -0.00065 -0.00086 -0.00007 0.00013 165 4XZ -0.00008 -0.00033 -0.00069 0.00006 0.00020 166 4YZ 0.00024 0.00017 -0.00077 0.00006 0.00020 167 19 H 1S -0.00513 -0.00266 0.01259 -0.00222 -0.00346 168 2S 0.00157 0.01601 0.03128 -0.00825 -0.01426 169 20 H 1S -0.00900 -0.00222 -0.00346 -0.00266 0.01259 170 2S -0.01453 -0.00824 -0.01426 0.01601 0.03127 171 21 H 1S 0.00154 0.00037 -0.00304 0.00037 -0.00304 172 2S 0.00165 0.00003 -0.00685 0.00003 -0.00685 173 22 O 1S 0.00124 0.00093 0.00141 -0.00258 -0.00236 174 2S -0.00302 -0.00183 -0.00309 0.00478 0.00441 175 2PX -0.00815 0.00017 -0.00322 0.01275 0.02354 176 2PY -0.00103 -0.00170 -0.00048 0.00189 0.00791 177 2PZ -0.00002 0.00091 -0.00476 0.00315 0.02458 178 3S -0.00581 -0.00730 -0.00845 0.01924 0.01851 179 3PX -0.00565 -0.00048 -0.00270 0.01150 0.01922 180 3PY -0.00233 -0.00153 -0.00017 0.00251 0.00760 181 3PZ -0.00050 0.00140 -0.00447 0.00139 0.01707 182 4XX 0.00025 0.00042 0.00081 -0.00134 -0.00120 183 4YY -0.00003 0.00010 0.00013 -0.00040 0.00027 184 4ZZ -0.00007 0.00013 -0.00029 -0.00038 -0.00064 185 4XY 0.00003 0.00007 -0.00013 0.00065 0.00086 186 4XZ 0.00015 0.00006 0.00020 -0.00033 -0.00069 187 4YZ -0.00035 -0.00006 -0.00020 -0.00017 0.00077 188 23 H 1S -0.00100 0.00165 0.00413 0.00165 0.00413 189 2S -0.00061 0.00327 0.00566 0.00327 0.00565 101 102 103 104 105 101 12 H 1S 0.21689 102 2S 0.17480 0.16312 103 13 H 1S -0.00866 -0.00363 0.21519 104 2S -0.00560 -0.00186 0.17214 0.15965 105 14 H 1S -0.00554 -0.01301 -0.03097 -0.03287 0.21519 106 2S -0.01239 -0.01782 -0.03287 -0.03048 0.17214 107 15 C 1S -0.00158 -0.00290 -0.00017 -0.00101 -0.00569 108 2S 0.00237 0.00462 -0.00011 0.00165 0.01142 109 2PX -0.00430 0.00196 0.00824 0.02949 0.02669 110 2PY -0.00874 -0.01591 0.00090 0.00628 0.00982 111 2PZ -0.00434 0.00488 0.00462 0.02402 0.01420 112 3S 0.01882 0.02528 0.00309 0.00910 0.02484 113 3PX -0.00227 0.00329 0.00533 0.02228 0.01503 114 3PY -0.00882 -0.00984 -0.00560 -0.00153 0.01742 115 3PZ -0.00334 0.00171 0.00481 0.01617 0.01524 116 4XX -0.00027 0.00021 -0.00021 0.00068 -0.00108 117 4YY 0.00011 0.00003 0.00033 0.00028 0.00009 118 4ZZ -0.00015 -0.00073 -0.00032 -0.00144 -0.00012 119 4XY 0.00109 0.00139 -0.00128 -0.00305 -0.00011 120 4XZ 0.00041 0.00109 -0.00034 -0.00062 0.00077 121 4YZ 0.00054 0.00106 -0.00108 -0.00220 -0.00087 122 16 C 1S 0.00351 0.00300 -0.00569 -0.00774 -0.00017 123 2S -0.00613 -0.00426 0.01142 0.01691 -0.00010 124 2PX -0.01582 -0.02176 0.02669 0.06151 0.00825 125 2PY 0.01298 0.01746 -0.00982 -0.01885 -0.00090 126 2PZ -0.00548 -0.01240 0.01420 0.03321 0.00462 127 3S -0.02333 -0.02506 0.02483 0.03965 0.00309 128 3PX -0.01586 -0.01979 0.01504 0.03712 0.00534 129 3PY -0.00394 -0.00221 -0.01742 -0.02693 0.00559 130 3PZ -0.00445 -0.00896 0.01523 0.03099 0.00481 131 4XX 0.00013 -0.00085 -0.00108 -0.00018 -0.00021 132 4YY 0.00115 0.00170 0.00009 0.00024 0.00033 133 4ZZ -0.00051 -0.00047 -0.00012 -0.00138 -0.00032 134 4XY -0.00129 -0.00010 0.00011 0.00081 0.00128 135 4XZ 0.00029 -0.00036 0.00077 0.00156 -0.00034 136 4YZ -0.00132 -0.00092 0.00087 0.00221 0.00108 137 17 C 1S 0.00010 0.00086 -0.00085 -0.00217 -0.00085 138 2S -0.00066 -0.00313 0.00271 0.00711 0.00272 139 2PX 0.00114 -0.00343 0.00322 0.00980 0.00323 140 2PY -0.00163 0.00631 -0.00622 -0.00906 0.00622 141 2PZ 0.00106 0.00331 -0.00156 -0.00118 -0.00156 142 3S -0.00023 -0.00302 0.00386 0.00946 0.00386 143 3PX 0.00044 -0.00209 -0.00003 -0.00266 -0.00003 144 3PY 0.00108 0.00436 -0.00695 -0.01008 0.00695 145 3PZ -0.00048 0.00069 -0.00187 -0.00586 -0.00187 146 4XX -0.00008 -0.00033 -0.00081 -0.00244 -0.00081 147 4YY 0.00007 0.00029 0.00063 0.00159 0.00063 148 4ZZ 0.00010 0.00030 -0.00004 0.00008 -0.00004 149 4XY -0.00008 0.00018 0.00036 0.00069 -0.00036 150 4XZ -0.00028 -0.00021 -0.00022 -0.00119 -0.00022 151 4YZ 0.00034 -0.00030 0.00038 0.00057 -0.00038 152 18 O 1S 0.00034 0.00124 -0.00084 -0.00168 0.00282 153 2S -0.00088 -0.00302 0.00221 0.00460 -0.00546 154 2PX -0.00065 -0.00815 -0.00346 -0.01450 -0.01672 155 2PY 0.00349 0.00103 -0.00090 -0.00448 0.00082 156 2PZ 0.00569 -0.00002 -0.00468 -0.02098 -0.00972 157 3S -0.00296 -0.00581 0.00626 0.01139 -0.02005 158 3PX -0.00010 -0.00565 -0.00396 -0.01388 -0.01461 159 3PY 0.00390 0.00233 -0.00109 -0.00490 0.00185 160 3PZ 0.00487 -0.00050 -0.00449 -0.01877 -0.00719 161 4XX -0.00010 0.00025 -0.00013 0.00012 0.00151 162 4YY 0.00003 -0.00002 0.00009 0.00034 0.00015 163 4ZZ 0.00005 -0.00007 0.00004 -0.00021 0.00007 164 4XY -0.00015 -0.00003 0.00016 0.00071 0.00072 165 4XZ -0.00001 0.00015 -0.00004 -0.00016 0.00045 166 4YZ 0.00004 0.00035 -0.00015 0.00001 -0.00006 167 19 H 1S -0.00200 -0.00900 0.00274 0.00043 0.00330 168 2S -0.00474 -0.01453 0.00831 0.00475 -0.00995 169 20 H 1S -0.00755 -0.00513 0.00330 0.00435 0.00274 170 2S -0.00284 0.00157 -0.00996 -0.01571 0.00830 171 21 H 1S 0.00047 0.00154 0.00042 0.00366 0.00041 172 2S 0.00051 0.00165 0.00114 0.00551 0.00113 173 22 O 1S 0.00125 -0.00309 0.00282 0.00487 -0.00084 174 2S -0.00261 0.00678 -0.00546 -0.01002 0.00221 175 2PX -0.00526 -0.00002 -0.01672 -0.04162 -0.00346 176 2PY 0.00239 -0.01305 -0.00082 -0.00279 0.00090 177 2PZ -0.00185 0.00162 -0.00972 -0.02838 -0.00468 178 3S -0.00517 0.01142 -0.02004 -0.02790 0.00626 179 3PX -0.00311 0.00016 -0.01460 -0.03392 -0.00396 180 3PY 0.00103 -0.00824 -0.00185 -0.00265 0.00110 181 3PZ 0.00062 0.00428 -0.00719 -0.02418 -0.00449 182 4XX -0.00048 -0.00078 0.00151 0.00237 -0.00013 183 4YY 0.00063 -0.00041 0.00015 0.00023 0.00009 184 4ZZ 0.00014 0.00015 0.00007 -0.00001 0.00004 185 4XY -0.00034 -0.00006 -0.00072 -0.00189 -0.00016 186 4XZ 0.00031 -0.00008 0.00045 0.00068 -0.00004 187 4YZ -0.00055 -0.00024 0.00006 -0.00009 0.00015 188 23 H 1S -0.00109 -0.00100 -0.00322 -0.01109 -0.00322 189 2S -0.00069 -0.00061 -0.00781 -0.02543 -0.00781 106 107 108 109 110 106 2S 0.15965 107 15 C 1S -0.00774 2.05261 108 2S 0.01691 -0.06335 0.33257 109 2PX 0.06151 -0.01176 0.01998 0.35370 110 2PY 0.01884 0.00634 -0.01501 0.03631 0.42805 111 2PZ 0.03321 0.01404 -0.02170 0.01906 -0.02885 112 3S 0.03966 -0.17197 0.27272 0.08761 0.01081 113 3PX 0.03712 -0.02121 0.04292 0.18175 0.03494 114 3PY 0.02693 0.00657 -0.00325 0.04956 0.11867 115 3PZ 0.03099 0.00675 -0.02186 0.07209 0.00936 116 4XX -0.00018 -0.01239 -0.01159 -0.01053 0.00768 117 4YY 0.00024 -0.01714 -0.00125 0.00616 -0.01253 118 4ZZ -0.00138 -0.01510 -0.00556 0.00141 0.01278 119 4XY -0.00081 -0.00069 0.00120 0.00172 -0.00375 120 4XZ 0.00156 0.00382 -0.00899 0.00965 -0.01029 121 4YZ -0.00221 0.00389 -0.00798 -0.01323 -0.00743 122 16 C 1S -0.00101 0.01933 -0.04074 -0.01094 0.08149 123 2S 0.00165 -0.04074 0.07597 0.02249 -0.16744 124 2PX 0.02950 -0.01093 0.02249 0.16288 0.01403 125 2PY -0.00628 -0.08149 0.16745 -0.01403 -0.32253 126 2PZ 0.02403 -0.00946 0.01924 0.10689 0.03102 127 3S 0.00911 0.00367 0.02478 0.04729 -0.13772 128 3PX 0.02229 -0.00176 0.00269 0.10790 0.01351 129 3PY 0.00152 -0.00214 0.01919 -0.01647 -0.09538 130 3PZ 0.01617 -0.00505 0.01675 0.06605 0.03741 131 4XX 0.00068 0.00306 -0.00698 0.00153 0.01249 132 4YY 0.00028 -0.00652 0.01196 -0.00050 -0.00768 133 4ZZ -0.00144 0.00376 -0.00871 -0.00354 0.01074 134 4XY 0.00305 -0.00011 0.00072 0.01305 0.00508 135 4XZ -0.00062 -0.00126 0.00299 -0.00134 -0.00510 136 4YZ 0.00220 0.00093 -0.00176 0.00411 -0.00039 137 17 C 1S -0.00217 -0.00314 0.00638 -0.01152 -0.00990 138 2S 0.00712 0.00673 -0.01754 0.03150 0.03286 139 2PX 0.00980 0.01268 -0.03068 0.02354 0.02100 140 2PY 0.00906 0.00315 -0.00785 0.03053 -0.02359 141 2PZ -0.00118 -0.00739 0.01915 -0.02701 -0.00822 142 3S 0.00946 0.01015 -0.01295 0.04935 0.04942 143 3PX -0.00266 0.01056 -0.01965 -0.00271 0.01598 144 3PY 0.01007 0.00295 -0.00740 0.03169 -0.00309 145 3PZ -0.00586 -0.00561 0.00943 -0.01389 -0.00429 146 4XX -0.00244 -0.00080 0.00210 -0.00733 0.00190 147 4YY 0.00159 0.00216 -0.00472 0.00926 -0.00494 148 4ZZ 0.00008 -0.00173 0.00371 -0.00745 0.00112 149 4XY -0.00069 -0.00068 0.00166 -0.00086 -0.00201 150 4XZ -0.00119 0.00080 -0.00197 0.00588 0.00055 151 4YZ -0.00057 0.00033 -0.00055 0.00624 0.00077 152 18 O 1S 0.00487 0.00575 -0.00817 0.02661 -0.00953 153 2S -0.01001 -0.01014 0.01260 -0.06257 0.03255 154 2PX -0.04162 -0.05526 0.11976 -0.16222 0.10595 155 2PY 0.00279 0.02650 -0.05514 0.08202 -0.03446 156 2PZ -0.02838 0.03853 -0.07483 0.18835 -0.07732 157 3S -0.02791 0.00858 -0.01457 -0.03696 -0.02900 158 3PX -0.03393 -0.02443 0.05740 -0.09468 0.05563 159 3PY 0.00266 0.02158 -0.04412 0.05067 -0.03049 160 3PZ -0.02418 0.01944 -0.03655 0.09279 -0.04357 161 4XX 0.00237 -0.00264 0.00397 0.00732 0.00643 162 4YY 0.00023 -0.00114 0.00121 -0.00361 0.00068 163 4ZZ -0.00001 -0.00133 0.00154 -0.00646 0.00547 164 4XY 0.00189 0.00424 -0.00849 0.00830 0.00376 165 4XZ 0.00068 0.00528 -0.00877 0.00426 -0.00366 166 4YZ 0.00009 -0.00346 0.00613 -0.01220 -0.00315 167 19 H 1S 0.00436 -0.06712 0.13219 0.07498 0.16957 168 2S -0.01571 -0.01673 0.03913 0.03836 0.14224 169 20 H 1S 0.00043 0.01685 -0.03778 -0.01256 0.04264 170 2S 0.00474 0.02110 -0.04291 -0.02475 0.07153 171 21 H 1S 0.00366 -0.00639 0.01539 -0.02375 0.00702 172 2S 0.00551 -0.00610 0.01492 -0.04138 -0.00541 173 22 O 1S -0.00167 -0.00167 0.00506 -0.00607 -0.00187 174 2S 0.00459 0.00707 -0.01595 0.01456 0.01745 175 2PX -0.01452 0.00948 -0.02371 -0.05406 0.04109 176 2PY 0.00447 0.02371 -0.05641 0.02196 0.05732 177 2PZ -0.02098 0.00044 -0.00377 -0.05069 -0.04293 178 3S 0.01139 -0.00449 -0.00279 0.04409 -0.02611 179 3PX -0.01389 0.00713 -0.01771 -0.04782 0.02585 180 3PY 0.00490 0.01439 -0.03754 0.02404 0.04144 181 3PZ -0.01877 0.00260 -0.00728 -0.05535 -0.03222 182 4XX 0.00012 0.00035 -0.00011 0.00296 0.00359 183 4YY 0.00034 0.00145 -0.00240 0.00041 0.00269 184 4ZZ -0.00022 0.00100 -0.00105 -0.00402 0.00274 185 4XY -0.00071 -0.00095 0.00216 -0.00302 -0.00611 186 4XZ -0.00016 0.00014 -0.00039 0.00122 0.00119 187 4YZ -0.00001 0.00075 -0.00153 0.00079 0.00423 188 23 H 1S -0.01109 -0.00128 0.00253 -0.00529 0.00494 189 2S -0.02544 0.00094 -0.00185 -0.03561 -0.00678 111 112 113 114 115 111 2PZ 0.37250 112 3S -0.02659 0.29971 113 3PX 0.08695 0.06708 0.12471 114 3PY 0.01997 -0.00399 0.03310 0.05430 115 3PZ 0.15204 0.00051 0.06146 0.02263 0.08175 116 4XX 0.01099 -0.00903 -0.00247 0.00219 0.00351 117 4YY -0.00529 -0.00021 -0.00008 -0.00157 -0.00049 118 4ZZ -0.00455 -0.00500 0.00044 0.00161 -0.00234 119 4XY -0.01206 0.00208 -0.00129 -0.00261 -0.00470 120 4XZ -0.00675 -0.00357 0.00042 -0.00122 0.00012 121 4YZ 0.00864 -0.01236 -0.00582 -0.00152 0.00033 122 16 C 1S -0.00945 0.00367 -0.00176 0.00214 -0.00505 123 2S 0.01923 0.02478 0.00269 -0.01919 0.01675 124 2PX 0.10689 0.04729 0.10790 0.01647 0.06605 125 2PY -0.03103 0.13773 -0.01350 -0.09537 -0.03742 126 2PZ 0.12975 0.06414 0.06752 0.01934 0.08655 127 3S 0.06414 -0.03677 0.02455 0.00689 0.03437 128 3PX 0.06753 0.02455 0.06257 0.01791 0.05315 129 3PY -0.01935 -0.00689 -0.01792 -0.01861 -0.01742 130 3PZ 0.08654 0.03436 0.05315 0.01741 0.04911 131 4XX 0.00060 -0.00353 0.00135 0.00402 0.00175 132 4YY 0.00132 0.01095 0.00199 -0.00317 -0.00132 133 4ZZ -0.00492 -0.00908 -0.00425 0.00188 -0.00197 134 4XY 0.00442 0.00647 0.00819 0.00235 0.00436 135 4XZ -0.00098 0.00359 0.00003 -0.00294 -0.00229 136 4YZ 0.01358 -0.00473 0.00509 0.00302 0.00620 137 17 C 1S 0.00088 0.00659 -0.00869 -0.00707 -0.00109 138 2S 0.00092 -0.00918 0.01918 0.01699 0.00906 139 2PX -0.02323 -0.04600 0.02153 0.00387 -0.00788 140 2PY -0.03727 0.01697 0.02819 -0.02953 -0.02186 141 2PZ -0.00102 0.03497 -0.02188 0.00445 -0.00484 142 3S -0.00081 0.00519 0.02302 0.02301 0.01582 143 3PX -0.03443 -0.02793 -0.00699 -0.00175 -0.01561 144 3PY -0.02777 0.00490 0.01051 0.00031 -0.00461 145 3PZ -0.00634 0.00687 -0.01224 -0.00258 -0.00742 146 4XX 0.00471 -0.00284 -0.00316 -0.00097 0.00061 147 4YY -0.00647 -0.00306 0.00456 -0.00140 -0.00241 148 4ZZ 0.00216 0.00512 -0.00388 0.00127 0.00065 149 4XY 0.00227 0.00068 0.00386 -0.00347 -0.00208 150 4XZ -0.00268 -0.00163 0.00126 -0.00086 -0.00070 151 4YZ 0.00038 -0.00114 0.00306 0.00150 0.00113 152 18 O 1S -0.02436 0.03491 -0.00475 -0.01020 0.00952 153 2S 0.05494 -0.08912 0.01373 0.02120 -0.02437 154 2PX 0.18094 0.03538 -0.03145 0.01153 0.03240 155 2PY -0.07952 -0.06757 -0.02143 0.04807 -0.00628 156 2PZ -0.08632 -0.08962 0.07251 -0.03326 -0.03092 157 3S 0.05863 -0.13467 0.02482 0.01206 -0.02986 158 3PX 0.08462 0.00257 -0.02165 -0.00066 0.00690 159 3PY -0.06482 -0.05255 -0.01951 0.02862 -0.00929 160 3PZ -0.06400 -0.05651 0.03125 -0.02422 -0.02964 161 4XX 0.00497 0.00521 0.00493 0.00303 0.00340 162 4YY 0.00434 0.00233 0.00108 -0.00265 0.00113 163 4ZZ -0.00851 0.00369 -0.00568 0.00102 -0.00309 164 4XY -0.00942 -0.00425 0.00179 0.00214 -0.00152 165 4XZ -0.00103 -0.00578 0.00025 -0.00086 0.00112 166 4YZ 0.00307 0.00522 -0.00470 -0.00169 -0.00029 167 19 H 1S -0.18396 0.13427 0.02269 0.03640 -0.06121 168 2S -0.16120 0.04263 -0.00484 0.02193 -0.05495 169 20 H 1S -0.00218 -0.07011 -0.00642 0.02493 -0.00022 170 2S 0.00607 -0.06764 -0.00799 0.02647 -0.00150 171 21 H 1S 0.01455 0.03112 -0.01288 0.01181 0.00640 172 2S 0.01430 0.02963 -0.01982 0.00734 0.00351 173 22 O 1S 0.00720 -0.02204 0.00009 0.00839 -0.00190 174 2S -0.01527 0.04462 -0.00142 -0.01356 0.00722 175 2PX -0.03139 -0.03899 -0.06129 0.00425 -0.00348 176 2PY -0.01759 -0.12847 -0.02256 0.07206 0.02406 177 2PZ -0.05477 -0.01854 -0.06050 -0.04181 -0.03844 178 3S -0.04176 0.08732 0.00887 -0.03795 -0.00347 179 3PX -0.03641 -0.03135 -0.05161 -0.00043 -0.01116 180 3PY -0.00843 -0.08185 -0.00997 0.05020 0.01958 181 3PZ -0.04926 -0.02233 -0.05505 -0.03131 -0.03405 182 4XX 0.00423 0.00069 0.00177 0.00133 0.00260 183 4YY 0.00110 -0.00732 -0.00045 0.00374 0.00171 184 4ZZ -0.00165 -0.00196 -0.00144 0.00125 -0.00161 185 4XY -0.00029 -0.00006 -0.00314 -0.00169 -0.00009 186 4XZ -0.00038 -0.00026 0.00113 -0.00043 -0.00069 187 4YZ 0.00014 0.00025 0.00006 -0.00031 -0.00022 188 23 H 1S 0.00591 -0.00399 -0.00739 -0.00320 0.00178 189 2S -0.02526 -0.02479 -0.03243 -0.01792 -0.02142 116 117 118 119 120 116 4XX 0.00257 117 4YY -0.00066 0.00122 118 4ZZ -0.00051 -0.00036 0.00177 119 4XY -0.00076 0.00008 0.00055 0.00157 120 4XZ -0.00029 0.00086 -0.00049 0.00038 0.00159 121 4YZ 0.00050 -0.00004 0.00000 -0.00056 -0.00008 122 16 C 1S 0.00306 -0.00652 0.00376 0.00011 -0.00126 123 2S -0.00698 0.01196 -0.00871 -0.00072 0.00299 124 2PX 0.00154 -0.00050 -0.00354 -0.01305 -0.00134 125 2PY -0.01249 0.00768 -0.01074 0.00508 0.00510 126 2PZ 0.00060 0.00132 -0.00492 -0.00442 -0.00098 127 3S -0.00353 0.01095 -0.00908 -0.00648 0.00359 128 3PX 0.00135 0.00199 -0.00425 -0.00819 0.00003 129 3PY -0.00402 0.00317 -0.00188 0.00235 0.00294 130 3PZ 0.00175 -0.00132 -0.00197 -0.00436 -0.00229 131 4XX 0.00068 -0.00030 0.00019 0.00013 -0.00006 132 4YY -0.00030 -0.00012 -0.00031 -0.00009 -0.00025 133 4ZZ 0.00019 -0.00031 0.00079 0.00000 -0.00011 134 4XY -0.00013 0.00009 0.00000 0.00003 0.00031 135 4XZ -0.00006 -0.00025 -0.00011 -0.00031 0.00001 136 4YZ 0.00048 -0.00008 -0.00019 -0.00058 -0.00019 137 17 C 1S -0.00090 0.00096 -0.00057 -0.00137 -0.00004 138 2S 0.00265 -0.00239 0.00111 0.00302 -0.00068 139 2PX 0.00613 -0.00374 0.00264 0.00532 -0.00384 140 2PY 0.00294 -0.00283 0.00156 0.00802 0.00057 141 2PZ -0.00296 0.00195 -0.00165 -0.00252 0.00166 142 3S 0.00059 -0.00173 0.00098 0.00263 0.00112 143 3PX 0.00036 -0.00157 0.00328 0.00344 -0.00084 144 3PY -0.00022 0.00093 -0.00015 0.00335 0.00257 145 3PZ -0.00345 0.00071 0.00177 -0.00021 -0.00038 146 4XX -0.00048 -0.00031 0.00078 0.00045 -0.00076 147 4YY 0.00034 0.00017 -0.00013 -0.00018 0.00039 148 4ZZ 0.00021 0.00013 -0.00068 -0.00033 0.00018 149 4XY 0.00026 -0.00068 0.00053 0.00051 -0.00063 150 4XZ -0.00104 0.00015 0.00079 0.00003 0.00020 151 4YZ -0.00104 0.00032 0.00065 0.00033 0.00006 152 18 O 1S -0.00322 0.00182 -0.00090 0.00470 0.00505 153 2S 0.00839 -0.00409 0.00234 -0.01079 -0.01161 154 2PX -0.00944 -0.00918 0.01398 -0.00449 -0.02005 155 2PY -0.01046 0.01653 -0.00638 -0.01261 0.01476 156 2PZ -0.02941 0.00565 0.02477 0.01651 0.00339 157 3S 0.00468 -0.00025 0.00267 -0.01469 -0.00972 158 3PX -0.00783 -0.00558 0.01124 0.00028 -0.01187 159 3PY -0.00632 0.01096 -0.00436 -0.00711 0.01042 160 3PZ -0.02040 0.00317 0.01746 0.01091 0.00064 161 4XX -0.00032 -0.00004 0.00019 -0.00022 -0.00006 162 4YY 0.00061 -0.00085 0.00032 0.00094 -0.00074 163 4ZZ 0.00039 0.00003 -0.00048 -0.00014 0.00023 164 4XY 0.00057 0.00024 -0.00030 0.00006 0.00079 165 4XZ 0.00006 0.00022 -0.00002 0.00024 0.00065 166 4YZ 0.00114 -0.00030 -0.00107 -0.00033 -0.00029 167 19 H 1S -0.00934 -0.00167 0.00675 0.00634 -0.00355 168 2S -0.00724 -0.00147 0.00844 0.00604 -0.00266 169 20 H 1S 0.00263 0.00051 0.00228 -0.00243 -0.00114 170 2S 0.00349 -0.00296 0.00487 -0.00041 -0.00217 171 21 H 1S 0.00095 0.00056 -0.00334 -0.00174 0.00117 172 2S 0.00366 0.00073 -0.00572 -0.00256 0.00167 173 22 O 1S 0.00001 -0.00112 -0.00027 -0.00006 -0.00024 174 2S 0.00037 0.00166 0.00067 -0.00010 0.00049 175 2PX -0.00316 0.00309 0.00288 0.00582 0.00024 176 2PY -0.00010 0.00537 -0.00049 0.00300 0.00140 177 2PZ -0.00257 -0.00237 0.00310 -0.00420 -0.00091 178 3S -0.00165 0.00285 -0.00035 -0.00067 0.00291 179 3PX -0.00260 0.00146 0.00278 0.00413 0.00006 180 3PY -0.00019 0.00403 -0.00066 0.00134 0.00124 181 3PZ -0.00153 -0.00135 0.00230 -0.00166 -0.00036 182 4XX -0.00003 0.00007 -0.00004 -0.00054 -0.00008 183 4YY 0.00023 0.00005 -0.00002 0.00036 -0.00014 184 4ZZ 0.00020 -0.00008 0.00005 0.00010 0.00004 185 4XY -0.00042 0.00039 -0.00016 0.00033 0.00011 186 4XZ 0.00002 -0.00029 0.00022 0.00000 -0.00009 187 4YZ 0.00011 -0.00036 0.00031 -0.00040 -0.00015 188 23 H 1S -0.00398 -0.00002 0.00291 0.00085 -0.00022 189 2S -0.00782 0.00013 0.00705 0.00259 -0.00116 121 122 123 124 125 121 4YZ 0.00181 122 16 C 1S -0.00093 2.05261 123 2S 0.00176 -0.06334 0.33257 124 2PX -0.00411 -0.01176 0.01998 0.35370 125 2PY -0.00039 -0.00634 0.01501 -0.03631 0.42805 126 2PZ -0.01358 0.01404 -0.02170 0.01906 0.02885 127 3S 0.00473 -0.17197 0.27272 0.08761 -0.01081 128 3PX -0.00509 -0.02121 0.04293 0.18175 -0.03495 129 3PY 0.00302 -0.00657 0.00325 -0.04956 0.11867 130 3PZ -0.00620 0.00674 -0.02185 0.07208 -0.00936 131 4XX -0.00048 -0.01239 -0.01159 -0.01053 -0.00768 132 4YY 0.00008 -0.01714 -0.00125 0.00616 0.01253 133 4ZZ 0.00019 -0.01510 -0.00556 0.00141 -0.01278 134 4XY -0.00058 0.00069 -0.00120 -0.00172 -0.00375 135 4XZ 0.00019 0.00382 -0.00899 0.00965 0.01029 136 4YZ 0.00061 -0.00389 0.00798 0.01323 -0.00743 137 17 C 1S 0.00181 -0.00314 0.00638 -0.01152 0.00990 138 2S -0.00437 0.00673 -0.01754 0.03150 -0.03286 139 2PX -0.00547 0.01268 -0.03068 0.02354 -0.02100 140 2PY -0.00723 -0.00315 0.00785 -0.03053 -0.02359 141 2PZ 0.00160 -0.00739 0.01915 -0.02702 0.00822 142 3S -0.00502 0.01015 -0.01295 0.04935 -0.04941 143 3PX -0.00130 0.01056 -0.01965 -0.00270 -0.01598 144 3PY -0.00314 -0.00295 0.00740 -0.03169 -0.00309 145 3PZ 0.00124 -0.00561 0.00943 -0.01389 0.00429 146 4XX 0.00012 -0.00080 0.00210 -0.00733 -0.00190 147 4YY -0.00003 0.00216 -0.00472 0.00926 0.00494 148 4ZZ 0.00020 -0.00173 0.00371 -0.00745 -0.00112 149 4XY -0.00023 0.00068 -0.00166 0.00086 -0.00200 150 4XZ 0.00020 0.00080 -0.00197 0.00587 -0.00055 151 4YZ 0.00012 -0.00033 0.00055 -0.00624 0.00077 152 18 O 1S -0.00413 -0.00167 0.00506 -0.00607 0.00187 153 2S 0.00922 0.00707 -0.01595 0.01456 -0.01745 154 2PX 0.01220 0.00948 -0.02371 -0.05406 -0.04110 155 2PY 0.00926 -0.02371 0.05641 -0.02196 0.05732 156 2PZ -0.00084 0.00044 -0.00377 -0.05069 0.04294 157 3S 0.01448 -0.00449 -0.00279 0.04408 0.02610 158 3PX 0.00699 0.00713 -0.01771 -0.04782 -0.02585 159 3PY 0.00564 -0.01439 0.03754 -0.02403 0.04144 160 3PZ 0.00083 0.00260 -0.00728 -0.05535 0.03222 161 4XX -0.00013 0.00035 -0.00011 0.00296 -0.00359 162 4YY -0.00074 0.00145 -0.00240 0.00041 -0.00269 163 4ZZ -0.00017 0.00100 -0.00105 -0.00402 -0.00273 164 4XY -0.00053 0.00095 -0.00216 0.00302 -0.00611 165 4XZ -0.00001 0.00014 -0.00039 0.00122 -0.00119 166 4YZ 0.00010 -0.00075 0.00153 -0.00079 0.00423 167 19 H 1S -0.01345 0.01685 -0.03778 -0.01256 -0.04264 168 2S -0.01024 0.02110 -0.04291 -0.02474 -0.07153 169 20 H 1S 0.00701 -0.06712 0.13219 0.07498 -0.16956 170 2S 0.00665 -0.01673 0.03914 0.03836 -0.14223 171 21 H 1S -0.00005 -0.00639 0.01539 -0.02375 -0.00702 172 2S 0.00087 -0.00610 0.01492 -0.04137 0.00541 173 22 O 1S 0.00031 0.00575 -0.00817 0.02661 0.00953 174 2S -0.00054 -0.01014 0.01260 -0.06257 -0.03255 175 2PX -0.00542 -0.05526 0.11976 -0.16224 -0.10596 176 2PY -0.00363 -0.02650 0.05514 -0.08203 -0.03446 177 2PZ 0.00347 0.03853 -0.07482 0.18833 0.07732 178 3S -0.00097 0.00858 -0.01457 -0.03696 0.02900 179 3PX -0.00252 -0.02443 0.05740 -0.09469 -0.05563 180 3PY -0.00270 -0.02159 0.04412 -0.05068 -0.03049 181 3PZ 0.00313 0.01943 -0.03655 0.09278 0.04357 182 4XX -0.00008 -0.00264 0.00397 0.00731 -0.00643 183 4YY -0.00034 -0.00114 0.00121 -0.00361 -0.00068 184 4ZZ 0.00041 -0.00133 0.00153 -0.00646 -0.00547 185 4XY -0.00019 -0.00424 0.00849 -0.00830 0.00376 186 4XZ -0.00008 0.00528 -0.00877 0.00426 0.00366 187 4YZ 0.00004 0.00346 -0.00613 0.01220 -0.00314 188 23 H 1S 0.00136 -0.00128 0.00253 -0.00529 -0.00494 189 2S 0.00382 0.00094 -0.00185 -0.03561 0.00678 126 127 128 129 130 126 2PZ 0.37251 127 3S -0.02658 0.29971 128 3PX 0.08695 0.06708 0.12471 129 3PY -0.01997 0.00399 -0.03310 0.05430 130 3PZ 0.15204 0.00052 0.06146 -0.02263 0.08174 131 4XX 0.01099 -0.00903 -0.00247 -0.00219 0.00351 132 4YY -0.00529 -0.00021 -0.00008 0.00157 -0.00049 133 4ZZ -0.00455 -0.00500 0.00044 -0.00161 -0.00234 134 4XY 0.01206 -0.00208 0.00129 -0.00261 0.00470 135 4XZ -0.00675 -0.00357 0.00042 0.00122 0.00012 136 4YZ -0.00864 0.01236 0.00582 -0.00152 -0.00033 137 17 C 1S 0.00088 0.00659 -0.00869 0.00707 -0.00109 138 2S 0.00092 -0.00918 0.01918 -0.01699 0.00905 139 2PX -0.02323 -0.04600 0.02153 -0.00387 -0.00788 140 2PY 0.03727 -0.01696 -0.02819 -0.02953 0.02186 141 2PZ -0.00102 0.03497 -0.02188 -0.00445 -0.00485 142 3S -0.00081 0.00519 0.02302 -0.02301 0.01582 143 3PX -0.03443 -0.02793 -0.00699 0.00175 -0.01561 144 3PY 0.02777 -0.00490 -0.01051 0.00031 0.00461 145 3PZ -0.00633 0.00687 -0.01224 0.00258 -0.00742 146 4XX 0.00471 -0.00284 -0.00316 0.00097 0.00061 147 4YY -0.00647 -0.00306 0.00456 0.00140 -0.00241 148 4ZZ 0.00216 0.00512 -0.00388 -0.00127 0.00065 149 4XY -0.00227 -0.00068 -0.00386 -0.00347 0.00208 150 4XZ -0.00267 -0.00163 0.00125 0.00086 -0.00070 151 4YZ -0.00038 0.00114 -0.00306 0.00150 -0.00113 152 18 O 1S 0.00720 -0.02204 0.00010 -0.00839 -0.00190 153 2S -0.01527 0.04462 -0.00142 0.01356 0.00722 154 2PX -0.03139 -0.03898 -0.06130 -0.00424 -0.00347 155 2PY 0.01759 0.12847 0.02257 0.07206 -0.02406 156 2PZ -0.05476 -0.01853 -0.06051 0.04182 -0.03842 157 3S -0.04177 0.08732 0.00886 0.03795 -0.00348 158 3PX -0.03642 -0.03134 -0.05162 0.00044 -0.01115 159 3PY 0.00843 0.08185 0.00997 0.05020 -0.01958 160 3PZ -0.04926 -0.02232 -0.05505 0.03132 -0.03404 161 4XX 0.00423 0.00069 0.00177 -0.00133 0.00260 162 4YY 0.00111 -0.00732 -0.00045 -0.00374 0.00171 163 4ZZ -0.00165 -0.00196 -0.00144 -0.00125 -0.00161 164 4XY 0.00029 0.00006 0.00314 -0.00169 0.00009 165 4XZ -0.00038 -0.00026 0.00113 0.00043 -0.00069 166 4YZ -0.00014 -0.00025 -0.00006 -0.00031 0.00022 167 19 H 1S -0.00218 -0.07011 -0.00642 -0.02493 -0.00021 168 2S 0.00607 -0.06764 -0.00799 -0.02647 -0.00149 169 20 H 1S -0.18397 0.13427 0.02269 -0.03640 -0.06121 170 2S -0.16121 0.04263 -0.00484 -0.02193 -0.05495 171 21 H 1S 0.01455 0.03112 -0.01288 -0.01181 0.00640 172 2S 0.01430 0.02963 -0.01981 -0.00734 0.00351 173 22 O 1S -0.02435 0.03492 -0.00475 0.01020 0.00952 174 2S 0.05494 -0.08913 0.01372 -0.02120 -0.02437 175 2PX 0.18093 0.03540 -0.03147 -0.01153 0.03241 176 2PY 0.07952 0.06759 0.02142 0.04806 0.00628 177 2PZ -0.08630 -0.08961 0.07250 0.03327 -0.03090 178 3S 0.05864 -0.13467 0.02483 -0.01206 -0.02985 179 3PX 0.08462 0.00259 -0.02166 0.00066 0.00691 180 3PY 0.06482 0.05256 0.01951 0.02862 0.00930 181 3PZ -0.06399 -0.05650 0.03125 0.02423 -0.02963 182 4XX 0.00497 0.00521 0.00493 -0.00303 0.00340 183 4YY 0.00434 0.00233 0.00108 0.00265 0.00113 184 4ZZ -0.00851 0.00369 -0.00568 -0.00102 -0.00309 185 4XY 0.00942 0.00425 -0.00179 0.00214 0.00152 186 4XZ -0.00103 -0.00578 0.00025 0.00086 0.00112 187 4YZ -0.00307 -0.00522 0.00470 -0.00169 0.00029 188 23 H 1S 0.00591 -0.00399 -0.00740 0.00320 0.00178 189 2S -0.02525 -0.02479 -0.03244 0.01792 -0.02141 131 132 133 134 135 131 4XX 0.00257 132 4YY -0.00066 0.00122 133 4ZZ -0.00051 -0.00036 0.00177 134 4XY 0.00076 -0.00008 -0.00055 0.00157 135 4XZ -0.00029 0.00086 -0.00049 -0.00038 0.00159 136 4YZ -0.00050 0.00003 0.00000 -0.00056 0.00008 137 17 C 1S -0.00090 0.00096 -0.00057 0.00137 -0.00004 138 2S 0.00265 -0.00239 0.00112 -0.00302 -0.00068 139 2PX 0.00613 -0.00375 0.00264 -0.00532 -0.00384 140 2PY -0.00294 0.00283 -0.00156 0.00802 -0.00057 141 2PZ -0.00296 0.00195 -0.00165 0.00252 0.00166 142 3S 0.00059 -0.00173 0.00098 -0.00263 0.00112 143 3PX 0.00036 -0.00157 0.00328 -0.00344 -0.00084 144 3PY 0.00022 -0.00093 0.00015 0.00335 -0.00257 145 3PZ -0.00345 0.00071 0.00177 0.00021 -0.00039 146 4XX -0.00048 -0.00031 0.00078 -0.00045 -0.00076 147 4YY 0.00034 0.00017 -0.00013 0.00018 0.00039 148 4ZZ 0.00021 0.00013 -0.00068 0.00033 0.00018 149 4XY -0.00026 0.00068 -0.00053 0.00051 0.00063 150 4XZ -0.00104 0.00015 0.00079 -0.00003 0.00020 151 4YZ 0.00104 -0.00032 -0.00065 0.00033 -0.00006 152 18 O 1S 0.00001 -0.00112 -0.00027 0.00006 -0.00024 153 2S 0.00037 0.00166 0.00067 0.00010 0.00049 154 2PX -0.00316 0.00309 0.00288 -0.00582 0.00024 155 2PY 0.00010 -0.00537 0.00048 0.00300 -0.00140 156 2PZ -0.00257 -0.00237 0.00310 0.00420 -0.00091 157 3S -0.00165 0.00285 -0.00035 0.00067 0.00291 158 3PX -0.00260 0.00146 0.00278 -0.00413 0.00006 159 3PY 0.00019 -0.00403 0.00065 0.00134 -0.00124 160 3PZ -0.00153 -0.00135 0.00230 0.00166 -0.00036 161 4XX -0.00003 0.00007 -0.00004 0.00054 -0.00008 162 4YY 0.00023 0.00005 -0.00002 -0.00036 -0.00014 163 4ZZ 0.00020 -0.00008 0.00005 -0.00010 0.00004 164 4XY 0.00042 -0.00039 0.00016 0.00033 -0.00011 165 4XZ 0.00002 -0.00029 0.00022 0.00000 -0.00009 166 4YZ -0.00011 0.00036 -0.00031 -0.00040 0.00015 167 19 H 1S 0.00263 0.00051 0.00228 0.00243 -0.00114 168 2S 0.00349 -0.00296 0.00487 0.00041 -0.00217 169 20 H 1S -0.00934 -0.00167 0.00676 -0.00634 -0.00355 170 2S -0.00724 -0.00147 0.00844 -0.00604 -0.00266 171 21 H 1S 0.00095 0.00056 -0.00334 0.00174 0.00117 172 2S 0.00366 0.00073 -0.00572 0.00256 0.00167 173 22 O 1S -0.00322 0.00182 -0.00090 -0.00470 0.00505 174 2S 0.00839 -0.00409 0.00234 0.01080 -0.01161 175 2PX -0.00944 -0.00918 0.01398 0.00449 -0.02005 176 2PY 0.01047 -0.01653 0.00638 -0.01261 -0.01476 177 2PZ -0.02941 0.00565 0.02477 -0.01651 0.00339 178 3S 0.00468 -0.00024 0.00266 0.01469 -0.00972 179 3PX -0.00783 -0.00558 0.01124 -0.00028 -0.01187 180 3PY 0.00633 -0.01096 0.00436 -0.00710 -0.01042 181 3PZ -0.02040 0.00316 0.01747 -0.01091 0.00064 182 4XX -0.00032 -0.00004 0.00019 0.00022 -0.00006 183 4YY 0.00061 -0.00085 0.00032 -0.00094 -0.00074 184 4ZZ 0.00039 0.00003 -0.00048 0.00014 0.00023 185 4XY -0.00057 -0.00024 0.00030 0.00006 -0.00079 186 4XZ 0.00006 0.00022 -0.00002 -0.00024 0.00065 187 4YZ -0.00114 0.00030 0.00107 -0.00033 0.00029 188 23 H 1S -0.00398 -0.00002 0.00291 -0.00085 -0.00022 189 2S -0.00782 0.00013 0.00705 -0.00259 -0.00116 136 137 138 139 140 136 4YZ 0.00181 137 17 C 1S -0.00181 2.04988 138 2S 0.00437 -0.06565 0.34507 139 2PX 0.00547 0.01935 -0.03140 0.38994 140 2PY -0.00723 0.00000 0.00000 0.00000 0.29478 141 2PZ -0.00160 -0.00692 0.01464 0.02506 -0.00001 142 3S 0.00502 -0.14933 0.26010 -0.06912 0.00000 143 3PX 0.00130 0.01725 -0.03492 0.12990 0.00000 144 3PY -0.00314 0.00000 0.00000 0.00000 0.07132 145 3PZ -0.00124 -0.00163 0.00467 0.00311 0.00000 146 4XX -0.00012 -0.01697 -0.00181 -0.00431 0.00000 147 4YY 0.00003 -0.01319 -0.01006 0.02120 0.00000 148 4ZZ -0.00020 -0.01826 0.00097 -0.01463 0.00000 149 4XY -0.00022 0.00000 0.00000 0.00000 0.02764 150 4XZ -0.00020 -0.00017 -0.00018 -0.01751 0.00000 151 4YZ 0.00012 0.00000 0.00000 0.00000 -0.01019 152 18 O 1S -0.00031 0.00368 -0.00203 -0.02027 -0.02801 153 2S 0.00054 -0.00672 0.00297 0.04948 0.06706 154 2PX 0.00542 0.03469 -0.07270 -0.09685 -0.17469 155 2PY -0.00364 0.05992 -0.13211 -0.18916 -0.22062 156 2PZ -0.00347 -0.01056 0.01809 0.03501 0.06343 157 3S 0.00097 0.01957 -0.05250 0.03486 0.03410 158 3PX 0.00252 0.01125 -0.02665 -0.05638 -0.07985 159 3PY -0.00270 0.03577 -0.07755 -0.11133 -0.13355 160 3PZ -0.00313 -0.00085 -0.00022 0.00521 0.02265 161 4XX 0.00008 -0.00075 0.00110 -0.00914 -0.00066 162 4YY 0.00034 -0.00707 0.01324 0.01503 0.01036 163 4ZZ -0.00041 0.00146 -0.00268 -0.00327 -0.00276 164 4XY -0.00019 -0.00478 0.00902 0.00117 0.00632 165 4XZ 0.00008 0.00072 -0.00063 0.00111 0.00043 166 4YZ 0.00004 0.00109 -0.00218 -0.00149 0.00046 167 19 H 1S -0.00701 -0.00640 0.01742 0.02347 0.02368 168 2S -0.00665 -0.00665 0.01862 0.03204 0.02341 169 20 H 1S 0.01345 -0.00640 0.01742 0.02347 -0.02368 170 2S 0.01024 -0.00664 0.01863 0.03204 -0.02341 171 21 H 1S 0.00005 -0.06049 0.12724 -0.04986 -0.00001 172 2S -0.00087 -0.01309 0.03866 -0.02089 -0.00001 173 22 O 1S 0.00413 0.00368 -0.00203 -0.02027 0.02801 174 2S -0.00922 -0.00672 0.00297 0.04947 -0.06706 175 2PX -0.01220 0.03469 -0.07269 -0.09685 0.17468 176 2PY 0.00926 -0.05992 0.13211 0.18915 -0.22062 177 2PZ 0.00083 -0.01057 0.01810 0.03503 -0.06345 178 3S -0.01448 0.01957 -0.05250 0.03486 -0.03410 179 3PX -0.00700 0.01125 -0.02665 -0.05638 0.07985 180 3PY 0.00564 -0.03577 0.07755 0.11133 -0.13355 181 3PZ -0.00084 -0.00085 -0.00021 0.00521 -0.02266 182 4XX 0.00013 -0.00074 0.00110 -0.00914 0.00067 183 4YY 0.00074 -0.00707 0.01324 0.01503 -0.01036 184 4ZZ 0.00017 0.00146 -0.00268 -0.00327 0.00276 185 4XY -0.00053 0.00477 -0.00902 -0.00117 0.00632 186 4XZ 0.00001 0.00072 -0.00063 0.00111 -0.00043 187 4YZ 0.00010 -0.00109 0.00218 0.00149 0.00045 188 23 H 1S -0.00136 -0.05869 0.11885 -0.21470 0.00001 189 2S -0.00382 -0.00827 0.02349 -0.17724 0.00001 141 142 143 144 145 141 2PZ 0.46071 142 3S 0.01026 0.23162 143 3PX -0.00343 -0.03445 0.05548 144 3PY 0.00000 0.00000 0.00000 0.02776 145 3PZ 0.16102 -0.00043 0.00132 0.00000 0.06558 146 4XX -0.01505 0.00000 0.00077 0.00000 -0.00237 147 4YY -0.00793 -0.01252 0.00632 0.00000 -0.00359 148 4ZZ 0.02225 0.00474 -0.00611 0.00000 0.00601 149 4XY 0.00000 0.00000 0.00000 0.00411 0.00000 150 4XZ -0.01527 0.00242 -0.00338 0.00000 -0.00255 151 4YZ 0.00000 0.00000 0.00000 -0.00226 0.00000 152 18 O 1S 0.00807 0.02965 0.00241 -0.00259 -0.00277 153 2S -0.01882 -0.07504 -0.00617 0.00242 0.00519 154 2PX 0.03596 -0.04356 -0.01033 -0.07791 0.04616 155 2PY 0.06968 -0.09851 -0.06249 -0.01595 0.02576 156 2PZ -0.01039 0.00492 0.04482 0.01984 0.04518 157 3S -0.01700 -0.13434 -0.01247 -0.00764 0.01192 158 3PX 0.00578 -0.01208 -0.00013 -0.04103 0.02741 159 3PY 0.03808 -0.05908 -0.03572 -0.00586 0.01362 160 3PZ -0.02127 -0.00684 0.02735 0.00588 0.02749 161 4XX -0.00076 0.00253 -0.00327 0.00023 0.00008 162 4YY -0.00495 0.00995 0.00460 0.00088 -0.00199 163 4ZZ 0.00639 -0.00061 -0.00084 -0.00006 0.00090 164 4XY -0.00327 0.00667 -0.00074 0.00320 -0.00251 165 4XZ -0.00698 0.00039 0.00116 0.00090 -0.00266 166 4YZ -0.00678 -0.00167 -0.00140 -0.00068 -0.00418 167 19 H 1S -0.00883 0.02693 0.01896 0.01606 0.00207 168 2S -0.02334 0.02467 0.02621 0.01285 0.00066 169 20 H 1S -0.00883 0.02693 0.01896 -0.01606 0.00207 170 2S -0.02335 0.02467 0.02621 -0.01286 0.00066 171 21 H 1S 0.27570 0.10523 -0.03670 0.00000 0.08871 172 2S 0.22750 0.03141 -0.02453 0.00000 0.06329 173 22 O 1S 0.00808 0.02965 0.00241 0.00259 -0.00277 174 2S -0.01882 -0.07504 -0.00617 -0.00242 0.00519 175 2PX 0.03597 -0.04356 -0.01033 0.07791 0.04617 176 2PY -0.06970 0.09851 0.06249 -0.01595 -0.02576 177 2PZ -0.01040 0.00493 0.04482 -0.01985 0.04518 178 3S -0.01700 -0.13434 -0.01247 0.00764 0.01192 179 3PX 0.00578 -0.01208 -0.00013 0.04103 0.02742 180 3PY -0.03809 0.05909 0.03572 -0.00586 -0.01362 181 3PZ -0.02127 -0.00684 0.02735 -0.00588 0.02750 182 4XX -0.00076 0.00253 -0.00327 -0.00023 0.00008 183 4YY -0.00495 0.00995 0.00460 -0.00088 -0.00199 184 4ZZ 0.00639 -0.00061 -0.00084 0.00006 0.00090 185 4XY 0.00327 -0.00667 0.00074 0.00320 0.00251 186 4XZ -0.00698 0.00039 0.00116 -0.00090 -0.00266 187 4YZ 0.00678 0.00167 0.00140 -0.00068 0.00418 188 23 H 1S -0.17351 0.11410 -0.06670 0.00000 -0.04678 189 2S -0.16444 0.03153 -0.03661 0.00000 -0.02962 146 147 148 149 150 146 4XX 0.00243 147 4YY -0.00114 0.00355 148 4ZZ -0.00063 -0.00161 0.00259 149 4XY 0.00000 0.00000 0.00000 0.00351 150 4XZ 0.00114 -0.00048 -0.00084 0.00000 0.00234 151 4YZ 0.00000 0.00000 0.00000 -0.00055 0.00000 152 18 O 1S 0.00099 -0.00619 0.00363 -0.00596 0.00064 153 2S -0.00186 0.01488 -0.00781 0.01406 -0.00193 154 2PX 0.02081 -0.02163 0.00449 -0.00416 0.00781 155 2PY -0.00948 0.00439 0.00733 -0.02790 0.00848 156 2PZ 0.01054 0.00455 -0.01651 0.01233 0.01794 157 3S -0.00485 0.02277 -0.01117 0.01300 0.00159 158 3PX 0.01459 -0.01356 0.00074 0.00047 0.00694 159 3PY -0.00613 0.00339 0.00408 -0.01782 0.00507 160 3PZ 0.00906 0.00147 -0.01071 0.00718 0.01303 161 4XX 0.00018 -0.00055 0.00023 -0.00004 0.00057 162 4YY 0.00064 -0.00033 -0.00056 0.00123 -0.00071 163 4ZZ -0.00056 -0.00034 0.00092 -0.00065 -0.00050 164 4XY -0.00093 0.00082 -0.00020 0.00007 -0.00009 165 4XZ 0.00004 0.00034 -0.00049 -0.00026 0.00035 166 4YZ 0.00001 -0.00022 0.00038 -0.00008 -0.00059 167 19 H 1S 0.00020 -0.00001 -0.00167 0.00039 0.00196 168 2S 0.00292 -0.00055 -0.00353 0.00063 0.00319 169 20 H 1S 0.00020 -0.00001 -0.00167 -0.00039 0.00196 170 2S 0.00292 -0.00055 -0.00353 -0.00063 0.00319 171 21 H 1S -0.01010 -0.01175 0.01846 0.00000 -0.00996 172 2S -0.01138 -0.00629 0.01678 0.00000 -0.01243 173 22 O 1S 0.00099 -0.00619 0.00363 0.00596 0.00064 174 2S -0.00186 0.01488 -0.00781 -0.01406 -0.00193 175 2PX 0.02081 -0.02162 0.00449 0.00415 0.00781 176 2PY 0.00947 -0.00439 -0.00732 -0.02790 -0.00849 177 2PZ 0.01054 0.00455 -0.01651 -0.01233 0.01794 178 3S -0.00485 0.02278 -0.01117 -0.01300 0.00158 179 3PX 0.01459 -0.01356 0.00073 -0.00048 0.00694 180 3PY 0.00612 -0.00339 -0.00408 -0.01782 -0.00507 181 3PZ 0.00906 0.00147 -0.01071 -0.00718 0.01303 182 4XX 0.00018 -0.00055 0.00023 0.00004 0.00057 183 4YY 0.00064 -0.00033 -0.00056 -0.00123 -0.00071 184 4ZZ -0.00056 -0.00034 0.00092 0.00065 -0.00050 185 4XY 0.00093 -0.00082 0.00020 0.00007 0.00009 186 4XZ 0.00004 0.00034 -0.00049 0.00026 0.00035 187 4YZ -0.00001 0.00022 -0.00038 -0.00008 0.00059 188 23 H 1S 0.01189 -0.01320 -0.00199 0.00000 0.01732 189 2S 0.01582 -0.01024 -0.00600 0.00000 0.01983 151 152 153 154 155 151 4YZ 0.00183 152 18 O 1S 0.00162 2.07561 153 2S -0.00409 -0.17779 0.50274 154 2PX 0.01289 0.00636 -0.01604 0.61893 155 2PY 0.00888 -0.03934 0.07420 -0.05182 0.66749 156 2PZ 0.02081 -0.01473 0.02193 0.12923 0.00026 157 3S -0.00067 -0.24634 0.59439 -0.01672 0.21224 158 3PX 0.00861 0.00455 -0.01075 0.37212 -0.06147 159 3PY 0.00512 -0.02576 0.04951 -0.05982 0.42594 160 3PZ 0.01492 -0.01066 0.01633 0.13511 0.00845 161 4XX 0.00022 -0.01619 -0.00080 0.00625 0.00495 162 4YY -0.00036 -0.01262 -0.00841 0.00035 -0.04101 163 4ZZ -0.00038 -0.01277 -0.00781 -0.00492 0.00627 164 4XY -0.00046 -0.00166 0.00377 -0.02715 0.00461 165 4XZ -0.00001 0.00340 -0.00727 -0.00842 0.00122 166 4YZ -0.00096 0.00109 -0.00217 -0.00342 -0.00831 167 19 H 1S 0.00185 0.01282 -0.02691 -0.01030 -0.02050 168 2S 0.00224 0.01379 -0.02820 -0.00390 -0.02782 169 20 H 1S -0.00185 -0.00279 0.00880 0.02792 -0.02038 170 2S -0.00224 -0.00197 0.00720 0.05717 -0.04584 171 21 H 1S 0.00000 0.01123 -0.02517 -0.00187 0.01430 172 2S 0.00000 0.00725 -0.01490 -0.02333 0.03434 173 22 O 1S -0.00162 0.00077 -0.00160 0.00910 -0.01112 174 2S 0.00410 -0.00160 0.00453 -0.01812 0.02882 175 2PX -0.01290 0.00910 -0.01812 0.00970 0.00655 176 2PY 0.00888 0.01112 -0.02882 -0.00655 0.13502 177 2PZ -0.02081 -0.00310 0.00331 0.01634 0.00427 178 3S 0.00067 -0.01102 0.02309 -0.07518 0.06162 179 3PX -0.00861 0.01177 -0.02561 0.02096 0.00494 180 3PY 0.00512 0.00498 -0.01320 -0.01229 0.10394 181 3PZ -0.01492 -0.00397 0.00694 0.00998 0.00410 182 4XX -0.00022 0.00000 0.00009 0.00255 0.00359 183 4YY 0.00036 0.00031 -0.00108 -0.00115 -0.00255 184 4ZZ 0.00038 -0.00004 0.00051 0.00203 0.00079 185 4XY -0.00046 0.00099 -0.00234 0.00158 0.00246 186 4XZ 0.00001 -0.00039 0.00093 0.00036 -0.00261 187 4YZ -0.00096 -0.00056 0.00137 0.00055 -0.00314 188 23 H 1S 0.00000 0.00801 -0.02061 0.06404 0.01287 189 2S 0.00000 0.00101 -0.00592 0.12383 0.03427 156 157 158 159 160 156 2PZ 0.74389 157 3S 0.11205 0.76065 158 3PX 0.14989 -0.01071 0.23557 159 3PY 0.00056 0.13519 -0.05351 0.27449 160 3PZ 0.49385 0.07650 0.12928 0.00438 0.33563 161 4XX 0.00255 -0.00067 0.00335 0.00251 0.00185 162 4YY 0.00095 -0.01783 0.00225 -0.02579 -0.00022 163 4ZZ -0.01859 -0.01079 -0.00471 0.00415 -0.01187 164 4XY -0.00501 0.00352 -0.01606 0.00408 -0.00536 165 4XZ 0.00375 -0.00701 -0.00438 0.00132 0.00179 166 4YZ -0.02954 -0.00676 -0.00422 -0.00516 -0.01899 167 19 H 1S 0.05197 -0.06289 0.00199 -0.01344 0.04013 168 2S 0.09368 -0.05497 0.01334 -0.01586 0.06764 169 20 H 1S -0.00862 0.01004 0.02086 -0.01409 -0.00675 170 2S 0.00702 -0.00119 0.04128 -0.02975 0.00662 171 21 H 1S -0.06399 -0.05213 -0.01064 0.00658 -0.05255 172 2S -0.11730 -0.03214 -0.03142 0.02009 -0.08477 173 22 O 1S -0.00310 -0.01102 0.01177 -0.00498 -0.00397 174 2S 0.00331 0.02309 -0.02561 0.01320 0.00694 175 2PX 0.01634 -0.07516 0.02097 0.01228 0.00998 176 2PY -0.00426 -0.06162 -0.00494 0.10394 -0.00409 177 2PZ -0.01310 0.01893 0.01553 0.00625 -0.01048 178 3S 0.01892 0.06984 -0.06312 0.03225 0.01409 179 3PX 0.01553 -0.06311 0.02446 0.00922 0.01258 180 3PY -0.00624 -0.03225 -0.00922 0.07743 -0.00647 181 3PZ -0.01048 0.01410 0.01258 0.00647 -0.00570 182 4XX -0.00261 0.00030 0.00108 0.00177 -0.00182 183 4YY -0.00063 -0.00505 -0.00019 -0.00042 -0.00089 184 4ZZ -0.00135 0.00033 0.00127 0.00037 -0.00048 185 4XY 0.00155 -0.00364 0.00127 0.00200 0.00105 186 4XZ 0.00268 0.00163 0.00074 -0.00161 0.00199 187 4YZ -0.00083 0.00165 0.00027 -0.00232 -0.00130 188 23 H 1S 0.05214 -0.03253 0.05656 0.00786 0.04854 189 2S 0.13122 0.00353 0.09828 0.02122 0.10792 161 162 163 164 165 161 4XX 0.00074 162 4YY -0.00028 0.00293 163 4ZZ 0.00002 -0.00029 0.00115 164 4XY -0.00009 -0.00013 0.00025 0.00154 165 4XZ -0.00011 0.00005 -0.00011 0.00035 0.00055 166 4YZ -0.00027 0.00043 0.00061 -0.00006 -0.00011 167 19 H 1S 0.00263 0.00078 0.00410 0.00297 -0.00342 168 2S 0.00065 0.00208 0.00237 0.00282 -0.00108 169 20 H 1S -0.00019 0.00068 -0.00004 0.00091 0.00087 170 2S 0.00011 0.00223 -0.00076 -0.00028 0.00097 171 21 H 1S 0.00087 0.00015 0.00490 0.00128 -0.00491 172 2S -0.00049 -0.00212 0.00625 0.00065 -0.00411 173 22 O 1S 0.00000 0.00031 -0.00004 -0.00099 -0.00039 174 2S 0.00009 -0.00108 0.00050 0.00234 0.00093 175 2PX 0.00255 -0.00115 0.00203 -0.00158 0.00036 176 2PY -0.00359 0.00255 -0.00080 0.00246 0.00261 177 2PZ -0.00261 -0.00063 -0.00135 -0.00155 0.00268 178 3S 0.00030 -0.00505 0.00033 0.00364 0.00163 179 3PX 0.00108 -0.00019 0.00127 -0.00127 0.00074 180 3PY -0.00177 0.00042 -0.00037 0.00200 0.00161 181 3PZ -0.00182 -0.00089 -0.00048 -0.00105 0.00200 182 4XX 0.00036 -0.00033 0.00001 0.00004 -0.00003 183 4YY -0.00033 0.00088 -0.00023 0.00016 0.00012 184 4ZZ 0.00001 -0.00023 0.00030 -0.00004 -0.00017 185 4XY -0.00004 -0.00016 0.00004 -0.00043 0.00001 186 4XZ -0.00003 0.00012 -0.00017 -0.00001 0.00010 187 4YZ 0.00004 0.00005 -0.00001 0.00006 -0.00001 188 23 H 1S 0.00535 -0.00056 -0.00300 0.00115 0.00170 189 2S 0.00406 -0.00325 -0.00390 -0.00318 0.00187 166 167 168 169 170 166 4YZ 0.00156 167 19 H 1S -0.00327 0.21512 168 2S -0.00476 0.15897 0.14252 169 20 H 1S -0.00058 -0.00991 -0.00501 0.21512 170 2S -0.00074 -0.00501 -0.00014 0.15897 0.14252 171 21 H 1S -0.00201 -0.00859 -0.02133 -0.00859 -0.02133 172 2S 0.00132 -0.01971 -0.03376 -0.01971 -0.03376 173 22 O 1S 0.00056 -0.00279 -0.00197 0.01282 0.01379 174 2S -0.00137 0.00880 0.00720 -0.02691 -0.02820 175 2PX -0.00055 0.02792 0.05716 -0.01030 -0.00390 176 2PY -0.00314 0.02038 0.04583 0.02050 0.02781 177 2PZ 0.00084 -0.00862 0.00701 0.05197 0.09369 178 3S -0.00165 0.01004 -0.00119 -0.06289 -0.05497 179 3PX -0.00027 0.02086 0.04127 0.00199 0.01334 180 3PY -0.00232 0.01409 0.02974 0.01344 0.01585 181 3PZ 0.00130 -0.00675 0.00662 0.04013 0.06765 182 4XX -0.00004 -0.00019 0.00011 0.00263 0.00065 183 4YY -0.00005 0.00068 0.00223 0.00078 0.00208 184 4ZZ 0.00001 -0.00004 -0.00076 0.00410 0.00237 185 4XY 0.00006 -0.00091 0.00028 -0.00297 -0.00282 186 4XZ 0.00001 0.00087 0.00097 -0.00342 -0.00108 187 4YZ -0.00017 0.00058 0.00074 0.00327 0.00476 188 23 H 1S 0.00049 0.00315 0.01185 0.00315 0.01185 189 2S -0.00198 0.00884 0.02649 0.00884 0.02650 171 172 173 174 175 171 21 H 1S 0.22384 172 2S 0.16996 0.15550 173 22 O 1S 0.01123 0.00725 2.07561 174 2S -0.02517 -0.01490 -0.17780 0.50274 175 2PX -0.00187 -0.02333 0.00637 -0.01604 0.61893 176 2PY -0.01429 -0.03433 0.03934 -0.07420 0.05181 177 2PZ -0.06399 -0.11730 -0.01472 0.02193 0.12923 178 3S -0.05212 -0.03214 -0.24634 0.59439 -0.01674 179 3PX -0.01064 -0.03142 0.00456 -0.01075 0.37211 180 3PY -0.00658 -0.02008 0.02576 -0.04952 0.05981 181 3PZ -0.05256 -0.08478 -0.01066 0.01632 0.13511 182 4XX 0.00087 -0.00049 -0.01619 -0.00080 0.00625 183 4YY 0.00015 -0.00212 -0.01262 -0.00841 0.00035 184 4ZZ 0.00490 0.00625 -0.01277 -0.00781 -0.00492 185 4XY -0.00128 -0.00065 0.00166 -0.00377 0.02715 186 4XZ -0.00491 -0.00411 0.00340 -0.00727 -0.00842 187 4YZ 0.00201 -0.00132 -0.00109 0.00217 0.00342 188 23 H 1S -0.04284 -0.07927 0.00801 -0.02061 0.06404 189 2S -0.08780 -0.11045 0.00101 -0.00592 0.12383 176 177 178 179 180 176 2PY 0.66748 177 2PZ -0.00027 0.74390 178 3S -0.21225 0.11202 0.76066 179 3PX 0.06146 0.14989 -0.01072 0.23556 180 3PY 0.42593 -0.00057 -0.13520 0.05350 0.27449 181 3PZ -0.00846 0.49386 0.07648 0.12928 -0.00438 182 4XX -0.00495 0.00255 -0.00067 0.00335 -0.00251 183 4YY 0.04102 0.00095 -0.01783 0.00225 0.02579 184 4ZZ -0.00627 -0.01859 -0.01079 -0.00471 -0.00415 185 4XY 0.00461 0.00501 -0.00352 0.01606 0.00408 186 4XZ -0.00122 0.00376 -0.00701 -0.00438 -0.00132 187 4YZ -0.00831 0.02954 0.00676 0.00422 -0.00516 188 23 H 1S -0.01288 0.05214 -0.03253 0.05656 -0.00787 189 2S -0.03429 0.13122 0.00352 0.09828 -0.02124 181 182 183 184 185 181 3PZ 0.33564 182 4XX 0.00185 0.00074 183 4YY -0.00022 -0.00028 0.00293 184 4ZZ -0.01187 0.00002 -0.00029 0.00115 185 4XY 0.00536 0.00009 0.00013 -0.00025 0.00154 186 4XZ 0.00179 -0.00011 0.00005 -0.00011 -0.00035 187 4YZ 0.01899 0.00027 -0.00043 -0.00061 -0.00006 188 23 H 1S 0.04854 0.00535 -0.00056 -0.00300 -0.00115 189 2S 0.10792 0.00406 -0.00325 -0.00389 0.00318 186 187 188 189 186 4XZ 0.00055 187 4YZ 0.00011 0.00156 188 23 H 1S 0.00170 -0.00048 0.22403 189 2S 0.00187 0.00198 0.19016 0.21154 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 -0.00046 0.00000 -0.00253 0.00000 17 2S -0.00046 0.00935 0.00000 0.03966 0.00000 18 2PX 0.00000 0.00000 0.01518 0.00000 0.00000 19 2PY -0.00253 0.03966 0.00000 0.09673 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00346 21 3S -0.00031 0.01099 0.00000 0.03106 0.00000 22 3PX 0.00000 0.00000 0.02443 0.00000 0.00000 23 3PY -0.00167 0.02306 0.00000 0.01798 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01020 25 4XX 0.00000 -0.00038 0.00000 -0.00084 0.00000 26 4YY -0.00026 0.00361 0.00000 0.00229 0.00000 27 4ZZ 0.00000 -0.00051 0.00000 -0.00133 0.00000 28 4XY 0.00000 0.00000 0.00204 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 0.00201 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 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 49 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 50 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 51 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 52 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 53 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 54 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 63 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 66 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 67 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 68 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 69 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00290 70 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00060 -0.00008 -0.00064 -0.00230 77 2S -0.00055 0.01175 0.00109 0.00958 0.03309 78 2PX -0.00010 0.00159 0.01558 0.00035 0.00939 79 2PY -0.00069 0.00980 -0.00035 -0.00036 0.02654 80 2PZ -0.00217 0.03226 0.01190 0.02710 0.03731 81 3S -0.00073 0.01369 0.00012 0.00627 0.03439 82 3PX 0.00003 -0.00012 0.02858 -0.00001 0.00427 83 3PY -0.00067 0.00769 -0.00075 -0.00083 0.01065 84 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 85 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 86 4YY 0.00002 -0.00045 -0.00001 -0.00025 -0.00035 87 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 88 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 89 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 90 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 91 7 H 1S -0.00201 0.03151 0.01630 0.02419 0.05812 92 2S -0.00121 0.01248 0.01123 0.01527 0.03819 93 8 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 94 2S 0.00019 -0.00255 -0.00037 -0.00816 -0.00201 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00000 0.00052 0.00003 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00014 0.00018 0.00002 0.00021 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 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 104 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 112 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 113 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 114 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 115 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 124 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 127 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 128 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 129 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 130 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 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 0.00001 0.00000 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 159 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00002 0.00001 0.00001 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00004 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 179 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 180 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 181 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.23666 7 3PX 0.00000 0.14683 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 -0.00031 0.00000 -0.00167 0.00000 0.00000 17 2S 0.01099 0.00000 0.02306 0.00000 -0.00038 18 2PX 0.00000 0.02443 0.00000 0.00000 0.00000 19 2PY 0.03106 0.00000 0.01798 0.00000 -0.00084 20 2PZ 0.00000 0.00000 0.00000 0.01020 0.00000 21 3S -0.00467 0.00000 0.01031 0.00000 -0.00083 22 3PX 0.00000 0.04128 0.00000 0.00000 0.00000 23 3PY 0.01031 0.00000 0.00190 0.00000 -0.00069 24 3PZ 0.00000 0.00000 0.00000 0.01004 0.00000 25 4XX -0.00083 0.00000 -0.00069 0.00000 0.00002 26 4YY 0.00381 0.00000 0.00115 0.00000 -0.00006 27 4ZZ -0.00199 0.00000 -0.00204 0.00000 0.00001 28 4XY 0.00000 0.00130 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 0.00046 0.00000 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 0.00002 0.00001 0.00001 0.00001 0.00000 47 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 48 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 49 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 50 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 51 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 52 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 53 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 54 3PZ -0.00311 -0.00033 -0.00223 -0.00045 0.00002 55 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 56 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 57 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 58 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 59 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 61 5 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 62 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 63 2PX 0.00037 0.00033 -0.00004 0.00003 0.00000 64 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 65 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 66 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 67 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 68 3PY 0.00007 0.00010 0.00107 0.00000 0.00000 69 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 70 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 71 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 72 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 73 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 74 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 75 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 76 6 C 1S 0.00057 0.00019 -0.00040 -0.00061 0.00001 77 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 78 2PX 0.00072 0.02581 -0.00025 0.00447 0.00004 79 2PY 0.01080 -0.00098 0.00130 0.00875 -0.00019 80 2PZ 0.01332 0.00536 0.01498 0.00074 -0.00062 81 3S -0.01157 -0.00246 0.00206 0.01607 -0.00084 82 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 83 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 84 3PZ 0.00209 0.00505 0.01102 0.00065 -0.00018 85 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 86 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 87 4ZZ 0.00253 0.00048 0.00106 -0.00076 -0.00002 88 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 89 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 90 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 91 7 H 1S 0.04222 0.00788 0.00986 0.02404 -0.00036 92 2S 0.03626 0.00865 0.00742 0.01857 0.00032 93 8 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 94 2S -0.01645 -0.00017 -0.01333 0.00033 0.00010 95 9 H 1S 0.00014 0.00000 0.00034 -0.00001 0.00000 96 2S 0.00203 -0.00002 0.00381 0.00011 0.00000 97 10 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 98 2S 0.00032 0.00000 0.00031 0.00023 0.00000 99 11 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 100 2S 0.00085 0.00129 0.00040 0.00019 0.00000 101 12 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 102 2S -0.01341 0.00028 -0.00224 -0.00516 0.00000 103 13 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 104 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 105 14 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 106 2S 0.00062 0.00138 -0.00036 -0.00003 0.00000 107 15 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 108 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 109 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 110 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 111 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 112 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 113 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 114 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 115 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 116 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 117 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 119 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 120 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 121 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 123 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 124 2PX 0.00036 -0.00051 0.00000 -0.00031 0.00000 125 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 126 2PZ 0.00011 -0.00063 0.00000 -0.00068 0.00000 127 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 128 3PX 0.00174 -0.00124 0.00000 -0.00234 0.00000 129 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 130 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 131 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 132 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 133 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 134 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 135 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 136 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 139 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 141 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00041 -0.00002 -0.00009 0.00000 143 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 144 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 145 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 146 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00001 0.00001 0.00000 0.00001 0.00000 154 2PX 0.00001 0.00006 0.00001 0.00003 0.00000 155 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 156 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 157 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 158 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 159 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 160 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 161 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 168 2S 0.00014 0.00029 0.00024 0.00042 0.00000 169 20 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 170 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 171 21 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 172 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S -0.00004 -0.00008 0.00000 -0.00004 0.00000 175 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 176 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 177 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 178 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 179 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 180 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 181 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 182 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 183 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 184 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 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 -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00361 -0.00051 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00204 0.00000 0.00000 19 2PY 0.00229 -0.00133 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00201 21 3S 0.00381 -0.00199 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00130 0.00000 0.00000 23 3PY 0.00115 -0.00204 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00046 25 4XX -0.00006 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00007 -0.00001 0.00000 0.00000 0.00000 27 4ZZ -0.00001 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00009 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 -0.00025 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 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 52 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 53 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 54 3PZ -0.00001 -0.00001 0.00000 0.00001 -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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00001 0.00000 0.00001 0.00000 63 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 66 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 67 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 68 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 69 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 77 2S -0.00045 0.00170 0.00010 0.00017 0.00145 78 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 79 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 80 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 81 3S -0.00065 0.00204 0.00005 0.00000 0.00074 82 3PX -0.00014 0.00051 0.00034 0.00069 0.00003 83 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 84 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 85 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 86 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 87 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 88 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 89 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 90 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 91 7 H 1S -0.00081 0.00181 0.00071 0.00150 0.00268 92 2S -0.00130 0.00240 0.00016 0.00026 0.00061 93 8 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 94 2S -0.00017 0.00015 0.00009 0.00000 0.00029 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 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 -0.00002 0.00000 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00000 0.00000 0.00000 0.00001 113 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 114 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 0.00001 0.00000 0.00001 0.00000 127 3S -0.00002 0.00006 0.00000 0.00002 0.00000 128 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 129 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 130 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05282 17 2S -0.01370 0.32755 18 2PX 0.00000 0.00000 0.35515 19 2PY 0.00000 0.00000 0.00000 0.41443 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.40212 21 3S -0.02917 0.19680 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.12497 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07776 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.06992 25 4XX -0.00098 -0.00926 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00220 0.00000 0.00000 0.00000 27 4ZZ -0.00141 -0.00118 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 -0.00060 -0.00008 -0.00064 -0.00230 32 2S -0.00055 0.01175 0.00109 0.00958 0.03310 33 2PX -0.00010 0.00159 0.01558 0.00035 0.00939 34 2PY -0.00069 0.00979 -0.00035 -0.00036 0.02653 35 2PZ -0.00217 0.03226 0.01190 0.02709 0.03733 36 3S -0.00073 0.01369 0.00012 0.00626 0.03439 37 3PX 0.00003 -0.00012 0.02858 -0.00001 0.00427 38 3PY -0.00067 0.00768 -0.00075 -0.00083 0.01065 39 3PZ -0.00155 0.01812 0.00651 0.01220 0.00354 40 4XX 0.00001 -0.00053 0.00006 -0.00020 -0.00091 41 4YY 0.00002 -0.00046 -0.00001 -0.00025 -0.00035 42 4ZZ -0.00014 0.00189 0.00050 0.00199 -0.00092 43 4XY -0.00001 0.00009 0.00029 0.00000 0.00026 44 4XZ -0.00002 0.00017 0.00134 0.00012 0.00019 45 4YZ -0.00013 0.00141 0.00027 -0.00004 0.00193 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00006 0.00000 -0.00014 48 2PX 0.00000 -0.00006 0.00004 0.00000 -0.00026 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00018 -0.00015 0.00000 -0.00039 51 3S 0.00004 -0.00071 -0.00205 0.00001 -0.00159 52 3PX 0.00004 -0.00086 0.00011 0.00003 -0.00298 53 3PY 0.00000 0.00003 0.00004 0.00013 0.00007 54 3PZ 0.00012 -0.00201 -0.00037 -0.00001 -0.00291 55 4XX 0.00000 0.00000 -0.00001 0.00000 0.00001 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00002 0.00006 0.00000 0.00004 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00003 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 64 2PY 0.00000 0.00000 0.00001 0.00001 -0.00002 65 2PZ 0.00000 -0.00001 -0.00001 -0.00002 0.00000 66 3S 0.00002 -0.00042 -0.00012 -0.00033 -0.00038 67 3PX 0.00001 -0.00016 -0.00001 -0.00039 0.00004 68 3PY 0.00001 -0.00023 0.00041 0.00008 -0.00088 69 3PZ 0.00001 -0.00023 0.00000 -0.00044 -0.00001 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00002 -0.00030 -0.00005 78 2PX 0.00000 0.00000 -0.00004 0.00000 -0.00001 79 2PY 0.00000 -0.00024 -0.00002 -0.00052 -0.00005 80 2PZ 0.00000 -0.00016 -0.00002 -0.00036 -0.00005 81 3S 0.00005 -0.00115 -0.00026 -0.00152 -0.00166 82 3PX 0.00000 -0.00001 -0.00115 -0.00027 -0.00016 83 3PY 0.00007 -0.00138 -0.00035 0.00058 -0.00015 84 3PZ 0.00007 -0.00140 -0.00034 -0.00242 -0.00021 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00003 0.00000 0.00014 0.00001 87 4ZZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 88 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00000 0.00009 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00001 -0.00057 -0.00013 92 2S 0.00019 -0.00255 -0.00037 -0.00815 -0.00201 93 8 H 1S -0.00201 0.03151 0.01629 0.02421 0.05811 94 2S -0.00121 0.01248 0.01123 0.01528 0.03818 95 9 H 1S 0.00000 -0.00019 0.00000 -0.00048 -0.00026 96 2S 0.00019 -0.00279 0.00008 -0.00661 -0.00295 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00014 0.00018 0.00002 0.00021 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 0.00010 -0.00001 -0.00002 105 14 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 106 2S 0.00000 -0.00004 -0.00059 0.00000 0.00019 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 109 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00004 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 -0.00002 0.00000 0.00000 -0.00004 112 3S 0.00001 0.00008 -0.00033 0.00000 0.00017 113 3PX 0.00002 -0.00065 -0.00035 0.00000 -0.00157 114 3PY 0.00000 0.00000 0.00000 -0.00004 -0.00001 115 3PZ 0.00004 -0.00032 -0.00045 0.00000 0.00009 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 121 4YZ 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 -0.00001 0.00000 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 127 3S 0.00000 -0.00015 -0.00017 -0.00004 -0.00040 128 3PX 0.00000 0.00000 -0.00053 -0.00022 -0.00056 129 3PY 0.00000 -0.00010 0.00037 0.00003 0.00002 130 3PZ 0.00000 -0.00019 -0.00080 -0.00008 -0.00077 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 -0.00002 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00023 0.00000 0.00003 144 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 145 3PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 -0.00002 -0.00015 0.00000 -0.00006 158 3PX 0.00000 -0.00007 -0.00015 0.00000 -0.00006 159 3PY 0.00000 0.00000 -0.00004 0.00000 -0.00001 160 3PZ 0.00000 -0.00004 -0.00005 -0.00001 0.00002 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00003 -0.00008 0.00000 0.00002 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00002 0.00001 0.00001 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00004 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00003 0.00000 0.00001 180 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00003 0.00000 0.00001 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.23665 22 3PX 0.00000 0.14683 23 3PY 0.00000 0.00000 0.05806 24 3PZ 0.00000 0.00000 0.00000 0.05818 25 4XX -0.00540 0.00000 0.00000 0.00000 0.00073 26 4YY -0.00176 0.00000 0.00000 0.00000 0.00004 27 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00008 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 0.00057 0.00019 -0.00040 -0.00061 0.00001 32 2S 0.00549 -0.00087 0.00362 0.01568 -0.00036 33 2PX 0.00072 0.02581 -0.00025 0.00447 0.00004 34 2PY 0.01080 -0.00098 0.00131 0.00875 -0.00019 35 2PZ 0.01333 0.00536 0.01498 0.00074 -0.00062 36 3S -0.01156 -0.00246 0.00205 0.01608 -0.00084 37 3PX 0.00067 0.04680 -0.00111 0.00457 -0.00011 38 3PY 0.00480 -0.00117 0.00079 0.00413 -0.00027 39 3PZ 0.00209 0.00505 0.01101 0.00065 -0.00018 40 4XX -0.00040 -0.00018 -0.00046 -0.00021 0.00002 41 4YY -0.00145 -0.00002 -0.00041 -0.00028 0.00000 42 4ZZ 0.00253 0.00048 0.00106 -0.00076 -0.00002 43 4XY 0.00003 0.00021 -0.00001 0.00004 0.00000 44 4XZ 0.00004 0.00103 -0.00002 0.00003 0.00000 45 4YZ 0.00037 0.00002 -0.00001 0.00005 -0.00004 46 4 C 1S 0.00002 0.00006 0.00000 0.00005 0.00000 47 2S -0.00047 -0.00094 -0.00004 -0.00079 0.00000 48 2PX 0.00037 0.00032 -0.00004 0.00003 0.00000 49 2PY -0.00002 0.00002 0.00017 -0.00003 0.00000 50 2PZ -0.00145 -0.00148 -0.00017 -0.00112 0.00001 51 3S 0.00196 -0.00722 -0.00019 0.00182 0.00005 52 3PX 0.00125 -0.00006 -0.00003 -0.00127 0.00003 53 3PY 0.00007 0.00009 0.00106 0.00000 0.00000 54 3PZ -0.00137 -0.00113 -0.00025 -0.00149 0.00014 55 4XX -0.00003 -0.00023 -0.00001 0.00016 0.00000 56 4YY -0.00007 0.00001 0.00000 -0.00010 0.00000 57 4ZZ 0.00018 0.00049 0.00002 0.00005 0.00000 58 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 4XZ 0.00002 0.00000 0.00000 0.00008 0.00000 60 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 61 5 C 1S 0.00002 0.00001 0.00001 0.00001 0.00000 62 2S -0.00038 -0.00025 -0.00015 -0.00013 0.00000 63 2PX -0.00067 -0.00013 -0.00021 -0.00049 0.00000 64 2PY -0.00021 0.00023 0.00009 -0.00050 0.00000 65 2PZ -0.00082 -0.00037 -0.00079 -0.00015 0.00000 66 3S -0.00472 -0.00083 -0.00209 -0.00150 0.00002 67 3PX -0.00270 0.00002 -0.00093 -0.00135 0.00000 68 3PY -0.00122 0.00171 -0.00003 -0.00233 0.00000 69 3PZ -0.00310 -0.00033 -0.00223 -0.00045 0.00002 70 4XX -0.00001 0.00002 -0.00005 -0.00002 0.00000 71 4YY 0.00001 -0.00003 0.00003 -0.00001 0.00000 72 4ZZ 0.00003 -0.00001 0.00002 0.00006 0.00000 73 4XY 0.00001 0.00000 0.00000 0.00002 0.00000 74 4XZ -0.00003 0.00000 -0.00002 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00002 -0.00001 0.00000 76 6 C 1S -0.00001 0.00000 0.00010 -0.00009 0.00000 77 2S -0.00108 -0.00010 -0.00226 0.00033 0.00000 78 2PX -0.00004 -0.00102 -0.00028 -0.00020 0.00000 79 2PY -0.00519 0.00000 -0.00558 0.00027 0.00000 80 2PZ 0.00148 0.00004 0.00101 0.00049 0.00000 81 3S -0.00123 -0.00022 -0.00338 -0.00104 0.00003 82 3PX -0.00079 -0.00495 -0.00136 -0.00076 0.00001 83 3PY -0.00657 -0.00034 -0.00205 0.00089 0.00000 84 3PZ 0.00329 -0.00048 0.00197 -0.00058 -0.00001 85 4XX -0.00007 0.00000 -0.00017 -0.00006 0.00000 86 4YY 0.00044 -0.00002 0.00071 0.00000 0.00000 87 4ZZ -0.00011 0.00003 -0.00016 0.00000 0.00000 88 4XY 0.00000 0.00005 0.00000 0.00001 0.00000 89 4XZ -0.00002 0.00010 -0.00001 0.00000 0.00000 90 4YZ 0.00013 0.00000 0.00016 0.00002 0.00000 91 7 H 1S -0.00414 0.00006 -0.00333 0.00017 0.00000 92 2S -0.01645 -0.00018 -0.01333 0.00033 0.00010 93 8 H 1S 0.04222 0.00788 0.00986 0.02403 -0.00036 94 2S 0.03626 0.00864 0.00743 0.01857 0.00032 95 9 H 1S -0.00397 0.00003 -0.00003 -0.00158 0.00000 96 2S -0.01341 0.00029 -0.00224 -0.00516 0.00000 97 10 H 1S 0.00005 0.00007 0.00004 0.00006 0.00000 98 2S 0.00085 0.00129 0.00040 0.00019 0.00000 99 11 H 1S 0.00001 0.00000 0.00002 0.00001 0.00000 100 2S 0.00032 0.00000 0.00031 0.00023 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 H 1S 0.00004 0.00007 -0.00002 0.00004 0.00000 104 2S 0.00062 0.00139 -0.00036 -0.00003 0.00000 105 14 H 1S -0.00013 -0.00083 -0.00001 0.00002 0.00000 106 2S -0.00096 -0.00342 -0.00002 0.00000 0.00000 107 15 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 108 2S -0.00003 -0.00059 0.00000 -0.00062 0.00000 109 2PX 0.00036 -0.00051 0.00000 -0.00030 0.00000 110 2PY 0.00000 0.00000 0.00009 0.00000 0.00000 111 2PZ 0.00011 -0.00063 0.00000 -0.00068 0.00000 112 3S 0.00047 -0.00225 0.00000 -0.00168 0.00000 113 3PX 0.00174 -0.00125 0.00000 -0.00234 0.00000 114 3PY 0.00000 0.00000 -0.00020 -0.00001 0.00000 115 3PZ 0.00066 -0.00274 0.00000 -0.00122 -0.00003 116 4XX -0.00004 0.00004 0.00000 -0.00005 0.00000 117 4YY 0.00000 -0.00003 0.00000 -0.00002 0.00000 118 4ZZ 0.00007 0.00008 0.00000 0.00014 0.00000 119 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 120 4XZ 0.00000 0.00008 0.00000 0.00008 0.00000 121 4YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 123 2S 0.00000 -0.00029 -0.00003 -0.00023 0.00000 124 2PX -0.00010 -0.00048 -0.00026 -0.00085 0.00000 125 2PY -0.00008 0.00014 0.00002 0.00001 0.00000 126 2PZ -0.00011 -0.00123 -0.00039 -0.00083 0.00000 127 3S -0.00079 -0.00156 -0.00041 -0.00183 0.00000 128 3PX -0.00069 -0.00149 -0.00149 -0.00410 0.00000 129 3PY -0.00029 0.00180 0.00008 0.00119 0.00000 130 3PZ -0.00045 -0.00467 -0.00119 -0.00299 0.00001 131 4XX 0.00000 -0.00001 -0.00001 -0.00002 0.00000 132 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 4ZZ 0.00001 0.00006 0.00001 0.00005 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 -0.00001 -0.00001 0.00000 136 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00007 0.00000 -0.00001 0.00000 139 2PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 141 2PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00040 -0.00002 -0.00009 0.00000 143 3PX 0.00002 0.00174 0.00003 0.00031 0.00000 144 3PY 0.00003 0.00024 -0.00004 0.00005 0.00000 145 3PZ 0.00003 0.00002 0.00002 0.00000 0.00000 146 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00004 -0.00008 0.00000 -0.00004 0.00000 154 2PX 0.00012 -0.00009 -0.00001 0.00012 0.00000 155 2PY 0.00000 -0.00003 -0.00001 -0.00001 0.00000 156 2PZ 0.00015 0.00008 -0.00003 0.00015 0.00000 157 3S -0.00009 -0.00141 -0.00002 -0.00037 0.00000 158 3PX 0.00108 0.00001 -0.00010 0.00099 0.00001 159 3PY 0.00004 -0.00038 -0.00009 -0.00013 0.00000 160 3PZ 0.00114 0.00081 -0.00014 0.00065 0.00001 161 4XX 0.00001 0.00001 0.00000 0.00001 0.00000 162 4YY 0.00000 -0.00003 0.00000 -0.00001 0.00000 163 4ZZ -0.00001 0.00003 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00004 0.00000 0.00001 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00002 -0.00006 0.00002 -0.00001 0.00000 168 2S 0.00022 -0.00057 0.00020 -0.00001 0.00000 169 20 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 170 2S 0.00014 0.00029 0.00024 0.00042 0.00000 171 21 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00000 172 2S -0.00022 0.00020 -0.00001 -0.00002 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00001 0.00001 0.00000 0.00001 0.00000 175 2PX 0.00001 0.00006 0.00001 0.00003 0.00000 176 2PY 0.00001 0.00000 0.00000 0.00001 0.00000 177 2PZ -0.00001 0.00007 0.00000 0.00001 0.00000 178 3S 0.00005 -0.00003 0.00000 0.00006 0.00000 179 3PX 0.00010 0.00072 0.00007 0.00039 0.00000 180 3PY 0.00009 -0.00021 -0.00002 0.00002 0.00000 181 3PZ -0.00006 0.00090 0.00005 0.00010 0.00000 182 4XX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00011 0.00000 0.00004 0.00000 26 27 28 29 30 26 4YY 0.00115 27 4ZZ -0.00018 0.00110 28 4XY 0.00000 0.00000 0.00077 29 4XZ 0.00000 0.00000 0.00000 0.00070 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00134 31 3 C 1S 0.00001 -0.00012 -0.00001 -0.00002 -0.00014 32 2S -0.00045 0.00170 0.00010 0.00017 0.00145 33 2PX -0.00002 0.00041 0.00035 0.00110 0.00028 34 2PY -0.00027 0.00200 0.00000 0.00021 -0.00003 35 2PZ -0.00070 -0.00077 0.00029 0.00021 0.00176 36 3S -0.00065 0.00205 0.00005 0.00000 0.00074 37 3PX -0.00014 0.00052 0.00034 0.00069 0.00003 38 3PY -0.00054 0.00077 0.00000 0.00000 0.00005 39 3PZ -0.00048 -0.00084 0.00009 0.00003 0.00010 40 4XX -0.00001 0.00001 0.00000 0.00000 -0.00005 41 4YY 0.00004 -0.00017 0.00000 -0.00004 0.00001 42 4ZZ -0.00012 0.00004 -0.00002 0.00005 -0.00009 43 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 44 4XZ -0.00002 0.00004 -0.00001 -0.00003 -0.00003 45 4YZ 0.00000 -0.00008 0.00000 -0.00001 0.00002 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00001 0.00000 48 2PX 0.00000 0.00003 0.00000 0.00002 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00004 0.00000 0.00004 0.00000 51 3S -0.00012 0.00023 0.00000 0.00007 -0.00001 52 3PX -0.00008 0.00023 0.00000 0.00004 -0.00001 53 3PY 0.00000 0.00000 0.00002 0.00000 -0.00006 54 3PZ -0.00013 0.00024 0.00000 0.00016 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00003 -0.00003 -0.00002 0.00001 -0.00001 67 3PX -0.00001 0.00002 0.00000 0.00000 -0.00002 68 3PY 0.00004 -0.00006 0.00000 -0.00001 0.00000 69 3PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00002 0.00000 0.00000 0.00000 0.00003 78 2PX 0.00001 0.00000 0.00002 0.00000 0.00001 79 2PY 0.00006 0.00000 0.00000 0.00000 0.00008 80 2PZ 0.00003 0.00001 0.00001 0.00000 0.00003 81 3S 0.00012 0.00003 0.00000 0.00000 0.00022 82 3PX 0.00003 -0.00003 0.00022 -0.00004 0.00003 83 3PY 0.00017 0.00007 -0.00001 0.00000 0.00021 84 3PZ -0.00003 0.00011 0.00006 0.00000 0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00002 0.00000 0.00002 0.00000 0.00006 92 2S -0.00017 0.00015 0.00009 0.00000 0.00029 93 8 H 1S -0.00080 0.00180 0.00071 0.00150 0.00268 94 2S -0.00129 0.00240 0.00016 0.00026 0.00061 95 9 H 1S 0.00009 -0.00003 0.00000 0.00000 0.00006 96 2S 0.00098 -0.00058 0.00001 -0.00001 0.00016 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00002 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 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 0.00000 0.00000 0.00000 -0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00001 -0.00003 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 112 3S -0.00002 0.00006 0.00000 0.00002 0.00000 113 3PX -0.00003 0.00014 0.00000 0.00005 0.00000 114 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 115 3PZ -0.00004 0.00012 0.00000 0.00010 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 0.00000 0.00000 0.00001 128 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 129 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00001 0.00000 0.00001 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 -0.00002 0.00000 -0.00001 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05493 32 2S -0.01338 0.32600 33 2PX 0.00000 0.00000 0.34894 34 2PY 0.00000 0.00000 0.00000 0.41139 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.39186 36 3S -0.03626 0.23449 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11485 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 0.09432 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 -0.00020 -0.00048 -0.00024 -0.00060 47 2S -0.00020 0.00515 0.00949 0.00422 0.01170 48 2PX -0.00064 0.01323 0.00744 0.00782 0.02213 49 2PY -0.00019 0.00380 0.00741 -0.00061 0.00603 50 2PZ -0.00062 0.01221 0.01972 0.00705 0.00977 51 3S 0.00028 0.00640 0.00840 0.01039 0.01788 52 3PX -0.00067 0.01063 -0.00107 0.00493 0.01371 53 3PY -0.00022 0.00175 0.00522 0.00043 0.00356 54 3PZ -0.00061 0.01010 0.01285 0.00454 -0.00081 55 4XX -0.00001 0.00020 -0.00058 0.00027 0.00081 56 4YY 0.00000 -0.00018 -0.00015 -0.00006 -0.00016 57 4ZZ -0.00001 0.00030 0.00102 0.00026 -0.00066 58 4XY -0.00003 0.00045 0.00019 0.00003 0.00068 59 4XZ -0.00007 0.00120 0.00038 0.00065 0.00044 60 4YZ -0.00003 0.00043 0.00066 0.00003 0.00025 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 -0.00002 -0.00008 -0.00002 63 2PX 0.00000 -0.00002 -0.00001 -0.00002 -0.00002 64 2PY 0.00000 -0.00011 -0.00011 -0.00027 -0.00006 65 2PZ 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 66 3S -0.00001 -0.00053 0.00050 -0.00351 -0.00080 67 3PX 0.00000 -0.00025 0.00003 -0.00004 -0.00033 68 3PY 0.00009 -0.00230 -0.00058 -0.00465 -0.00096 69 3PZ 0.00000 -0.00033 0.00000 -0.00042 0.00003 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00001 0.00000 0.00002 0.00001 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00001 0.00001 0.00001 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00006 0.00000 78 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 79 2PY 0.00000 -0.00006 0.00000 -0.00019 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 81 3S 0.00007 -0.00081 0.00000 -0.00121 0.00000 82 3PX 0.00000 0.00000 -0.00162 0.00000 0.00000 83 3PY 0.00010 -0.00055 0.00000 0.00107 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00080 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 93 8 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 94 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 95 9 H 1S -0.00197 0.03104 0.00168 0.09662 0.00025 96 2S -0.00122 0.01265 0.00087 0.06397 -0.00001 97 10 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 98 2S 0.00018 -0.00271 0.00023 -0.00011 -0.00843 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00008 0.00000 0.00015 0.00016 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00021 0.00010 0.00001 105 14 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 106 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 109 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 110 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 111 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 112 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 113 3PX 0.00009 -0.00126 0.00615 0.00128 0.00484 114 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 115 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 116 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 117 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 119 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 120 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 121 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 128 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 129 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 130 3PZ 0.00000 -0.00029 -0.00014 -0.00013 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 158 3PX 0.00000 -0.00021 -0.00135 -0.00002 -0.00006 159 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 160 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 161 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 168 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00193 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00001 0.00005 0.00004 0.00005 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00001 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.29353 37 3PX 0.00000 0.13460 38 3PY 0.00000 0.00000 0.05434 39 3PZ 0.00000 0.00000 0.00000 0.08688 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 0.00005 -0.00012 -0.00021 -0.00038 -0.00002 47 2S 0.00398 0.00415 0.00297 0.00604 0.00042 48 2PX 0.01011 -0.00083 0.00089 0.01048 -0.00061 49 2PY 0.00280 0.00414 -0.00148 0.00316 0.00035 50 2PZ 0.01394 0.00690 0.00184 -0.00057 0.00093 51 3S -0.00481 -0.00513 0.00621 0.01217 0.00131 52 3PX 0.00531 -0.00501 0.00062 0.00828 -0.00060 53 3PY 0.00027 0.00442 -0.00069 0.00153 0.00037 54 3PZ 0.00943 0.00661 0.00083 -0.00343 0.00097 55 4XX 0.00088 -0.00132 0.00038 0.00124 0.00005 56 4YY -0.00033 0.00012 -0.00035 -0.00033 -0.00003 57 4ZZ -0.00007 0.00173 0.00001 -0.00087 -0.00010 58 4XY 0.00016 0.00000 0.00014 0.00018 -0.00003 59 4XZ 0.00057 0.00000 0.00006 0.00000 -0.00003 60 4YZ 0.00022 0.00015 0.00011 0.00000 0.00001 61 5 C 1S 0.00000 0.00000 0.00004 0.00003 0.00000 62 2S -0.00029 -0.00019 -0.00092 -0.00047 0.00000 63 2PX 0.00030 0.00004 0.00112 -0.00065 0.00000 64 2PY -0.00115 -0.00077 -0.00110 -0.00094 -0.00001 65 2PZ -0.00023 -0.00017 0.00066 0.00002 0.00000 66 3S -0.00131 0.00307 -0.00621 -0.00390 -0.00008 67 3PX 0.00110 0.00056 0.00211 -0.00137 0.00000 68 3PY -0.00452 -0.00001 -0.00398 -0.00237 -0.00013 69 3PZ -0.00082 -0.00001 0.00054 0.00059 -0.00002 70 4XX -0.00002 0.00010 0.00000 -0.00002 0.00000 71 4YY 0.00002 -0.00010 0.00004 0.00003 0.00000 72 4ZZ 0.00001 -0.00008 -0.00003 0.00003 0.00000 73 4XY 0.00001 0.00000 0.00000 0.00006 0.00000 74 4XZ -0.00001 0.00000 0.00002 0.00000 0.00000 75 4YZ 0.00004 0.00005 0.00002 0.00000 0.00000 76 6 C 1S 0.00007 0.00000 0.00010 0.00000 0.00000 77 2S -0.00081 0.00000 -0.00055 0.00000 0.00000 78 2PX 0.00000 -0.00162 0.00000 0.00000 0.00000 79 2PY -0.00121 0.00000 0.00107 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00080 0.00000 81 3S -0.00459 0.00000 -0.00156 0.00000 0.00000 82 3PX 0.00000 -0.00866 0.00000 0.00000 0.00000 83 3PY -0.00156 0.00000 0.00452 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 -0.00320 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00002 0.00000 -0.00003 0.00000 0.00000 87 4ZZ 0.00001 0.00000 -0.00002 0.00000 0.00000 88 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00000 91 7 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 92 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 93 8 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 94 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 95 9 H 1S 0.04211 0.00016 0.04339 0.00025 -0.00100 96 2S 0.02299 -0.00061 0.04211 -0.00009 -0.00193 97 10 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 98 2S -0.01128 0.00426 -0.00019 -0.01435 -0.00034 99 11 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 100 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 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 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 104 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 105 14 H 1S -0.00075 -0.00496 0.00025 -0.00047 0.00013 106 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 107 15 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 108 2S -0.00009 0.00035 0.00032 0.00091 0.00002 109 2PX -0.00022 0.00670 0.00053 0.00442 0.00007 110 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 111 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 112 3S 0.00281 0.00467 0.00185 0.00257 0.00019 113 3PX -0.00116 0.00921 0.00120 0.00994 0.00050 114 3PY -0.00008 0.00428 -0.00005 0.00215 0.00013 115 3PZ 0.00366 0.01035 0.00121 -0.00078 0.00022 116 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 117 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 118 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 119 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 120 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 121 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 124 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 125 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 126 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 127 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 128 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 129 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 130 3PZ -0.00048 -0.00121 0.00043 -0.00008 0.00003 131 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 132 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 134 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 135 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 136 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00004 0.00019 0.00001 0.00001 0.00000 143 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 144 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 145 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 146 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 154 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 155 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 156 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 157 3S -0.00081 -0.00262 0.00001 -0.00035 0.00000 158 3PX -0.00356 -0.00698 -0.00044 -0.00073 0.00005 159 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 160 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 161 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 162 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 163 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 165 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 168 2S -0.00506 -0.00782 -0.00004 -0.00547 -0.00003 169 20 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 170 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00009 0.00008 0.00007 -0.00002 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 175 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 176 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 179 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 180 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 181 3PZ 0.00000 0.00001 -0.00002 0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -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 0.00001 -0.00001 -0.00002 -0.00007 -0.00003 47 2S -0.00028 0.00022 0.00037 0.00108 0.00043 48 2PX -0.00027 0.00060 0.00020 0.00032 0.00066 49 2PY -0.00006 0.00030 0.00004 0.00059 0.00003 50 2PZ -0.00028 -0.00077 0.00058 0.00036 0.00028 51 3S -0.00156 0.00064 0.00018 0.00073 0.00027 52 3PX -0.00062 0.00079 0.00000 0.00000 0.00019 53 3PY -0.00036 0.00021 0.00009 0.00017 0.00005 54 3PZ -0.00059 -0.00074 0.00014 0.00000 0.00000 55 4XX -0.00002 -0.00009 -0.00001 0.00003 -0.00001 56 4YY 0.00002 -0.00003 0.00000 -0.00004 0.00000 57 4ZZ -0.00004 0.00005 -0.00002 -0.00001 -0.00002 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00002 -0.00002 0.00002 0.00002 0.00001 60 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00005 -0.00001 0.00003 -0.00001 0.00002 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00027 -0.00006 0.00004 0.00000 0.00003 67 3PX -0.00001 -0.00001 0.00000 0.00000 0.00001 68 3PY 0.00057 -0.00012 0.00010 -0.00006 0.00008 69 3PZ 0.00002 0.00001 0.00001 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00002 0.00001 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00001 0.00000 0.00000 83 3PY -0.00003 -0.00002 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00001 0.00000 0.00000 0.00000 93 8 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 94 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 95 9 H 1S 0.00749 -0.00121 0.00018 0.00001 0.00002 96 2S 0.00678 -0.00286 0.00003 0.00000 0.00001 97 10 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 98 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00002 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 105 14 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 106 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00003 0.00000 109 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 110 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 111 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 112 3S -0.00014 0.00001 0.00002 0.00013 0.00000 113 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 114 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 115 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 0.00002 0.00000 0.00000 0.00001 0.00001 128 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 129 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 130 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 168 2S -0.00001 0.00011 0.00000 0.00006 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05093 47 2S -0.01173 0.30675 48 2PX 0.00000 0.00000 0.39946 49 2PY 0.00000 0.00000 0.00000 0.38112 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.40014 51 3S -0.03468 0.23024 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10533 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09958 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10200 55 4XX -0.00136 -0.00117 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00373 0.00000 0.00000 0.00000 57 4ZZ -0.00136 -0.00110 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 62 2S -0.00013 0.00357 0.00000 0.02296 0.00000 63 2PX 0.00000 0.00000 0.00014 0.00000 0.00000 64 2PY -0.00105 0.02296 0.00000 0.07743 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00027 66 3S 0.00033 0.00284 0.00000 0.02725 0.00000 67 3PX 0.00000 0.00000 -0.00173 0.00000 0.00000 68 3PY -0.00140 0.02012 0.00000 0.03429 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00119 70 4XX 0.00000 -0.00023 0.00000 -0.00059 0.00000 71 4YY -0.00011 0.00253 0.00000 0.00253 0.00000 72 4ZZ 0.00000 -0.00022 0.00000 -0.00062 0.00000 73 4XY 0.00000 0.00000 0.00109 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00109 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 -0.00002 -0.00011 -0.00002 78 2PX 0.00000 -0.00002 -0.00001 -0.00011 -0.00002 79 2PY 0.00000 -0.00008 -0.00002 -0.00027 -0.00003 80 2PZ 0.00000 -0.00002 -0.00002 -0.00006 -0.00001 81 3S 0.00000 -0.00029 0.00030 -0.00115 -0.00023 82 3PX 0.00000 -0.00019 0.00004 -0.00077 -0.00017 83 3PY 0.00004 -0.00092 0.00112 -0.00109 0.00066 84 3PZ 0.00003 -0.00047 -0.00065 -0.00094 0.00002 85 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00003 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00002 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00008 0.00013 0.00001 0.00027 95 9 H 1S 0.00000 -0.00012 -0.00015 -0.00028 -0.00011 96 2S 0.00017 -0.00247 -0.00265 -0.00439 -0.00188 97 10 H 1S -0.00165 0.02726 0.00378 0.01177 0.08206 98 2S -0.00051 0.00973 0.00277 0.00735 0.05512 99 11 H 1S 0.00000 -0.00011 -0.00001 -0.00033 -0.00012 100 2S 0.00010 -0.00181 -0.00019 -0.00489 -0.00166 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00006 0.00002 0.00028 0.00002 103 13 H 1S 0.00000 -0.00013 -0.00014 -0.00033 -0.00001 104 2S 0.00014 -0.00231 -0.00158 -0.00474 -0.00024 105 14 H 1S -0.00167 0.02754 0.08144 0.00963 0.00594 106 2S -0.00062 0.01033 0.05295 0.00575 0.00400 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 109 2PX 0.00000 -0.00003 -0.00009 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 -0.00039 -0.00103 0.00001 -0.00005 113 3PX 0.00004 -0.00054 -0.00093 -0.00001 -0.00001 114 3PY 0.00000 -0.00001 -0.00007 -0.00005 0.00000 115 3PZ 0.00000 -0.00004 -0.00012 0.00000 -0.00009 116 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 -0.00001 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00006 -0.00015 -0.00004 0.00001 128 3PX 0.00001 -0.00045 -0.00059 -0.00004 0.00003 129 3PY 0.00000 0.00004 -0.00006 -0.00001 0.00000 130 3PZ 0.00000 -0.00001 -0.00002 -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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 168 2S 0.00000 -0.00012 0.00003 0.00002 0.00017 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00002 0.00000 -0.00001 -0.00002 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.31662 52 3PX 0.00000 0.08894 53 3PY 0.00000 0.00000 0.08740 54 3PZ 0.00000 0.00000 0.00000 0.08364 55 4XX 0.00038 0.00000 0.00000 0.00000 0.00161 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00013 57 4ZZ -0.00091 0.00000 0.00000 0.00000 -0.00022 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00033 0.00000 -0.00140 0.00000 0.00000 62 2S 0.00284 0.00000 0.02012 0.00000 -0.00023 63 2PX 0.00000 -0.00174 0.00000 0.00000 0.00000 64 2PY 0.02725 0.00000 0.03429 0.00000 -0.00059 65 2PZ 0.00000 0.00000 0.00000 -0.00119 0.00000 66 3S -0.01130 0.00000 0.01588 0.00000 -0.00138 67 3PX 0.00000 -0.00450 0.00000 0.00000 0.00000 68 3PY 0.01588 0.00000 0.01485 0.00000 -0.00137 69 3PZ 0.00000 0.00000 0.00000 -0.00302 0.00000 70 4XX -0.00138 0.00000 -0.00137 0.00000 0.00000 71 4YY 0.00379 0.00000 0.00190 0.00000 -0.00001 72 4ZZ -0.00065 0.00000 -0.00137 0.00000 0.00000 73 4XY 0.00000 0.00077 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00071 0.00000 76 6 C 1S -0.00001 0.00000 0.00009 0.00000 0.00000 77 2S -0.00053 -0.00025 -0.00230 -0.00033 0.00000 78 2PX 0.00050 0.00003 -0.00058 0.00000 0.00000 79 2PY -0.00351 -0.00004 -0.00465 -0.00042 0.00000 80 2PZ -0.00080 -0.00033 -0.00096 0.00003 0.00000 81 3S -0.00131 0.00110 -0.00452 -0.00082 -0.00002 82 3PX 0.00307 0.00056 -0.00001 -0.00002 0.00010 83 3PY -0.00620 0.00211 -0.00397 0.00054 0.00000 84 3PZ -0.00390 -0.00137 -0.00237 0.00059 -0.00002 85 4XX -0.00008 0.00000 -0.00013 -0.00002 0.00000 86 4YY 0.00027 -0.00001 0.00057 0.00002 0.00000 87 4ZZ -0.00006 -0.00001 -0.00012 0.00001 0.00000 88 4XY 0.00004 0.00000 0.00010 0.00001 0.00000 89 4XZ 0.00000 0.00000 -0.00006 0.00000 0.00000 90 4YZ 0.00003 0.00001 0.00008 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00001 -0.00003 -0.00001 -0.00009 0.00000 93 8 H 1S 0.00008 0.00010 0.00002 0.00012 0.00000 94 2S 0.00142 0.00127 0.00016 0.00197 0.00000 95 9 H 1S -0.00433 -0.00193 -0.00115 -0.00145 0.00000 96 2S -0.01674 -0.00635 -0.00515 -0.00463 -0.00017 97 10 H 1S 0.02945 0.00217 0.00756 0.05195 -0.00099 98 2S -0.00242 0.00261 0.00717 0.05288 -0.00306 99 11 H 1S -0.00129 -0.00003 -0.00262 -0.00133 0.00000 100 2S -0.00249 -0.00029 -0.00791 -0.00417 0.00024 101 12 H 1S 0.00008 0.00000 0.00023 0.00000 0.00000 102 2S 0.00133 0.00008 0.00299 0.00013 0.00000 103 13 H 1S -0.00222 -0.00148 -0.00193 -0.00002 -0.00001 104 2S -0.00949 -0.00415 -0.00662 -0.00039 -0.00008 105 14 H 1S 0.03249 0.05358 0.00703 0.00301 0.00518 106 2S 0.00684 0.05341 0.00609 0.00313 0.00547 107 15 C 1S 0.00002 0.00005 0.00000 0.00000 0.00000 108 2S -0.00057 -0.00086 0.00001 -0.00002 0.00000 109 2PX -0.00076 -0.00005 0.00006 -0.00003 0.00002 110 2PY -0.00002 -0.00002 -0.00012 0.00000 0.00000 111 2PZ -0.00003 -0.00005 0.00000 -0.00015 0.00000 112 3S -0.00286 -0.00331 0.00010 -0.00013 0.00014 113 3PX -0.00325 0.00013 0.00014 -0.00007 0.00044 114 3PY -0.00007 -0.00011 -0.00044 0.00000 0.00001 115 3PZ -0.00021 -0.00021 0.00001 -0.00061 0.00003 116 4XX 0.00002 0.00011 0.00000 0.00001 0.00000 117 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 -0.00002 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 121 4YZ 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 -0.00005 0.00000 0.00001 0.00001 0.00000 124 2PX -0.00069 -0.00016 0.00000 0.00003 0.00000 125 2PY 0.00006 -0.00001 -0.00002 0.00000 0.00000 126 2PZ -0.00003 0.00000 0.00001 -0.00005 0.00000 127 3S -0.00107 -0.00023 -0.00032 0.00008 0.00001 128 3PX -0.00499 -0.00060 0.00039 0.00016 0.00003 129 3PY 0.00095 -0.00019 -0.00007 -0.00002 0.00000 130 3PZ -0.00021 -0.00001 -0.00001 -0.00026 0.00000 131 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 134 4XY -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 143 3PX 0.00002 0.00000 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00003 0.00013 0.00001 0.00000 0.00000 158 3PX 0.00014 0.00000 0.00002 0.00006 0.00000 159 3PY -0.00002 -0.00002 0.00000 0.00000 0.00000 160 3PZ -0.00003 -0.00001 0.00000 0.00005 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S -0.00035 -0.00019 -0.00006 -0.00020 0.00000 168 2S -0.00165 0.00045 0.00004 -0.00017 -0.00009 169 20 H 1S 0.00002 -0.00002 0.00000 -0.00001 0.00000 170 2S 0.00065 -0.00022 -0.00004 -0.00021 0.00001 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00001 0.00000 0.00001 0.00000 0.00000 179 3PX 0.00007 0.00002 0.00002 0.00001 0.00000 180 3PY 0.00001 0.00002 0.00001 0.00000 0.00000 181 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00123 57 4ZZ -0.00010 0.00156 58 4XY 0.00000 0.00000 0.00089 59 4XZ 0.00000 0.00000 0.00000 0.00065 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 61 5 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 62 2S 0.00253 -0.00022 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00109 0.00000 0.00000 64 2PY 0.00253 -0.00062 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00109 66 3S 0.00379 -0.00065 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00077 0.00000 0.00000 68 3PY 0.00190 -0.00137 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00071 70 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00003 -0.00002 0.00000 0.00000 0.00000 72 4ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00014 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00015 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00001 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 79 2PY 0.00001 0.00000 0.00002 0.00000 0.00001 80 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 81 3S 0.00002 0.00001 0.00001 -0.00001 0.00004 82 3PX -0.00010 -0.00008 0.00000 0.00000 0.00005 83 3PY 0.00004 -0.00003 0.00000 0.00002 0.00002 84 3PZ 0.00003 0.00003 0.00006 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 95 9 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00002 96 2S 0.00064 -0.00018 0.00005 -0.00006 0.00005 97 10 H 1S -0.00081 0.00520 0.00006 0.00046 0.00199 98 2S -0.00121 0.00568 0.00002 0.00009 0.00044 99 11 H 1S 0.00002 0.00000 0.00000 0.00000 0.00006 100 2S -0.00015 -0.00007 0.00002 0.00000 0.00030 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 H 1S 0.00003 0.00000 0.00006 0.00000 0.00001 104 2S -0.00005 0.00021 0.00029 0.00000 0.00003 105 14 H 1S -0.00087 -0.00094 0.00172 0.00078 0.00010 106 2S -0.00158 -0.00262 0.00038 0.00015 0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00001 -0.00003 0.00000 0.00000 0.00000 113 3PX -0.00009 -0.00011 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00001 0.00005 0.00000 0.00001 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05093 62 2S -0.01173 0.30675 63 2PX 0.00000 0.00000 0.39946 64 2PY 0.00000 0.00000 0.00000 0.38112 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.40015 66 3S -0.03468 0.23023 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10534 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.09958 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10200 70 4XX -0.00136 -0.00117 0.00000 0.00000 0.00000 71 4YY -0.00123 -0.00373 0.00000 0.00000 0.00000 72 4ZZ -0.00136 -0.00110 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00020 -0.00064 -0.00019 -0.00062 77 2S -0.00020 0.00515 0.01324 0.00379 0.01221 78 2PX -0.00048 0.00949 0.00746 0.00741 0.01972 79 2PY -0.00024 0.00422 0.00781 -0.00061 0.00705 80 2PZ -0.00060 0.01170 0.02214 0.00603 0.00976 81 3S 0.00005 0.00398 0.01012 0.00280 0.01394 82 3PX -0.00012 0.00415 -0.00083 0.00414 0.00690 83 3PY -0.00021 0.00297 0.00089 -0.00148 0.00184 84 3PZ -0.00038 0.00604 0.01048 0.00316 -0.00057 85 4XX -0.00002 0.00042 -0.00061 0.00035 0.00093 86 4YY 0.00001 -0.00028 -0.00027 -0.00006 -0.00028 87 4ZZ -0.00001 0.00022 0.00060 0.00030 -0.00077 88 4XY -0.00002 0.00037 0.00020 0.00004 0.00058 89 4XZ -0.00007 0.00108 0.00032 0.00059 0.00036 90 4YZ -0.00003 0.00043 0.00066 0.00003 0.00028 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00013 0.00001 0.00027 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00006 0.00002 0.00028 0.00002 97 10 H 1S 0.00000 -0.00011 -0.00001 -0.00033 -0.00012 98 2S 0.00010 -0.00182 -0.00019 -0.00489 -0.00167 99 11 H 1S -0.00165 0.02726 0.00377 0.01179 0.08206 100 2S -0.00051 0.00973 0.00277 0.00737 0.05512 101 12 H 1S 0.00000 -0.00012 -0.00015 -0.00028 -0.00011 102 2S 0.00017 -0.00246 -0.00265 -0.00439 -0.00188 103 13 H 1S -0.00167 0.02754 0.08143 0.00962 0.00596 104 2S -0.00062 0.01033 0.05295 0.00574 0.00401 105 14 H 1S 0.00000 -0.00013 -0.00014 -0.00033 -0.00001 106 2S 0.00014 -0.00231 -0.00158 -0.00474 -0.00023 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00006 -0.00015 -0.00004 0.00001 113 3PX 0.00001 -0.00045 -0.00059 -0.00004 0.00003 114 3PY 0.00000 0.00004 -0.00006 -0.00001 0.00000 115 3PZ 0.00000 -0.00001 -0.00002 -0.00001 -0.00002 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 2PX 0.00000 -0.00003 -0.00009 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 -0.00039 -0.00103 0.00001 -0.00005 128 3PX 0.00004 -0.00054 -0.00093 -0.00001 -0.00001 129 3PY 0.00000 -0.00001 -0.00007 -0.00005 0.00000 130 3PZ 0.00000 -0.00004 -0.00012 0.00000 -0.00009 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00002 0.00000 -0.00001 -0.00002 169 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 170 2S 0.00000 -0.00012 0.00003 0.00002 0.00017 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.31662 67 3PX 0.00000 0.08895 68 3PY 0.00000 0.00000 0.08740 69 3PZ 0.00000 0.00000 0.00000 0.08364 70 4XX 0.00038 0.00000 0.00000 0.00000 0.00161 71 4YY -0.00323 0.00000 0.00000 0.00000 -0.00013 72 4ZZ -0.00091 0.00000 0.00000 0.00000 -0.00022 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00028 -0.00067 -0.00022 -0.00061 -0.00001 77 2S 0.00640 0.01063 0.00175 0.01010 0.00020 78 2PX 0.00841 -0.00107 0.00521 0.01286 -0.00058 79 2PY 0.01038 0.00493 0.00043 0.00454 0.00027 80 2PZ 0.01788 0.01371 0.00356 -0.00081 0.00081 81 3S -0.00481 0.00531 0.00027 0.00942 0.00088 82 3PX -0.00513 -0.00501 0.00442 0.00661 -0.00132 83 3PY 0.00621 0.00062 -0.00069 0.00083 0.00038 84 3PZ 0.01216 0.00828 0.00153 -0.00343 0.00124 85 4XX 0.00131 -0.00060 0.00037 0.00097 0.00005 86 4YY -0.00156 -0.00062 -0.00036 -0.00059 -0.00002 87 4ZZ 0.00064 0.00079 0.00021 -0.00074 -0.00009 88 4XY 0.00018 0.00000 0.00009 0.00014 -0.00001 89 4XZ 0.00073 0.00000 0.00017 0.00000 0.00003 90 4YZ 0.00027 0.00019 0.00005 0.00000 -0.00001 91 7 H 1S 0.00008 0.00010 0.00002 0.00012 0.00000 92 2S 0.00142 0.00127 0.00016 0.00196 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00001 -0.00003 -0.00001 -0.00009 0.00000 95 9 H 1S 0.00008 0.00000 0.00023 0.00000 0.00000 96 2S 0.00133 0.00008 0.00299 0.00013 0.00000 97 10 H 1S -0.00129 -0.00003 -0.00262 -0.00133 0.00000 98 2S -0.00248 -0.00029 -0.00791 -0.00418 0.00024 99 11 H 1S 0.02945 0.00216 0.00757 0.05194 -0.00099 100 2S -0.00242 0.00260 0.00718 0.05288 -0.00306 101 12 H 1S -0.00433 -0.00193 -0.00115 -0.00145 0.00000 102 2S -0.01673 -0.00635 -0.00515 -0.00463 -0.00017 103 13 H 1S 0.03249 0.05357 0.00702 0.00302 0.00518 104 2S 0.00684 0.05341 0.00608 0.00314 0.00547 105 14 H 1S -0.00222 -0.00148 -0.00193 -0.00002 -0.00001 106 2S -0.00949 -0.00415 -0.00662 -0.00039 -0.00008 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00005 0.00000 0.00001 0.00001 0.00000 109 2PX -0.00069 -0.00016 0.00000 0.00003 0.00000 110 2PY 0.00006 -0.00001 -0.00002 0.00000 0.00000 111 2PZ -0.00003 0.00000 0.00001 -0.00005 0.00000 112 3S -0.00107 -0.00024 -0.00032 0.00008 0.00001 113 3PX -0.00499 -0.00061 0.00039 0.00016 0.00003 114 3PY 0.00095 -0.00019 -0.00007 -0.00002 0.00000 115 3PZ -0.00021 -0.00001 -0.00001 -0.00026 0.00000 116 4XX -0.00001 0.00002 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 118 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 119 4XY -0.00001 0.00000 0.00001 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00002 0.00005 0.00000 0.00000 0.00000 123 2S -0.00057 -0.00086 0.00001 -0.00002 0.00000 124 2PX -0.00076 -0.00006 0.00006 -0.00003 0.00002 125 2PY -0.00002 -0.00002 -0.00012 0.00000 0.00000 126 2PZ -0.00003 -0.00005 0.00000 -0.00015 0.00000 127 3S -0.00286 -0.00331 0.00010 -0.00013 0.00014 128 3PX -0.00326 0.00013 0.00014 -0.00007 0.00044 129 3PY -0.00007 -0.00011 -0.00044 0.00000 0.00001 130 3PZ -0.00021 -0.00021 0.00001 -0.00061 0.00003 131 4XX 0.00002 0.00011 0.00000 0.00001 0.00000 132 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00002 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 -0.00001 0.00000 0.00000 0.00000 143 3PX 0.00002 0.00000 0.00000 0.00001 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00001 0.00000 0.00001 0.00000 0.00000 158 3PX 0.00007 0.00002 0.00002 0.00001 0.00000 159 3PY 0.00001 0.00002 0.00001 0.00000 0.00000 160 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00002 -0.00002 0.00000 -0.00001 0.00000 168 2S 0.00065 -0.00022 -0.00004 -0.00021 0.00001 169 20 H 1S -0.00035 -0.00019 -0.00006 -0.00020 0.00000 170 2S -0.00165 0.00045 0.00004 -0.00017 -0.00009 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00003 0.00013 0.00001 0.00000 0.00000 179 3PX 0.00014 0.00000 0.00002 0.00006 0.00000 180 3PY -0.00002 -0.00002 0.00000 0.00000 0.00000 181 3PZ -0.00003 -0.00001 0.00000 0.00005 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 4YY 0.00123 72 4ZZ -0.00010 0.00156 73 4XY 0.00000 0.00000 0.00089 74 4XZ 0.00000 0.00000 0.00000 0.00065 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00095 76 6 C 1S 0.00000 -0.00001 -0.00003 -0.00007 -0.00003 77 2S -0.00018 0.00030 0.00045 0.00120 0.00043 78 2PX -0.00015 0.00102 0.00019 0.00038 0.00066 79 2PY -0.00006 0.00026 0.00003 0.00065 0.00003 80 2PZ -0.00016 -0.00066 0.00068 0.00044 0.00025 81 3S -0.00034 -0.00007 0.00016 0.00057 0.00022 82 3PX 0.00012 0.00173 0.00000 0.00000 0.00015 83 3PY -0.00035 0.00001 0.00014 0.00006 0.00011 84 3PZ -0.00033 -0.00087 0.00018 0.00000 0.00000 85 4XX -0.00003 -0.00010 -0.00003 -0.00003 0.00001 86 4YY 0.00002 -0.00004 0.00000 -0.00002 0.00000 87 4ZZ -0.00003 0.00005 0.00000 -0.00002 -0.00003 88 4XY 0.00000 -0.00002 0.00000 0.00002 0.00000 89 4XZ -0.00004 -0.00001 0.00000 0.00002 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00002 0.00000 0.00000 0.00000 0.00006 98 2S -0.00015 -0.00007 0.00002 0.00000 0.00030 99 11 H 1S -0.00081 0.00520 0.00006 0.00045 0.00199 100 2S -0.00121 0.00568 0.00002 0.00009 0.00044 101 12 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00002 102 2S 0.00064 -0.00018 0.00005 -0.00006 0.00005 103 13 H 1S -0.00087 -0.00094 0.00172 0.00078 0.00010 104 2S -0.00159 -0.00261 0.00038 0.00015 0.00003 105 14 H 1S 0.00003 0.00000 0.00006 0.00000 0.00001 106 2S -0.00005 0.00021 0.00029 0.00000 0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 114 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 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 -0.00003 0.00000 0.00000 0.00000 128 3PX -0.00009 -0.00011 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00001 0.00005 0.00000 0.00001 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05493 77 2S -0.01338 0.32600 78 2PX 0.00000 0.00000 0.34895 79 2PY 0.00000 0.00000 0.00000 0.41139 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.39185 81 3S -0.03626 0.23449 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11484 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07561 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09432 85 4XX -0.00092 -0.00901 0.00000 0.00000 0.00000 86 4YY -0.00146 0.00117 0.00000 0.00000 0.00000 87 4ZZ -0.00109 -0.00530 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00021 -0.00005 0.00000 -0.00066 92 2S 0.00026 -0.00353 -0.00095 0.00000 -0.01002 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 -0.00001 0.00019 0.00034 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00008 0.00000 0.00015 0.00016 99 11 H 1S 0.00000 -0.00014 -0.00004 0.00000 -0.00050 100 2S 0.00018 -0.00270 0.00023 -0.00011 -0.00842 101 12 H 1S -0.00197 0.03104 0.00168 0.09662 0.00025 102 2S -0.00122 0.01265 0.00088 0.06397 -0.00001 103 13 H 1S 0.00000 -0.00018 -0.00038 -0.00001 -0.00009 104 2S 0.00017 -0.00314 -0.00668 -0.00010 -0.00069 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00006 0.00021 0.00010 0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00024 -0.00001 -0.00053 0.00006 113 3PX 0.00001 -0.00037 -0.00015 -0.00023 -0.00034 114 3PY -0.00001 -0.00005 0.00030 -0.00029 0.00025 115 3PZ 0.00000 -0.00029 -0.00014 -0.00013 0.00002 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00009 0.00020 0.00001 0.00006 124 2PX 0.00000 0.00003 0.00187 0.00027 0.00077 125 2PY 0.00000 -0.00002 0.00023 -0.00001 0.00006 126 2PZ 0.00000 0.00007 0.00122 0.00012 0.00032 127 3S 0.00014 -0.00004 0.00261 0.00094 -0.00004 128 3PX 0.00009 -0.00126 0.00615 0.00128 0.00484 129 3PY 0.00000 -0.00033 0.00210 0.00017 0.00095 130 3PZ 0.00002 0.00072 0.00580 0.00057 0.00028 131 4XX 0.00000 0.00003 0.00008 0.00002 0.00007 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00002 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00003 0.00011 0.00001 0.00003 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00002 0.00000 0.00000 143 3PX 0.00000 0.00001 0.00001 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00005 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00005 0.00004 0.00005 169 20 H 1S 0.00000 -0.00002 -0.00004 0.00000 -0.00005 170 2S 0.00003 -0.00061 -0.00176 -0.00001 -0.00193 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00001 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00007 -0.00041 0.00000 0.00000 179 3PX 0.00000 -0.00021 -0.00135 -0.00002 -0.00006 180 3PY 0.00000 0.00000 0.00001 -0.00001 0.00000 181 3PZ 0.00000 -0.00002 -0.00019 0.00000 0.00006 182 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.29355 82 3PX 0.00000 0.13457 83 3PY 0.00000 0.00000 0.05435 84 3PZ 0.00000 0.00000 0.00000 0.08689 85 4XX -0.00634 0.00000 0.00000 0.00000 0.00127 86 4YY 0.00257 0.00000 0.00000 0.00000 -0.00013 87 4ZZ -0.00501 0.00000 0.00000 0.00000 0.00007 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00370 0.00035 -0.00008 -0.00328 0.00001 92 2S -0.01436 0.00090 -0.00023 -0.01419 0.00032 93 8 H 1S 0.00011 0.00000 0.00005 0.00019 0.00000 94 2S 0.00160 -0.00013 0.00099 0.00242 0.00000 95 9 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 96 2S 0.00022 0.00003 -0.00012 0.00001 0.00000 97 10 H 1S 0.00005 0.00000 -0.00004 0.00007 0.00000 98 2S 0.00050 -0.00026 -0.00014 0.00109 0.00001 99 11 H 1S -0.00280 0.00059 0.00001 -0.00303 -0.00001 100 2S -0.01128 0.00426 -0.00019 -0.01434 -0.00034 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 H 1S -0.00075 -0.00497 0.00025 -0.00047 0.00013 104 2S -0.00116 -0.01771 0.00063 0.00030 0.00093 105 14 H 1S -0.00003 0.00020 -0.00011 0.00004 0.00000 106 2S -0.00016 0.00182 -0.00020 0.00028 0.00000 107 15 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 108 2S -0.00003 -0.00021 -0.00001 -0.00009 0.00000 109 2PX 0.00006 -0.00027 0.00037 0.00001 0.00000 110 2PY -0.00004 -0.00041 0.00007 -0.00034 0.00000 111 2PZ -0.00007 -0.00043 0.00017 0.00000 0.00000 112 3S -0.00063 -0.00028 -0.00030 0.00002 0.00000 113 3PX 0.00011 -0.00120 0.00116 -0.00058 0.00001 114 3PY -0.00066 0.00185 -0.00036 0.00013 0.00000 115 3PZ -0.00047 -0.00121 0.00043 -0.00008 0.00003 116 4XX 0.00001 -0.00002 0.00003 0.00000 0.00000 117 4YY 0.00001 0.00001 0.00001 0.00000 0.00000 118 4ZZ 0.00000 0.00001 -0.00002 0.00000 0.00000 119 4XY 0.00000 0.00006 0.00002 0.00004 0.00000 120 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 121 4YZ 0.00001 0.00006 0.00001 0.00001 0.00000 122 16 C 1S 0.00005 0.00000 -0.00001 -0.00008 0.00000 123 2S -0.00009 0.00035 0.00032 0.00091 0.00002 124 2PX -0.00022 0.00670 0.00053 0.00443 0.00007 125 2PY -0.00008 0.00092 0.00001 0.00082 0.00002 126 2PZ 0.00158 0.00586 0.00076 0.00060 0.00005 127 3S 0.00281 0.00466 0.00185 0.00257 0.00019 128 3PX -0.00116 0.00920 0.00120 0.00994 0.00050 129 3PY -0.00008 0.00427 -0.00005 0.00215 0.00013 130 3PZ 0.00366 0.01035 0.00121 -0.00078 0.00022 131 4XX 0.00050 0.00053 0.00019 0.00046 0.00000 132 4YY -0.00008 -0.00013 -0.00002 -0.00009 0.00000 133 4ZZ -0.00023 -0.00020 -0.00011 -0.00011 0.00000 134 4XY -0.00001 0.00005 0.00004 0.00003 0.00000 135 4XZ 0.00008 0.00028 0.00004 0.00003 0.00000 136 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00001 0.00000 0.00000 0.00000 139 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 140 2PY 0.00001 0.00003 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00004 0.00019 0.00001 0.00001 0.00000 143 3PX 0.00000 0.00011 -0.00007 0.00000 0.00000 144 3PY 0.00003 0.00052 0.00000 0.00001 0.00000 145 3PZ 0.00000 -0.00001 0.00000 0.00006 0.00000 146 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00001 -0.00001 0.00000 0.00000 154 2PX 0.00000 0.00001 -0.00002 0.00000 0.00000 155 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S -0.00003 0.00012 -0.00004 0.00000 0.00000 158 3PX -0.00007 0.00007 -0.00023 0.00000 0.00000 159 3PY -0.00004 0.00013 0.00002 0.00002 0.00000 160 3PZ 0.00000 0.00001 -0.00003 0.00001 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00001 0.00004 -0.00001 0.00002 0.00000 168 2S 0.00013 0.00076 -0.00011 0.00058 0.00000 169 20 H 1S -0.00085 -0.00135 -0.00001 -0.00053 0.00000 170 2S -0.00506 -0.00782 -0.00004 -0.00548 -0.00003 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00009 0.00008 0.00007 -0.00002 0.00000 173 22 O 1S 0.00000 0.00001 0.00000 0.00000 0.00000 174 2S 0.00003 -0.00020 0.00002 -0.00005 0.00000 175 2PX -0.00041 -0.00134 -0.00007 -0.00013 0.00000 176 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 177 2PZ -0.00010 -0.00016 -0.00002 0.00014 0.00000 178 3S -0.00081 -0.00261 0.00001 -0.00035 0.00000 179 3PX -0.00356 -0.00697 -0.00044 -0.00073 0.00005 180 3PY -0.00006 0.00021 -0.00023 -0.00002 0.00000 181 3PZ -0.00072 -0.00104 -0.00009 0.00126 0.00001 182 4XX 0.00001 0.00023 0.00000 0.00002 0.00000 183 4YY 0.00002 -0.00004 0.00000 0.00000 0.00000 184 4ZZ 0.00002 -0.00002 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 186 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00004 -0.00002 -0.00001 0.00000 86 87 88 89 90 86 4YY 0.00185 87 4ZZ -0.00028 0.00134 88 4XY 0.00000 0.00000 0.00038 89 4XZ 0.00000 0.00000 0.00000 0.00090 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00071 91 7 H 1S -0.00001 0.00009 0.00000 0.00003 -0.00001 92 2S -0.00036 0.00050 0.00000 0.00013 -0.00004 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00002 0.00001 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 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 -0.00002 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00011 0.00000 0.00002 0.00000 100 2S -0.00014 0.00103 -0.00001 -0.00005 -0.00003 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 H 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 104 2S -0.00012 -0.00025 -0.00002 0.00001 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00002 0.00001 -0.00001 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00002 0.00000 0.00000 0.00001 0.00001 113 3PX -0.00002 0.00004 0.00001 0.00005 0.00001 114 3PY 0.00003 -0.00003 0.00000 -0.00003 0.00000 115 3PZ -0.00001 0.00001 0.00001 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00003 0.00000 124 2PX -0.00001 0.00001 0.00002 0.00011 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00002 0.00001 127 3S -0.00014 0.00001 0.00002 0.00013 0.00000 128 3PX -0.00024 0.00010 0.00004 0.00025 0.00006 129 3PY 0.00000 -0.00004 0.00000 0.00005 -0.00001 130 3PZ -0.00005 -0.00002 0.00004 0.00003 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 20 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 170 2S -0.00001 0.00011 0.00000 0.00006 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21724 92 2S 0.11526 0.16429 93 8 H 1S -0.00001 -0.00090 0.21724 94 2S -0.00090 -0.00524 0.11526 0.16429 95 9 H 1S 0.00000 0.00000 -0.00002 -0.00105 0.21689 96 2S 0.00000 -0.00014 -0.00108 -0.00576 0.11507 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 0.00002 0.00000 -0.00018 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00018 0.00000 0.00002 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 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00006 -0.00016 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00001 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00003 -0.00001 110 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 2PZ 0.00000 -0.00001 0.00000 0.00005 0.00000 112 3S 0.00000 0.00012 -0.00001 -0.00029 -0.00045 113 3PX 0.00000 -0.00010 0.00003 0.00045 -0.00066 114 3PY 0.00000 0.00017 0.00001 0.00014 0.00017 115 3PZ 0.00001 0.00006 -0.00004 -0.00034 -0.00012 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00005 0.00000 -0.00001 0.00000 127 3S -0.00001 -0.00029 0.00000 0.00012 0.00001 128 3PX 0.00003 0.00045 0.00000 -0.00010 0.00000 129 3PY 0.00001 0.00014 0.00000 0.00017 0.00003 130 3PZ -0.00004 -0.00034 0.00001 0.00006 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00001 0.00000 -0.00001 0.00000 143 3PX 0.00001 0.00008 0.00001 0.00008 0.00000 144 3PY 0.00000 0.00005 0.00000 0.00005 0.00000 145 3PZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00003 0.00000 157 3S 0.00000 -0.00001 0.00000 0.00019 -0.00001 158 3PX 0.00000 0.00000 -0.00001 0.00014 -0.00001 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 -0.00001 -0.00002 0.00013 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00001 0.00000 -0.00010 -0.00007 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 -0.00010 0.00000 0.00001 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00008 0.00001 0.00008 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 178 3S 0.00000 0.00019 0.00000 -0.00001 0.00000 179 3PX -0.00001 0.00014 0.00000 0.00000 0.00000 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ -0.00002 0.00013 0.00000 -0.00001 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.16313 97 10 H 1S -0.00029 0.21677 98 2S -0.00053 0.11804 0.17241 99 11 H 1S 0.00000 -0.00004 -0.00166 0.21677 100 2S -0.00016 -0.00166 -0.00812 0.11803 0.17240 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00039 102 2S 0.00000 0.00000 -0.00016 -0.00029 -0.00053 103 13 H 1S 0.00000 0.00000 0.00043 -0.00052 -0.00875 104 2S -0.00010 0.00037 0.00391 -0.00805 -0.02613 105 14 H 1S -0.00011 -0.00052 -0.00875 0.00000 0.00043 106 2S -0.00027 -0.00805 -0.02613 0.00037 0.00391 107 15 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 108 2S -0.00014 0.00000 -0.00009 0.00000 0.00002 109 2PX -0.00057 -0.00001 -0.00046 0.00000 0.00008 110 2PY -0.00047 0.00000 0.00000 0.00000 -0.00003 111 2PZ -0.00021 0.00000 0.00016 0.00000 -0.00002 112 3S -0.00291 -0.00045 -0.00210 0.00002 0.00031 113 3PX -0.00300 -0.00048 -0.00172 0.00001 0.00085 114 3PY 0.00034 -0.00014 -0.00058 -0.00003 -0.00059 115 3PZ -0.00089 0.00009 0.00049 0.00000 -0.00014 116 4XX -0.00003 0.00000 -0.00004 0.00000 0.00000 117 4YY 0.00005 0.00000 0.00000 0.00000 0.00000 118 4ZZ -0.00001 0.00000 0.00002 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00002 0.00000 0.00000 121 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00001 0.00000 0.00002 0.00000 -0.00009 124 2PX 0.00000 0.00000 0.00008 -0.00001 -0.00046 125 2PY 0.00004 0.00000 -0.00003 0.00000 0.00000 126 2PZ 0.00000 0.00000 -0.00002 0.00000 0.00016 127 3S 0.00040 0.00002 0.00031 -0.00045 -0.00210 128 3PX 0.00007 0.00001 0.00085 -0.00048 -0.00172 129 3PY 0.00037 -0.00003 -0.00059 -0.00014 -0.00058 130 3PZ 0.00002 0.00000 -0.00014 0.00009 0.00049 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00004 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00002 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00001 0.00000 0.00000 0.00000 0.00000 143 3PX -0.00002 0.00000 0.00000 0.00000 0.00000 144 3PY -0.00003 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00004 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 155 2PY 0.00004 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00036 0.00000 0.00005 0.00000 0.00000 158 3PX 0.00001 0.00000 0.00014 0.00000 0.00000 159 3PY 0.00025 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00003 0.00000 -0.00006 0.00000 0.00000 161 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S -0.00013 0.00000 0.00064 0.00000 -0.00001 168 2S 0.00021 0.00081 0.00647 -0.00002 -0.00048 169 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00064 170 2S -0.00004 -0.00002 -0.00048 0.00081 0.00646 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 176 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 0.00000 0.00000 0.00000 0.00005 179 3PX -0.00001 0.00000 0.00000 0.00000 0.00014 180 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 12 H 1S 0.21689 102 2S 0.11507 0.16312 103 13 H 1S 0.00000 -0.00010 0.21519 104 2S -0.00016 -0.00027 0.11332 0.15965 105 14 H 1S 0.00000 0.00000 -0.00005 -0.00190 0.21519 106 2S 0.00000 -0.00010 -0.00190 -0.00682 0.11332 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00001 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 110 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00001 0.00040 0.00000 0.00004 0.00001 113 3PX 0.00000 0.00007 0.00000 0.00029 0.00003 114 3PY 0.00003 0.00037 0.00000 0.00001 0.00000 115 3PZ 0.00000 0.00002 0.00000 0.00002 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00014 0.00000 0.00002 0.00000 124 2PX -0.00001 -0.00057 0.00000 0.00011 0.00000 125 2PY -0.00001 -0.00047 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00021 0.00000 0.00001 0.00000 127 3S -0.00045 -0.00291 0.00001 0.00046 0.00000 128 3PX -0.00066 -0.00300 0.00003 0.00124 0.00000 129 3PY 0.00017 0.00034 0.00000 0.00011 0.00000 130 3PZ -0.00012 -0.00089 0.00000 0.00012 0.00000 131 4XX 0.00000 -0.00003 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00001 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 0.00001 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 143 3PX 0.00000 -0.00002 0.00000 0.00000 0.00000 144 3PY 0.00000 -0.00003 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 159 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 -0.00004 0.00000 0.00001 -0.00001 169 20 H 1S 0.00000 -0.00013 0.00000 0.00000 0.00000 170 2S -0.00007 0.00021 -0.00001 -0.00027 0.00000 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00004 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S -0.00001 0.00036 0.00000 0.00000 0.00000 179 3PX -0.00001 0.00001 0.00000 -0.00002 0.00000 180 3PY 0.00000 0.00025 0.00000 0.00000 0.00000 181 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 182 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.15965 107 15 C 1S 0.00000 2.05261 108 2S 0.00002 -0.01388 0.33257 109 2PX 0.00011 0.00000 0.00000 0.35370 110 2PY 0.00000 0.00000 0.00000 0.00000 0.42805 111 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 112 3S 0.00046 -0.03169 0.22153 0.00000 0.00000 113 3PX 0.00124 0.00000 0.00000 0.10355 0.00000 114 3PY 0.00011 0.00000 0.00000 0.00000 0.06761 115 3PZ 0.00012 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00098 -0.00823 0.00000 0.00000 117 4YY 0.00000 -0.00136 -0.00089 0.00000 0.00000 118 4ZZ 0.00000 -0.00119 -0.00395 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 -0.00066 0.00000 -0.00298 123 2S 0.00000 -0.00066 0.01406 0.00000 0.04390 124 2PX 0.00001 0.00000 0.00000 0.01689 0.00000 125 2PY 0.00000 -0.00298 0.04391 0.00000 0.10306 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00004 0.00022 0.00850 0.00000 0.03419 128 3PX 0.00029 0.00000 0.00000 0.02495 0.00000 129 3PY 0.00001 -0.00027 0.01059 0.00000 0.01765 130 3PZ 0.00002 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00058 0.00000 -0.00162 132 4YY 0.00000 -0.00028 0.00372 0.00000 0.00305 133 4ZZ 0.00000 0.00000 -0.00072 0.00000 -0.00139 134 4XY 0.00000 0.00000 0.00000 0.00216 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00017 -0.00052 -0.00020 139 2PX 0.00000 0.00000 -0.00050 -0.00057 -0.00023 140 2PY 0.00000 0.00000 -0.00005 -0.00033 -0.00001 141 2PZ 0.00000 0.00000 -0.00019 -0.00046 -0.00005 142 3S 0.00000 0.00010 -0.00108 -0.00375 -0.00142 143 3PX 0.00000 0.00029 -0.00351 0.00031 -0.00101 144 3PY 0.00000 0.00003 -0.00050 -0.00201 -0.00009 145 3PZ 0.00000 0.00009 -0.00101 -0.00140 -0.00016 146 4XX 0.00000 0.00000 0.00003 0.00016 -0.00002 147 4YY 0.00000 0.00000 -0.00002 -0.00007 0.00000 148 4ZZ 0.00000 0.00000 0.00002 0.00010 -0.00001 149 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00013 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00006 0.00000 152 18 O 1S 0.00000 0.00000 -0.00007 -0.00042 -0.00007 153 2S 0.00000 -0.00002 0.00123 0.00794 0.00179 154 2PX 0.00000 -0.00023 0.01163 0.01476 0.00636 155 2PY 0.00000 -0.00005 0.00233 0.00492 -0.00073 156 2PZ 0.00000 -0.00013 0.00563 0.02016 0.00360 157 3S 0.00000 0.00037 -0.00405 0.00780 -0.00266 158 3PX -0.00002 -0.00205 0.02127 0.00872 0.00721 159 3PY 0.00000 -0.00079 0.00710 0.00657 -0.00457 160 3PZ 0.00000 -0.00126 0.01049 0.02145 0.00437 161 4XX 0.00000 -0.00006 0.00082 -0.00105 0.00079 162 4YY 0.00000 -0.00001 0.00013 0.00047 0.00000 163 4ZZ 0.00000 -0.00002 0.00024 0.00134 0.00049 164 4XY 0.00000 -0.00007 0.00081 0.00075 0.00022 165 4XZ 0.00000 -0.00016 0.00148 0.00068 0.00040 166 4YZ 0.00000 -0.00005 0.00045 0.00134 0.00014 167 19 H 1S 0.00000 -0.00228 0.03690 0.00793 0.03847 168 2S -0.00027 -0.00156 0.01879 0.00288 0.02289 169 20 H 1S 0.00000 0.00000 -0.00021 -0.00002 -0.00048 170 2S 0.00001 0.00025 -0.00404 -0.00034 -0.00663 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00001 0.00018 0.00049 0.00002 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 -0.00003 -0.00003 -0.00007 175 2PX 0.00000 0.00000 -0.00004 0.00007 -0.00016 176 2PY 0.00000 0.00000 -0.00017 -0.00008 -0.00034 177 2PZ 0.00000 0.00000 0.00001 -0.00008 -0.00013 178 3S 0.00000 -0.00001 -0.00010 -0.00115 0.00120 179 3PX 0.00000 0.00003 -0.00090 0.00052 -0.00165 180 3PY 0.00000 0.00012 -0.00335 -0.00153 -0.00361 181 3PZ 0.00000 -0.00001 0.00029 -0.00155 -0.00159 182 4XX 0.00000 0.00000 0.00000 -0.00001 -0.00004 183 4YY 0.00000 0.00000 -0.00003 -0.00001 -0.00006 184 4ZZ 0.00000 0.00000 0.00000 0.00002 -0.00002 185 4XY 0.00000 0.00000 0.00002 0.00002 0.00012 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 187 4YZ 0.00000 0.00000 0.00001 0.00001 0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00004 0.00100 0.00005 111 112 113 114 115 111 2PZ 0.37250 112 3S 0.00000 0.29971 113 3PX 0.00000 0.00000 0.12471 114 3PY 0.00000 0.00000 0.00000 0.05430 115 3PZ 0.08663 0.00000 0.00000 0.00000 0.08175 116 4XX 0.00000 -0.00569 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 118 4ZZ 0.00000 -0.00315 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00022 0.00000 -0.00027 0.00000 123 2S 0.00000 0.00850 0.00000 0.01059 0.00000 124 2PX 0.00000 0.00000 0.02495 0.00000 0.00000 125 2PY 0.00000 0.03419 0.00000 0.01765 0.00000 126 2PZ 0.01345 0.00000 0.00000 0.00000 0.02001 127 3S 0.00000 -0.02066 0.00000 -0.00416 0.00000 128 3PX 0.00000 0.00000 0.03515 0.00000 0.00000 129 3PY 0.00000 -0.00416 0.00000 0.00160 0.00000 130 3PZ 0.02001 0.00000 0.00000 0.00000 0.02759 131 4XX 0.00000 -0.00086 0.00000 -0.00173 0.00000 132 4YY 0.00000 0.00373 0.00000 0.00134 0.00000 133 4ZZ 0.00000 -0.00221 0.00000 -0.00081 0.00000 134 4XY 0.00000 0.00000 0.00129 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00225 0.00000 0.00000 0.00000 0.00098 137 17 C 1S 0.00000 0.00007 0.00024 0.00007 -0.00002 138 2S 0.00001 -0.00077 -0.00342 -0.00115 0.00097 139 2PX -0.00040 -0.00349 -0.00246 -0.00025 -0.00079 140 2PY -0.00024 0.00049 -0.00178 -0.00087 -0.00083 141 2PZ 0.00001 -0.00159 -0.00220 0.00017 0.00003 142 3S -0.00004 0.00114 -0.00718 -0.00271 0.00296 143 3PX -0.00346 -0.00871 0.00157 0.00029 -0.00414 144 3PY -0.00105 0.00058 -0.00176 0.00005 -0.00046 145 3PZ 0.00004 -0.00128 -0.00325 -0.00026 -0.00045 146 4XX 0.00008 -0.00025 0.00049 0.00008 0.00008 147 4YY -0.00003 -0.00017 -0.00060 0.00004 -0.00019 148 4ZZ 0.00001 0.00033 0.00059 -0.00007 0.00004 149 4XY 0.00002 0.00002 -0.00015 -0.00008 -0.00007 150 4XZ 0.00003 0.00006 0.00008 -0.00003 0.00001 151 4YZ 0.00000 0.00002 0.00010 -0.00002 0.00000 152 18 O 1S -0.00030 0.00133 0.00029 -0.00027 0.00044 153 2S 0.00540 -0.02020 -0.00428 0.00287 -0.00588 154 2PX 0.01937 0.00349 0.00051 0.00069 0.00347 155 2PY 0.00370 0.00289 -0.00129 0.00461 0.00029 156 2PZ 0.00308 0.00684 0.00776 0.00155 -0.00120 157 3S 0.00958 -0.06295 -0.01155 0.00244 -0.01076 158 3PX 0.01956 0.00095 -0.00193 -0.00011 0.00196 159 3PY 0.00651 0.00839 -0.00310 0.01104 0.00114 160 3PZ -0.00174 0.01609 0.00886 0.00298 -0.00697 161 4XX 0.00109 0.00153 -0.00127 0.00052 0.00104 162 4YY 0.00044 0.00058 -0.00036 -0.00023 0.00029 163 4ZZ -0.00045 0.00101 0.00207 0.00016 -0.00055 164 4XY 0.00104 0.00017 0.00001 0.00020 0.00006 165 4XZ 0.00008 0.00042 0.00000 0.00004 0.00005 166 4YZ 0.00010 0.00017 0.00020 0.00012 0.00001 167 19 H 1S 0.05132 0.05109 0.00330 0.01136 0.02349 168 2S 0.03190 0.03020 -0.00079 0.00772 0.02377 169 20 H 1S 0.00001 -0.00438 -0.00015 -0.00396 0.00001 170 2S -0.00022 -0.01600 -0.00044 -0.00968 0.00022 171 21 H 1S 0.00000 0.00021 0.00022 -0.00007 0.00011 172 2S 0.00017 0.00178 0.00190 -0.00023 0.00035 173 22 O 1S 0.00000 -0.00013 0.00000 -0.00014 -0.00001 174 2S -0.00003 0.00200 0.00009 0.00147 0.00034 175 2PX -0.00005 -0.00074 0.00019 -0.00020 -0.00007 176 2PY -0.00005 -0.00427 0.00105 -0.00423 0.00087 177 2PZ 0.00003 0.00027 -0.00124 -0.00151 -0.00029 178 3S -0.00084 0.01262 -0.00128 0.00962 -0.00039 179 3PX -0.00102 -0.00356 -0.00142 0.00009 -0.00098 180 3PY -0.00042 -0.01640 0.00199 -0.01058 0.00302 181 3PZ -0.00018 0.00197 -0.00482 -0.00484 -0.00248 182 4XX 0.00002 0.00004 -0.00009 -0.00019 0.00016 183 4YY 0.00001 -0.00062 0.00005 -0.00056 0.00015 184 4ZZ 0.00000 -0.00011 0.00011 -0.00017 -0.00006 185 4XY 0.00000 0.00000 0.00001 0.00010 0.00000 186 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 187 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 188 23 H 1S 0.00000 -0.00005 0.00032 0.00003 0.00001 189 2S -0.00012 -0.00222 0.00602 0.00084 -0.00068 116 117 118 119 120 116 4XX 0.00257 117 4YY -0.00022 0.00122 118 4ZZ -0.00017 -0.00012 0.00177 119 4XY 0.00000 0.00000 0.00000 0.00157 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00159 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 -0.00028 0.00000 0.00000 0.00000 123 2S -0.00058 0.00372 -0.00072 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00216 0.00000 125 2PY -0.00162 0.00305 -0.00139 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00086 0.00373 -0.00221 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00129 0.00000 129 3PY -0.00173 0.00134 -0.00081 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00004 -0.00004 0.00000 0.00000 0.00000 132 4YY -0.00004 -0.00006 -0.00004 0.00000 0.00000 133 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00001 0.00001 0.00002 0.00001 139 2PX 0.00014 -0.00003 0.00003 0.00007 0.00008 140 2PY 0.00003 0.00000 0.00001 0.00000 -0.00001 141 2PZ 0.00005 -0.00001 0.00001 0.00002 0.00002 142 3S 0.00005 -0.00010 0.00006 0.00006 -0.00004 143 3PX 0.00006 -0.00021 0.00050 0.00013 0.00005 144 3PY -0.00002 0.00003 -0.00001 -0.00008 -0.00009 145 3PZ 0.00043 -0.00006 -0.00011 0.00001 0.00000 146 4XX -0.00001 0.00000 0.00001 0.00001 0.00002 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 150 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 O 1S -0.00004 0.00000 -0.00001 -0.00005 -0.00009 153 2S 0.00111 -0.00019 0.00021 0.00087 0.00166 154 2PX -0.00088 -0.00052 0.00162 0.00035 0.00279 155 2PY 0.00079 0.00017 0.00032 0.00028 0.00123 156 2PZ 0.00394 -0.00025 -0.00069 0.00138 0.00027 157 3S 0.00123 -0.00005 0.00061 0.00101 0.00119 158 3PX -0.00176 -0.00162 0.00391 -0.00001 0.00080 159 3PY 0.00111 -0.00053 0.00066 0.00077 0.00085 160 3PZ 0.00637 -0.00071 -0.00229 0.00089 -0.00001 161 4XX -0.00004 -0.00001 0.00005 0.00002 0.00001 162 4YY 0.00008 -0.00004 0.00003 0.00002 0.00010 163 4ZZ 0.00009 0.00000 -0.00003 0.00002 -0.00002 164 4XY -0.00006 0.00000 0.00004 0.00000 0.00011 165 4XZ -0.00001 -0.00003 0.00000 0.00003 0.00007 166 4YZ 0.00018 0.00000 -0.00003 -0.00002 0.00002 167 19 H 1S -0.00138 -0.00041 0.00209 0.00064 0.00044 168 2S -0.00261 -0.00056 0.00337 0.00014 0.00008 169 20 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 170 2S 0.00021 -0.00032 0.00033 0.00001 0.00001 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00004 0.00001 -0.00007 -0.00001 -0.00002 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 176 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 177 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 178 3S -0.00004 0.00013 -0.00001 -0.00002 -0.00004 179 3PX -0.00006 0.00010 0.00010 0.00006 0.00000 180 3PY -0.00001 0.00038 -0.00004 0.00008 -0.00004 181 3PZ 0.00005 0.00007 -0.00003 0.00006 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00001 0.00000 0.00001 0.00000 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 121 122 123 124 125 121 4YZ 0.00181 122 16 C 1S 0.00000 2.05261 123 2S 0.00000 -0.01388 0.33257 124 2PX 0.00000 0.00000 0.00000 0.35370 125 2PY 0.00000 0.00000 0.00000 0.00000 0.42805 126 2PZ 0.00225 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03169 0.22153 0.00000 0.00000 128 3PX 0.00000 0.00000 0.00000 0.10355 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 0.06761 130 3PZ 0.00098 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 -0.00098 -0.00823 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00089 0.00000 0.00000 133 4ZZ 0.00000 -0.00119 -0.00395 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 -0.00018 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00000 -0.00017 -0.00052 -0.00020 139 2PX 0.00005 0.00000 -0.00050 -0.00057 -0.00023 140 2PY 0.00000 0.00000 -0.00005 -0.00033 -0.00001 141 2PZ 0.00001 0.00000 -0.00019 -0.00046 -0.00005 142 3S 0.00007 0.00010 -0.00108 -0.00375 -0.00142 143 3PX 0.00004 0.00029 -0.00351 0.00031 -0.00101 144 3PY -0.00004 0.00003 -0.00050 -0.00201 -0.00009 145 3PZ 0.00000 0.00009 -0.00101 -0.00140 -0.00016 146 4XX 0.00000 0.00000 0.00003 0.00016 -0.00002 147 4YY 0.00000 0.00000 -0.00002 -0.00007 0.00000 148 4ZZ 0.00000 0.00000 0.00002 0.00010 -0.00001 149 4XY 0.00000 0.00000 0.00001 0.00001 0.00000 150 4XZ 0.00000 0.00000 0.00002 0.00013 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00006 0.00000 152 18 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 153 2S 0.00057 0.00000 -0.00003 -0.00003 -0.00007 154 2PX 0.00102 0.00000 -0.00004 0.00007 -0.00016 155 2PY 0.00016 0.00000 -0.00017 -0.00008 -0.00034 156 2PZ 0.00003 0.00000 0.00001 -0.00008 -0.00013 157 3S 0.00077 -0.00001 -0.00010 -0.00115 0.00120 158 3PX 0.00057 0.00003 -0.00090 0.00052 -0.00165 159 3PY 0.00048 0.00012 -0.00335 -0.00153 -0.00361 160 3PZ 0.00000 -0.00001 0.00029 -0.00155 -0.00159 161 4XX -0.00002 0.00000 0.00000 -0.00001 -0.00004 162 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00006 163 4ZZ -0.00001 0.00000 0.00000 0.00002 -0.00002 164 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 166 4YZ 0.00000 0.00000 0.00001 0.00001 0.00006 167 19 H 1S 0.00359 0.00000 -0.00021 -0.00002 -0.00048 168 2S 0.00064 0.00025 -0.00404 -0.00034 -0.00663 169 20 H 1S 0.00004 -0.00228 0.03690 0.00793 0.03847 170 2S 0.00022 -0.00156 0.01879 0.00288 0.02289 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00001 0.00018 0.00049 0.00002 173 22 O 1S 0.00000 0.00000 -0.00007 -0.00042 -0.00007 174 2S 0.00000 -0.00002 0.00123 0.00794 0.00179 175 2PX 0.00001 -0.00023 0.01164 0.01477 0.00636 176 2PY 0.00001 -0.00005 0.00233 0.00492 -0.00073 177 2PZ 0.00000 -0.00013 0.00563 0.02016 0.00360 178 3S 0.00002 0.00037 -0.00405 0.00780 -0.00266 179 3PX 0.00008 -0.00205 0.02127 0.00873 0.00721 180 3PY 0.00013 -0.00079 0.00710 0.00657 -0.00457 181 3PZ -0.00001 -0.00126 0.01049 0.02145 0.00438 182 4XX 0.00000 -0.00006 0.00082 -0.00105 0.00079 183 4YY 0.00000 -0.00001 0.00013 0.00047 0.00000 184 4ZZ 0.00000 -0.00002 0.00024 0.00134 0.00049 185 4XY 0.00000 -0.00007 0.00081 0.00075 0.00022 186 4XZ 0.00000 -0.00016 0.00148 0.00068 0.00040 187 4YZ 0.00000 -0.00005 0.00045 0.00134 0.00014 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 -0.00004 0.00100 0.00005 126 127 128 129 130 126 2PZ 0.37251 127 3S 0.00000 0.29971 128 3PX 0.00000 0.00000 0.12471 129 3PY 0.00000 0.00000 0.00000 0.05430 130 3PZ 0.08662 0.00000 0.00000 0.00000 0.08174 131 4XX 0.00000 -0.00569 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00013 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00315 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00007 0.00024 0.00007 -0.00002 138 2S 0.00001 -0.00077 -0.00342 -0.00115 0.00097 139 2PX -0.00040 -0.00349 -0.00246 -0.00025 -0.00079 140 2PY -0.00024 0.00049 -0.00178 -0.00087 -0.00083 141 2PZ 0.00001 -0.00159 -0.00220 0.00017 0.00003 142 3S -0.00004 0.00114 -0.00718 -0.00271 0.00295 143 3PX -0.00346 -0.00871 0.00157 0.00029 -0.00414 144 3PY -0.00105 0.00058 -0.00176 0.00005 -0.00046 145 3PZ 0.00004 -0.00128 -0.00325 -0.00026 -0.00045 146 4XX 0.00008 -0.00025 0.00049 0.00008 0.00008 147 4YY -0.00003 -0.00017 -0.00061 0.00004 -0.00019 148 4ZZ 0.00001 0.00033 0.00059 -0.00007 0.00004 149 4XY 0.00002 0.00002 -0.00015 -0.00008 -0.00007 150 4XZ 0.00003 0.00006 0.00008 -0.00003 0.00001 151 4YZ 0.00000 0.00002 0.00010 -0.00002 0.00000 152 18 O 1S 0.00000 -0.00013 0.00000 -0.00014 -0.00001 153 2S -0.00003 0.00200 0.00009 0.00147 0.00034 154 2PX -0.00005 -0.00074 0.00019 -0.00020 -0.00007 155 2PY -0.00005 -0.00427 0.00105 -0.00423 0.00087 156 2PZ 0.00003 0.00027 -0.00124 -0.00151 -0.00029 157 3S -0.00084 0.01262 -0.00127 0.00962 -0.00039 158 3PX -0.00102 -0.00356 -0.00142 0.00009 -0.00098 159 3PY -0.00042 -0.01640 0.00199 -0.01058 0.00302 160 3PZ -0.00018 0.00197 -0.00482 -0.00484 -0.00248 161 4XX 0.00002 0.00004 -0.00009 -0.00019 0.00016 162 4YY 0.00001 -0.00062 0.00005 -0.00056 0.00015 163 4ZZ 0.00000 -0.00011 0.00011 -0.00017 -0.00006 164 4XY 0.00000 0.00000 0.00001 0.00010 0.00000 165 4XZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 166 4YZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 167 19 H 1S 0.00001 -0.00438 -0.00015 -0.00396 0.00001 168 2S -0.00022 -0.01600 -0.00044 -0.00968 0.00022 169 20 H 1S 0.05132 0.05109 0.00330 0.01136 0.02349 170 2S 0.03191 0.03020 -0.00079 0.00771 0.02377 171 21 H 1S 0.00000 0.00021 0.00022 -0.00007 0.00011 172 2S 0.00017 0.00178 0.00190 -0.00023 0.00035 173 22 O 1S -0.00030 0.00133 0.00029 -0.00027 0.00044 174 2S 0.00540 -0.02021 -0.00428 0.00287 -0.00588 175 2PX 0.01937 0.00349 0.00051 0.00069 0.00347 176 2PY 0.00370 0.00289 -0.00129 0.00461 0.00029 177 2PZ 0.00308 0.00684 0.00776 0.00155 -0.00120 178 3S 0.00958 -0.06295 -0.01155 0.00244 -0.01075 179 3PX 0.01956 0.00095 -0.00193 -0.00011 0.00196 180 3PY 0.00651 0.00839 -0.00310 0.01104 0.00114 181 3PZ -0.00174 0.01609 0.00885 0.00298 -0.00697 182 4XX 0.00109 0.00153 -0.00127 0.00052 0.00103 183 4YY 0.00044 0.00058 -0.00036 -0.00023 0.00029 184 4ZZ -0.00045 0.00101 0.00207 0.00016 -0.00055 185 4XY 0.00104 0.00017 0.00001 0.00020 0.00006 186 4XZ 0.00008 0.00042 0.00000 0.00004 0.00005 187 4YZ 0.00010 0.00017 0.00020 0.00012 0.00001 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 131 132 133 134 135 131 4XX 0.00257 132 4YY -0.00022 0.00122 133 4ZZ -0.00017 -0.00012 0.00177 134 4XY 0.00000 0.00000 0.00000 0.00157 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00159 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00001 0.00001 0.00002 0.00001 139 2PX 0.00014 -0.00003 0.00003 0.00007 0.00008 140 2PY 0.00003 0.00000 0.00001 0.00000 -0.00001 141 2PZ 0.00005 -0.00001 0.00001 0.00002 0.00002 142 3S 0.00005 -0.00010 0.00006 0.00006 -0.00004 143 3PX 0.00006 -0.00021 0.00050 0.00013 0.00005 144 3PY -0.00002 0.00003 -0.00001 -0.00008 -0.00009 145 3PZ 0.00043 -0.00006 -0.00011 0.00001 0.00000 146 4XX -0.00001 0.00000 0.00001 0.00001 0.00002 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 150 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00000 0.00000 0.00000 154 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 155 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 156 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 157 3S -0.00004 0.00013 -0.00001 -0.00002 -0.00004 158 3PX -0.00006 0.00010 0.00010 0.00006 0.00000 159 3PY -0.00001 0.00038 -0.00004 0.00008 -0.00004 160 3PZ 0.00005 0.00007 -0.00003 0.00006 0.00000 161 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 163 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00001 0.00000 0.00001 0.00000 167 19 H 1S 0.00000 0.00001 0.00001 0.00001 0.00000 168 2S 0.00021 -0.00032 0.00033 0.00001 0.00001 169 20 H 1S -0.00138 -0.00041 0.00210 0.00064 0.00044 170 2S -0.00261 -0.00056 0.00337 0.00014 0.00008 171 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00004 0.00001 -0.00007 -0.00001 -0.00002 173 22 O 1S -0.00004 0.00000 -0.00001 -0.00005 -0.00009 174 2S 0.00111 -0.00019 0.00021 0.00087 0.00166 175 2PX -0.00088 -0.00052 0.00162 0.00035 0.00279 176 2PY 0.00079 0.00017 0.00032 0.00028 0.00123 177 2PZ 0.00394 -0.00025 -0.00069 0.00138 0.00027 178 3S 0.00124 -0.00005 0.00060 0.00101 0.00119 179 3PX -0.00176 -0.00162 0.00391 -0.00001 0.00080 180 3PY 0.00111 -0.00053 0.00066 0.00077 0.00085 181 3PZ 0.00637 -0.00071 -0.00229 0.00089 -0.00001 182 4XX -0.00004 -0.00001 0.00005 0.00002 0.00001 183 4YY 0.00008 -0.00004 0.00003 0.00002 0.00010 184 4ZZ 0.00009 0.00000 -0.00003 0.00002 -0.00002 185 4XY -0.00006 0.00000 0.00004 0.00000 0.00011 186 4XZ -0.00001 -0.00003 0.00000 0.00003 0.00007 187 4YZ 0.00018 0.00000 -0.00003 -0.00002 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 136 137 138 139 140 136 4YZ 0.00181 137 17 C 1S 0.00000 2.04988 138 2S 0.00002 -0.01438 0.34507 139 2PX 0.00005 0.00000 0.00000 0.38994 140 2PY 0.00000 0.00000 0.00000 0.00000 0.29478 141 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00007 -0.02752 0.21127 0.00000 0.00000 143 3PX 0.00004 0.00000 0.00000 0.07401 0.00000 144 3PY -0.00004 0.00000 0.00000 0.00000 0.04063 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00134 -0.00129 0.00000 0.00000 147 4YY 0.00000 -0.00104 -0.00714 0.00000 0.00000 148 4ZZ 0.00000 -0.00144 0.00069 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00000 0.00000 -0.00002 -0.00021 -0.00042 153 2S 0.00000 -0.00001 0.00026 0.00430 0.00845 154 2PX 0.00001 -0.00009 0.00486 0.00280 0.01805 155 2PY 0.00001 -0.00022 0.01278 0.01955 0.02363 156 2PZ 0.00000 -0.00001 0.00044 0.00092 0.00241 157 3S 0.00002 0.00079 -0.01391 0.00530 0.00750 158 3PX 0.00008 -0.00067 0.00714 -0.00185 0.01885 159 3PY 0.00013 -0.00307 0.03008 0.02628 0.01949 160 3PZ -0.00001 -0.00002 -0.00002 0.00031 0.00197 161 4XX 0.00000 -0.00001 0.00015 -0.00040 -0.00013 162 4YY 0.00000 -0.00016 0.00282 0.00333 0.00188 163 4ZZ 0.00000 0.00000 -0.00022 -0.00025 -0.00030 164 4XY 0.00000 -0.00013 0.00151 0.00008 0.00119 165 4XZ 0.00000 0.00000 0.00003 -0.00002 -0.00003 166 4YZ 0.00000 -0.00001 0.00013 0.00010 -0.00003 167 19 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 168 2S 0.00022 0.00000 0.00019 0.00031 0.00014 169 20 H 1S 0.00359 0.00000 0.00000 0.00000 0.00000 170 2S 0.00064 0.00000 0.00019 0.00031 0.00014 171 21 H 1S 0.00000 -0.00195 0.03454 0.00448 0.00000 172 2S 0.00000 -0.00120 0.01835 0.00136 0.00000 173 22 O 1S -0.00003 0.00000 -0.00002 -0.00021 -0.00042 174 2S 0.00057 -0.00001 0.00026 0.00430 0.00845 175 2PX 0.00102 -0.00009 0.00486 0.00280 0.01805 176 2PY 0.00016 -0.00022 0.01278 0.01955 0.02363 177 2PZ 0.00003 -0.00001 0.00045 0.00092 0.00241 178 3S 0.00077 0.00079 -0.01391 0.00530 0.00750 179 3PX 0.00057 -0.00067 0.00714 -0.00185 0.01885 180 3PY 0.00048 -0.00307 0.03008 0.02628 0.01949 181 3PZ 0.00000 -0.00002 -0.00002 0.00031 0.00197 182 4XX -0.00002 -0.00001 0.00015 -0.00040 -0.00013 183 4YY 0.00001 -0.00016 0.00282 0.00333 0.00188 184 4ZZ -0.00001 0.00000 -0.00022 -0.00025 -0.00030 185 4XY -0.00003 -0.00013 0.00151 0.00008 0.00119 186 4XZ 0.00000 0.00000 0.00003 -0.00002 -0.00003 187 4YZ 0.00000 -0.00001 0.00013 0.00010 -0.00003 188 23 H 1S 0.00000 -0.00180 0.03145 0.06352 0.00000 189 2S -0.00001 -0.00075 0.01103 0.03865 0.00000 141 142 143 144 145 141 2PZ 0.46071 142 3S 0.00000 0.23162 143 3PX 0.00000 0.00000 0.05548 144 3PY 0.00000 0.00000 0.00000 0.02776 145 3PZ 0.09174 0.00000 0.00000 0.00000 0.06558 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00789 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00298 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S -0.00003 0.00108 0.00011 -0.00016 0.00004 153 2S 0.00060 -0.01635 -0.00140 0.00080 -0.00043 154 2PX 0.00094 0.00313 -0.00042 0.00862 0.00130 155 2PY 0.00265 0.01024 0.00691 0.00069 0.00105 156 2PZ -0.00034 0.00013 0.00126 0.00081 0.00482 157 3S 0.00095 -0.06101 -0.00427 -0.00379 -0.00150 158 3PX 0.00035 0.00327 -0.00003 0.01216 0.00206 159 3PY 0.00331 0.02318 0.01058 -0.00008 0.00149 160 3PZ -0.00370 -0.00068 0.00206 0.00064 0.01139 161 4XX 0.00004 0.00066 -0.00054 0.00009 -0.00001 162 4YY 0.00040 0.00293 0.00137 0.00025 0.00022 163 4ZZ 0.00005 -0.00014 -0.00020 -0.00002 -0.00005 164 4XY 0.00023 0.00051 0.00003 0.00008 0.00007 165 4XZ 0.00046 -0.00001 0.00001 -0.00003 0.00021 166 4YZ 0.00064 0.00005 0.00004 0.00001 0.00047 167 19 H 1S 0.00000 0.00014 0.00027 0.00014 -0.00003 168 2S 0.00020 0.00130 0.00224 0.00069 -0.00005 169 20 H 1S 0.00000 0.00014 0.00027 0.00014 -0.00003 170 2S 0.00020 0.00130 0.00224 0.00069 -0.00005 171 21 H 1S 0.09812 0.03952 0.00463 0.00000 0.04427 172 2S 0.05860 0.02208 0.00351 0.00000 0.03579 173 22 O 1S -0.00003 0.00108 0.00011 -0.00016 0.00004 174 2S 0.00060 -0.01635 -0.00140 0.00080 -0.00043 175 2PX 0.00095 0.00313 -0.00042 0.00862 0.00130 176 2PY 0.00265 0.01024 0.00691 0.00069 0.00105 177 2PZ -0.00034 0.00013 0.00126 0.00081 0.00482 178 3S 0.00095 -0.06101 -0.00428 -0.00379 -0.00150 179 3PX 0.00035 0.00327 -0.00003 0.01215 0.00207 180 3PY 0.00331 0.02319 0.01058 -0.00008 0.00149 181 3PZ -0.00370 -0.00068 0.00206 0.00064 0.01139 182 4XX 0.00004 0.00066 -0.00054 0.00009 -0.00001 183 4YY 0.00040 0.00293 0.00137 0.00025 0.00022 184 4ZZ 0.00005 -0.00014 -0.00020 -0.00002 -0.00005 185 4XY 0.00023 0.00051 0.00003 0.00008 0.00007 186 4XZ 0.00046 -0.00001 0.00001 -0.00003 0.00021 187 4YZ 0.00064 0.00005 0.00004 0.00001 0.00047 188 23 H 1S 0.03563 0.04236 0.02815 0.00000 0.01370 189 2S 0.02489 0.02201 0.01759 0.00000 0.00988 146 147 148 149 150 146 4XX 0.00243 147 4YY -0.00038 0.00355 148 4ZZ -0.00021 -0.00054 0.00259 149 4XY 0.00000 0.00000 0.00000 0.00351 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00234 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 O 1S 0.00001 -0.00008 0.00000 -0.00009 0.00000 153 2S -0.00014 0.00203 -0.00023 0.00192 0.00007 154 2PX -0.00045 0.00292 -0.00012 0.00030 0.00014 155 2PY 0.00103 -0.00052 -0.00029 0.00429 0.00043 156 2PZ 0.00029 0.00023 0.00016 0.00063 0.00060 157 3S -0.00103 0.00608 -0.00190 0.00162 -0.00005 158 3PX -0.00174 0.00420 -0.00015 0.00001 -0.00003 159 3PY 0.00219 -0.00090 -0.00117 0.00175 0.00027 160 3PZ 0.00082 0.00017 -0.00027 0.00038 0.00127 161 4XX 0.00001 -0.00014 0.00002 0.00000 -0.00001 162 4YY 0.00016 -0.00006 -0.00006 0.00028 0.00007 163 4ZZ -0.00004 -0.00004 0.00004 -0.00007 -0.00001 164 4XY -0.00006 0.00019 -0.00002 0.00001 0.00000 165 4XZ 0.00000 -0.00003 -0.00001 0.00001 -0.00001 166 4YZ 0.00000 0.00002 0.00001 0.00001 0.00006 167 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00003 0.00000 -0.00003 0.00000 -0.00002 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00003 0.00000 -0.00003 0.00000 -0.00002 171 21 H 1S -0.00138 -0.00137 0.00799 0.00000 0.00138 172 2S -0.00404 -0.00220 0.00715 0.00000 0.00041 173 22 O 1S 0.00001 -0.00008 0.00000 -0.00009 0.00000 174 2S -0.00014 0.00203 -0.00023 0.00192 0.00007 175 2PX -0.00045 0.00292 -0.00012 0.00030 0.00014 176 2PY 0.00103 -0.00052 -0.00029 0.00428 0.00043 177 2PZ 0.00029 0.00023 0.00016 0.00063 0.00060 178 3S -0.00103 0.00608 -0.00190 0.00162 -0.00005 179 3PX -0.00174 0.00420 -0.00014 0.00001 -0.00003 180 3PY 0.00219 -0.00089 -0.00117 0.00175 0.00027 181 3PZ 0.00082 0.00017 -0.00027 0.00038 0.00127 182 4XX 0.00001 -0.00014 0.00002 0.00000 -0.00001 183 4YY 0.00016 -0.00006 -0.00006 0.00028 0.00007 184 4ZZ -0.00004 -0.00004 0.00004 -0.00007 -0.00001 185 4XY -0.00006 0.00019 -0.00002 0.00001 0.00000 186 4XZ 0.00000 -0.00003 -0.00001 0.00001 -0.00001 187 4YZ 0.00000 0.00002 0.00001 0.00001 0.00006 188 23 H 1S 0.00401 -0.00149 -0.00044 0.00000 0.00466 189 2S 0.00634 -0.00354 -0.00224 0.00000 0.00131 151 152 153 154 155 151 4YZ 0.00183 152 18 O 1S -0.00001 2.07561 153 2S 0.00021 -0.04155 0.50274 154 2PX 0.00065 0.00000 0.00000 0.61893 155 2PY 0.00050 0.00000 0.00000 0.00000 0.66749 156 2PZ 0.00100 0.00000 0.00000 0.00000 0.00000 157 3S 0.00003 -0.04121 0.45390 0.00000 0.00000 158 3PX 0.00046 0.00000 0.00000 0.18662 0.00000 159 3PY 0.00018 0.00000 0.00000 0.00000 0.21362 160 3PZ 0.00210 0.00000 0.00000 0.00000 0.00000 161 4XX -0.00002 -0.00054 -0.00044 0.00000 0.00000 162 4YY 0.00003 -0.00042 -0.00460 0.00000 0.00000 163 4ZZ -0.00001 -0.00043 -0.00427 0.00000 0.00000 164 4XY 0.00005 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00011 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00000 0.00000 -0.00005 -0.00002 -0.00001 168 2S -0.00001 0.00013 -0.00188 -0.00014 -0.00015 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S -0.00001 0.00000 0.00002 0.00009 0.00014 171 21 H 1S 0.00000 0.00000 -0.00006 0.00000 -0.00004 172 2S 0.00000 0.00008 -0.00109 0.00071 -0.00113 173 22 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 174 2S 0.00021 0.00000 0.00000 0.00000 -0.00001 175 2PX 0.00065 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00050 0.00000 -0.00001 0.00000 -0.00010 177 2PZ 0.00100 0.00000 0.00000 0.00000 0.00000 178 3S 0.00003 -0.00001 0.00034 0.00000 -0.00120 179 3PX 0.00046 0.00000 0.00000 0.00018 0.00000 180 3PY 0.00019 0.00003 -0.00069 0.00000 -0.00639 181 3PZ 0.00210 0.00000 0.00000 0.00000 0.00000 182 4XX -0.00002 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00003 0.00000 0.00000 0.00000 0.00002 184 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00005 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00011 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 -0.00004 -0.00022 -0.00003 189 2S 0.00000 0.00001 -0.00042 -0.00591 -0.00110 156 157 158 159 160 156 2PZ 0.74389 157 3S 0.00000 0.76065 158 3PX 0.00000 0.00000 0.23557 159 3PY 0.00000 0.00000 0.00000 0.27449 160 3PZ 0.24767 0.00000 0.00000 0.00000 0.33563 161 4XX 0.00000 -0.00047 0.00000 0.00000 0.00000 162 4YY 0.00000 -0.01246 0.00000 0.00000 0.00000 163 4ZZ 0.00000 -0.00754 0.00000 0.00000 0.00000 164 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S -0.00014 -0.00231 0.00014 -0.00014 -0.00334 168 2S -0.00395 -0.01051 0.00252 -0.00045 -0.01531 169 20 H 1S 0.00000 0.00001 0.00002 0.00003 0.00001 170 2S -0.00001 -0.00002 0.00085 0.00113 -0.00016 171 21 H 1S -0.00019 -0.00220 0.00067 -0.00045 -0.00420 172 2S -0.00457 -0.00660 0.00501 -0.00347 -0.01727 173 22 O 1S 0.00000 -0.00001 0.00000 0.00003 0.00000 174 2S 0.00000 0.00034 0.00000 -0.00069 0.00000 175 2PX 0.00000 0.00000 0.00018 0.00000 0.00000 176 2PY 0.00000 -0.00120 0.00000 -0.00639 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 178 3S 0.00000 0.00560 0.00000 -0.00581 0.00000 179 3PX 0.00000 0.00000 0.00196 0.00000 0.00000 180 3PY 0.00000 -0.00581 0.00000 -0.02512 0.00000 181 3PZ -0.00009 0.00000 0.00000 0.00000 -0.00046 182 4XX 0.00000 0.00000 0.00000 -0.00010 0.00000 183 4YY 0.00000 -0.00029 0.00000 0.00006 0.00000 184 4ZZ 0.00000 0.00001 0.00000 -0.00002 0.00000 185 4XY 0.00000 0.00000 0.00004 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 188 23 H 1S -0.00004 -0.00132 -0.00548 -0.00051 -0.00094 189 2S -0.00125 0.00071 -0.02470 -0.00359 -0.00542 161 162 163 164 165 161 4XX 0.00074 162 4YY -0.00009 0.00293 163 4ZZ 0.00001 -0.00010 0.00115 164 4XY 0.00000 0.00000 0.00000 0.00154 165 4XZ 0.00000 0.00000 0.00000 0.00000 0.00055 166 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 H 1S 0.00002 0.00000 0.00005 0.00001 0.00005 168 2S 0.00006 0.00015 0.00026 0.00002 0.00006 169 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00002 0.00000 0.00000 0.00000 171 21 H 1S 0.00001 0.00000 0.00005 0.00001 0.00006 172 2S -0.00005 -0.00021 0.00068 0.00002 0.00016 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 174 2S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 176 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 177 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 178 3S 0.00000 -0.00029 0.00001 0.00000 0.00000 179 3PX 0.00000 0.00000 0.00000 0.00004 0.00000 180 3PY -0.00010 0.00006 -0.00002 0.00000 0.00000 181 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 183 4YY 0.00000 0.00003 0.00000 0.00000 0.00000 184 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00008 0.00000 -0.00001 0.00002 0.00001 189 2S 0.00050 -0.00032 -0.00031 -0.00016 0.00003 166 167 168 169 170 166 4YZ 0.00156 167 19 H 1S 0.00001 0.21512 168 2S 0.00004 0.10465 0.14252 169 20 H 1S 0.00000 0.00000 -0.00011 0.21512 170 2S 0.00000 -0.00011 -0.00002 0.10465 0.14252 171 21 H 1S 0.00003 0.00000 -0.00001 0.00000 -0.00001 172 2S -0.00006 -0.00001 -0.00030 -0.00001 -0.00030 173 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00013 174 2S 0.00000 0.00000 0.00002 -0.00005 -0.00188 175 2PX 0.00000 0.00000 0.00009 -0.00002 -0.00014 176 2PY 0.00000 0.00000 0.00014 -0.00001 -0.00015 177 2PZ 0.00000 0.00000 -0.00001 -0.00014 -0.00395 178 3S 0.00000 0.00001 -0.00002 -0.00231 -0.01051 179 3PX 0.00000 0.00002 0.00085 0.00014 0.00252 180 3PY 0.00000 0.00003 0.00113 -0.00014 -0.00045 181 3PZ -0.00004 0.00001 -0.00016 -0.00334 -0.01531 182 4XX 0.00000 0.00000 0.00000 0.00002 0.00006 183 4YY 0.00000 0.00000 0.00002 0.00000 0.00015 184 4ZZ 0.00000 0.00000 0.00000 0.00005 0.00026 185 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 186 4XZ 0.00000 0.00000 0.00000 0.00005 0.00006 187 4YZ 0.00000 0.00000 0.00000 0.00001 0.00004 188 23 H 1S 0.00000 0.00000 0.00002 0.00000 0.00002 189 2S -0.00002 0.00002 0.00068 0.00002 0.00068 171 172 173 174 175 171 21 H 1S 0.22384 172 2S 0.11189 0.15550 173 22 O 1S 0.00000 0.00008 2.07561 174 2S -0.00006 -0.00109 -0.04155 0.50274 175 2PX 0.00000 0.00071 0.00000 0.00000 0.61893 176 2PY -0.00004 -0.00113 0.00000 0.00000 0.00000 177 2PZ -0.00019 -0.00457 0.00000 0.00000 0.00000 178 3S -0.00220 -0.00660 -0.04121 0.45390 0.00000 179 3PX 0.00067 0.00501 0.00000 0.00000 0.18662 180 3PY -0.00045 -0.00346 0.00000 0.00000 0.00000 181 3PZ -0.00420 -0.01727 0.00000 0.00000 0.00000 182 4XX 0.00001 -0.00005 -0.00054 -0.00044 0.00000 183 4YY 0.00000 -0.00021 -0.00042 -0.00460 0.00000 184 4ZZ 0.00005 0.00068 -0.00043 -0.00427 0.00000 185 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 186 4XZ 0.00006 0.00016 0.00000 0.00000 0.00000 187 4YZ 0.00003 -0.00006 0.00000 0.00000 0.00000 188 23 H 1S -0.00071 -0.01130 0.00000 -0.00004 -0.00022 189 2S -0.01252 -0.04314 0.00001 -0.00042 -0.00591 176 177 178 179 180 176 2PY 0.66748 177 2PZ 0.00000 0.74390 178 3S 0.00000 0.00000 0.76066 179 3PX 0.00000 0.00000 0.00000 0.23556 180 3PY 0.21361 0.00000 0.00000 0.00000 0.27449 181 3PZ 0.00000 0.24768 0.00000 0.00000 0.00000 182 4XX 0.00000 0.00000 -0.00047 0.00000 0.00000 183 4YY 0.00000 0.00000 -0.01246 0.00000 0.00000 184 4ZZ 0.00000 0.00000 -0.00754 0.00000 0.00000 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00003 -0.00004 -0.00132 -0.00548 -0.00051 189 2S -0.00110 -0.00125 0.00071 -0.02470 -0.00360 181 182 183 184 185 181 3PZ 0.33564 182 4XX 0.00000 0.00074 183 4YY 0.00000 -0.00009 0.00293 184 4ZZ 0.00000 0.00001 -0.00010 0.00115 185 4XY 0.00000 0.00000 0.00000 0.00000 0.00154 186 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S -0.00094 0.00008 0.00000 -0.00001 0.00002 189 2S -0.00541 0.00050 -0.00032 -0.00031 -0.00016 186 187 188 189 186 4XZ 0.00055 187 4YZ 0.00000 0.00156 188 23 H 1S 0.00001 0.00000 0.22403 189 2S 0.00003 -0.00002 0.12518 0.21154 Gross orbital populations: 1 1 1 C 1S 1.99196 2 2S 0.70787 3 2PX 0.60697 4 2PY 0.74878 5 2PZ 0.72129 6 3S 0.49776 7 3PX 0.40283 8 3PY 0.20002 9 3PZ 0.21533 10 4XX -0.01975 11 4YY 0.00166 12 4ZZ 0.00313 13 4XY 0.00646 14 4XZ 0.00532 15 4YZ 0.01200 16 2 C 1S 1.99196 17 2S 0.70788 18 2PX 0.60695 19 2PY 0.74878 20 2PZ 0.72130 21 3S 0.49775 22 3PX 0.40283 23 3PY 0.20002 24 3PZ 0.21531 25 4XX -0.01975 26 4YY 0.00166 27 4ZZ 0.00313 28 4XY 0.00646 29 4XZ 0.00532 30 4YZ 0.01200 31 3 C 1S 1.99262 32 2S 0.70375 33 2PX 0.60224 34 2PY 0.72573 35 2PZ 0.69719 36 3S 0.58678 37 3PX 0.33974 38 3PY 0.24542 39 3PZ 0.24616 40 4XX -0.01607 41 4YY 0.01166 42 4ZZ -0.00554 43 4XY 0.00345 44 4XZ 0.00783 45 4YZ 0.00693 46 4 C 1S 1.99218 47 2S 0.68146 48 2PX 0.70887 49 2PY 0.68425 50 2PZ 0.71024 51 3S 0.58577 52 3PX 0.31163 53 3PY 0.27242 54 3PZ 0.30475 55 4XX 0.00442 56 4YY -0.00230 57 4ZZ 0.00462 58 4XY 0.00713 59 4XZ 0.00535 60 4YZ 0.00752 61 5 C 1S 1.99218 62 2S 0.68146 63 2PX 0.70886 64 2PY 0.68425 65 2PZ 0.71024 66 3S 0.58576 67 3PX 0.31162 68 3PY 0.27242 69 3PZ 0.30475 70 4XX 0.00442 71 4YY -0.00230 72 4ZZ 0.00462 73 4XY 0.00713 74 4XZ 0.00536 75 4YZ 0.00752 76 6 C 1S 1.99262 77 2S 0.70375 78 2PX 0.60226 79 2PY 0.72574 80 2PZ 0.69717 81 3S 0.58679 82 3PX 0.33970 83 3PY 0.24543 84 3PZ 0.24618 85 4XX -0.01606 86 4YY 0.01166 87 4ZZ -0.00554 88 4XY 0.00345 89 4XZ 0.00783 90 4YZ 0.00693 91 7 H 1S 0.53326 92 2S 0.34345 93 8 H 1S 0.53326 94 2S 0.34345 95 9 H 1S 0.53316 96 2S 0.34212 97 10 H 1S 0.53342 98 2S 0.33924 99 11 H 1S 0.53342 100 2S 0.33923 101 12 H 1S 0.53316 102 2S 0.34211 103 13 H 1S 0.52925 104 2S 0.32172 105 14 H 1S 0.52925 106 2S 0.32172 107 15 C 1S 1.99220 108 2S 0.70368 109 2PX 0.60644 110 2PY 0.75458 111 2PZ 0.64391 112 3S 0.48906 113 3PX 0.27370 114 3PY 0.17607 115 3PZ 0.24782 116 4XX -0.00673 117 4YY 0.00492 118 4ZZ -0.00147 119 4XY 0.01211 120 4XZ 0.01183 121 4YZ 0.01347 122 16 C 1S 1.99220 123 2S 0.70368 124 2PX 0.60644 125 2PY 0.75457 126 2PZ 0.64392 127 3S 0.48906 128 3PX 0.27370 129 3PY 0.17607 130 3PZ 0.24782 131 4XX -0.00673 132 4YY 0.00492 133 4ZZ -0.00147 134 4XY 0.01211 135 4XZ 0.01183 136 4YZ 0.01347 137 17 C 1S 1.99194 138 2S 0.71161 139 2PX 0.67635 140 2PY 0.53363 141 2PZ 0.77480 142 3S 0.44897 143 3PX 0.18882 144 3PY 0.10121 145 3PZ 0.28842 146 4XX 0.00762 147 4YY 0.00402 148 4ZZ 0.01051 149 4XY 0.02512 150 4XZ 0.01632 151 4YZ 0.01271 152 18 O 1S 1.99235 153 2S 0.89848 154 2PX 0.90463 155 2PY 0.96623 156 2PZ 1.04402 157 3S 1.01130 158 3PX 0.48634 159 3PY 0.56110 160 3PZ 0.60066 161 4XX 0.00299 162 4YY -0.00142 163 4ZZ -0.00756 164 4XY 0.00877 165 4XZ 0.00462 166 4YZ 0.00584 167 19 H 1S 0.52886 168 2S 0.31106 169 20 H 1S 0.52886 170 2S 0.31107 171 21 H 1S 0.54105 172 2S 0.30638 173 22 O 1S 1.99235 174 2S 0.89848 175 2PX 0.90462 176 2PY 0.96622 177 2PZ 1.04404 178 3S 1.01130 179 3PX 0.48634 180 3PY 0.56109 181 3PZ 0.60067 182 4XX 0.00299 183 4YY -0.00141 184 4ZZ -0.00756 185 4XY 0.00877 186 4XZ 0.00462 187 4YZ 0.00584 188 23 H 1S 0.54065 189 2S 0.33332 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.863774 0.513830 -0.040451 -0.030121 -0.024797 0.567558 2 C 0.513830 4.863730 0.567575 -0.024797 -0.030115 -0.040454 3 C -0.040451 0.567575 4.996739 0.371241 -0.035093 -0.023077 4 C -0.030121 -0.024797 0.371241 5.075096 0.329145 -0.035089 5 C -0.024797 -0.030115 -0.035093 0.329145 5.075089 0.371231 6 C 0.567558 -0.040454 -0.023077 -0.035089 0.371231 4.996749 7 H 0.366954 -0.050071 0.005863 -0.000116 0.005622 -0.049077 8 H -0.050071 0.366954 -0.049077 0.005622 -0.000116 0.005863 9 H 0.007059 -0.038390 0.361727 -0.053193 0.005215 0.000197 10 H 0.000899 0.003489 -0.037713 0.356906 -0.028743 0.001628 11 H 0.003490 0.000899 0.001630 -0.028745 0.356914 -0.037704 12 H -0.038391 0.007059 0.000197 0.005215 -0.053191 0.361729 13 H -0.005809 0.001828 0.002204 -0.035156 0.368643 -0.034292 14 H 0.001826 -0.005804 -0.034287 0.368641 -0.035154 0.002207 15 C -0.027139 -0.014274 0.108671 -0.016327 -0.008677 -0.005095 16 C -0.014274 -0.027133 -0.005099 -0.008676 -0.016331 0.108671 17 C 0.002093 0.002092 0.001061 0.000003 0.000003 0.001061 18 O 0.002495 0.001626 -0.020437 0.000367 0.000172 -0.000064 19 H 0.001156 -0.000242 -0.025387 -0.002069 0.000178 0.001566 20 H -0.000241 0.001155 0.001566 0.000177 -0.002063 -0.025382 21 H -0.000027 -0.000027 0.000223 -0.000003 -0.000003 0.000223 22 O 0.001626 0.002492 -0.000063 0.000171 0.000367 -0.020439 23 H 0.000173 0.000173 -0.000104 0.000003 0.000003 -0.000104 7 8 9 10 11 12 1 C 0.366954 -0.050071 0.007059 0.000899 0.003490 -0.038391 2 C -0.050071 0.366954 -0.038390 0.003489 0.000899 0.007059 3 C 0.005863 -0.049077 0.361727 -0.037713 0.001630 0.000197 4 C -0.000116 0.005622 -0.053193 0.356906 -0.028745 0.005215 5 C 0.005622 -0.000116 0.005215 -0.028743 0.356914 -0.053191 6 C -0.049077 0.005863 0.000197 0.001628 -0.037704 0.361729 7 H 0.612039 -0.007056 -0.000146 0.000016 -0.000185 -0.007911 8 H -0.007056 0.612040 -0.007911 -0.000185 0.000016 -0.000146 9 H -0.000146 -0.007911 0.610158 -0.001210 -0.000165 -0.000003 10 H 0.000016 -0.000185 -0.001210 0.625258 -0.011487 -0.000165 11 H -0.000185 0.000016 -0.000165 -0.011487 0.625235 -0.001213 12 H -0.007911 -0.000146 -0.000003 -0.000165 -0.001213 0.610154 13 H -0.000064 -0.000002 -0.000109 0.004712 -0.043448 -0.000541 14 H -0.000002 -0.000064 -0.000543 -0.043451 0.004710 -0.000109 15 C 0.000247 0.000047 -0.008925 -0.005291 0.000464 0.000944 16 C 0.000047 0.000247 0.000944 0.000464 -0.005286 -0.008925 17 C 0.000109 0.000109 -0.000074 -0.000011 -0.000011 -0.000074 18 O -0.000013 0.000454 0.000694 0.000142 -0.000004 -0.000014 19 H 0.000012 -0.000105 0.000007 0.007916 -0.000510 -0.000045 20 H -0.000105 0.000012 -0.000045 -0.000511 0.007909 0.000007 21 H 0.000088 0.000088 0.000003 -0.000001 -0.000001 0.000003 22 O 0.000454 -0.000013 -0.000014 -0.000004 0.000142 0.000694 23 H 0.000002 0.000002 0.000000 0.000001 0.000001 0.000000 13 14 15 16 17 18 1 C -0.005809 0.001826 -0.027139 -0.014274 0.002093 0.002495 2 C 0.001828 -0.005804 -0.014274 -0.027133 0.002092 0.001626 3 C 0.002204 -0.034287 0.108671 -0.005099 0.001061 -0.020437 4 C -0.035156 0.368641 -0.016327 -0.008676 0.000003 0.000367 5 C 0.368643 -0.035154 -0.008677 -0.016331 0.000003 0.000172 6 C -0.034292 0.002207 -0.005095 0.108671 0.001061 -0.000064 7 H -0.000064 -0.000002 0.000247 0.000047 0.000109 -0.000013 8 H -0.000002 -0.000064 0.000047 0.000247 0.000109 0.000454 9 H -0.000109 -0.000543 -0.008925 0.000944 -0.000074 0.000694 10 H 0.004712 -0.043451 -0.005291 0.000464 -0.000011 0.000142 11 H -0.043448 0.004710 0.000464 -0.005286 -0.000011 -0.000004 12 H -0.000541 -0.000109 0.000944 -0.008925 -0.000074 -0.000014 13 H 0.601472 -0.010679 0.000388 0.002106 0.000000 -0.000001 14 H -0.010679 0.601473 0.002106 0.000388 0.000000 -0.000024 15 C 0.000388 0.002106 4.925783 0.511401 -0.062509 0.232660 16 C 0.002106 0.000388 0.511401 4.925773 -0.062510 -0.040895 17 C 0.000000 0.000000 -0.062509 -0.062510 4.653378 0.265671 18 O -0.000001 -0.000024 0.232660 -0.040895 0.265671 8.198844 19 H 0.000014 -0.000275 0.363413 -0.045548 0.005511 -0.034864 20 H -0.000275 0.000014 -0.045547 0.363414 0.005512 0.002095 21 H 0.000000 0.000000 0.005085 0.005083 0.370045 -0.034089 22 O -0.000024 -0.000001 -0.040894 0.232665 0.265666 -0.046007 23 H 0.000000 0.000000 0.005053 0.005054 0.344931 -0.050464 19 20 21 22 23 1 C 0.001156 -0.000241 -0.000027 0.001626 0.000173 2 C -0.000242 0.001155 -0.000027 0.002492 0.000173 3 C -0.025387 0.001566 0.000223 -0.000063 -0.000104 4 C -0.002069 0.000177 -0.000003 0.000171 0.000003 5 C 0.000178 -0.002063 -0.000003 0.000367 0.000003 6 C 0.001566 -0.025382 0.000223 -0.020439 -0.000104 7 H 0.000012 -0.000105 0.000088 0.000454 0.000002 8 H -0.000105 0.000012 0.000088 -0.000013 0.000002 9 H 0.000007 -0.000045 0.000003 -0.000014 0.000000 10 H 0.007916 -0.000511 -0.000001 -0.000004 0.000001 11 H -0.000510 0.007909 -0.000001 0.000142 0.000001 12 H -0.000045 0.000007 0.000003 0.000694 0.000000 13 H 0.000014 -0.000275 0.000000 -0.000024 0.000000 14 H -0.000275 0.000014 0.000000 -0.000001 0.000000 15 C 0.363413 -0.045547 0.005085 -0.040894 0.005053 16 C -0.045548 0.363414 0.005083 0.232665 0.005054 17 C 0.005511 0.005512 0.370045 0.265666 0.344931 18 O -0.034864 0.002095 -0.034089 -0.046007 -0.050464 19 H 0.566937 -0.000242 -0.000316 0.002095 0.000720 20 H -0.000242 0.566941 -0.000316 -0.034868 0.000720 21 H -0.000316 -0.000316 0.603112 -0.034088 -0.067658 22 O 0.002095 -0.034868 -0.034088 8.198857 -0.050464 23 H 0.000720 0.000720 -0.067658 -0.050464 0.685933 Mulliken charges: 1 1 C -0.101611 2 C -0.101596 3 C -0.147908 4 C -0.278297 5 C -0.278296 6 C -0.147907 7 H 0.123295 8 H 0.123295 9 H 0.124723 10 H 0.127342 11 H 0.127348 12 H 0.124725 13 H 0.149031 14 H 0.149026 15 C 0.078419 16 C 0.078419 17 C 0.207940 18 O -0.478346 19 H 0.160079 20 H 0.160072 21 H 0.152574 22 O -0.478351 23 H 0.126026 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.021683 2 C 0.021699 3 C -0.023185 4 C -0.001930 5 C -0.001917 6 C -0.023182 15 C 0.238497 16 C 0.238491 17 C 0.486539 18 O -0.478346 22 O -0.478351 Electronic spatial extent (au): = 1485.1931 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1278 Y= 0.0001 Z= -1.0838 Tot= 1.0913 Quadrupole moment (field-independent basis, Debye-Ang): XX= -63.5584 YY= -66.3032 ZZ= -62.1437 XY= -0.0002 XZ= -2.8251 YZ= -0.0002 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4433 YY= -2.3014 ZZ= 1.8581 XY= -0.0002 XZ= -2.8251 YZ= -0.0002 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -28.7688 YYY= 0.0008 ZZZ= -0.9042 XYY= 4.0794 XXY= 0.0002 XXZ= 0.4503 XZZ= -11.0205 YZZ= -0.0001 YYZ= -2.8067 XYZ= 0.0004 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1039.9192 YYYY= -453.5215 ZZZZ= -374.8310 XXXY= -0.0006 XXXZ= -18.8597 YYYX= 0.0004 YYYZ= -0.0001 ZZZX= -10.3934 ZZZY= 0.0030 XXYY= -281.2274 XXZZ= -255.2342 YYZZ= -134.5026 XXYZ= -0.0022 YYXZ= -1.1869 ZZXY= -0.0001 N-N= 6.491409076013D+02 E-N=-2.463389426232D+03 KE= 4.958692227177D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.168154 29.026227 2 O -19.168148 29.026392 3 O -10.286023 15.888300 4 O -10.237380 15.880865 5 O -10.236773 15.892189 6 O -10.185785 15.881677 7 O -10.185615 15.887771 8 O -10.184999 15.891273 9 O -10.184983 15.885141 10 O -10.169178 15.876564 11 O -10.168688 15.886139 12 O -1.102110 2.290484 13 O -1.006408 2.783785 14 O -0.830583 1.393772 15 O -0.761105 1.732921 16 O -0.735993 1.473516 17 O -0.729959 1.511905 18 O -0.641462 1.871431 19 O -0.607857 1.697260 20 O -0.606735 1.504635 21 O -0.585295 1.405904 22 O -0.528812 1.344173 23 O -0.500664 1.235592 24 O -0.494694 0.988560 25 O -0.470845 1.372445 26 O -0.453101 1.129812 27 O -0.451441 1.558017 28 O -0.439875 1.455842 29 O -0.408475 1.373781 30 O -0.397519 1.222863 31 O -0.388485 1.335385 32 O -0.379538 1.737814 33 O -0.362675 1.576711 34 O -0.351207 2.031270 35 O -0.345831 1.372164 36 O -0.328517 2.080308 37 O -0.322524 1.474218 38 O -0.317250 1.376130 39 O -0.274656 1.485588 40 O -0.196482 1.364418 41 O -0.190504 1.731369 42 V -0.004622 1.485933 43 V 0.015435 1.609541 44 V 0.080999 0.915245 45 V 0.109304 1.687714 46 V 0.112672 1.183804 47 V 0.119647 0.934072 48 V 0.130577 1.027752 49 V 0.133834 1.168623 50 V 0.145653 1.769770 51 V 0.154505 1.476271 52 V 0.169646 1.340404 53 V 0.171656 1.165842 54 V 0.175188 1.480809 55 V 0.180022 1.674127 56 V 0.197237 1.279952 57 V 0.202996 1.210204 58 V 0.212498 2.247331 59 V 0.242896 1.377285 60 V 0.243186 1.426426 61 V 0.247894 1.298375 62 V 0.305769 1.659866 63 V 0.317430 1.461574 64 V 0.328679 1.784326 65 V 0.375842 2.420545 66 V 0.435523 1.974832 67 V 0.470778 1.836028 68 V 0.482679 1.849578 69 V 0.487320 1.723916 70 V 0.505728 1.943431 71 V 0.530407 2.090176 72 V 0.534088 2.107755 73 V 0.546818 2.682754 74 V 0.570175 2.010590 75 V 0.573647 2.105200 76 V 0.582496 1.892869 77 V 0.582918 2.333161 78 V 0.605971 2.037466 79 V 0.626447 1.941508 80 V 0.646687 2.544734 81 V 0.651717 2.585741 82 V 0.680279 2.396456 83 V 0.691784 2.207515 84 V 0.725478 2.419969 85 V 0.738151 2.502923 86 V 0.747117 2.102292 87 V 0.763053 2.595320 88 V 0.804862 2.689991 89 V 0.813031 2.493303 90 V 0.824731 2.636123 91 V 0.835675 2.550299 92 V 0.847804 2.543737 93 V 0.849116 2.717509 94 V 0.859099 2.467671 95 V 0.866604 2.758905 96 V 0.882284 2.477091 97 V 0.888052 2.763380 98 V 0.891083 2.716586 99 V 0.897246 2.420992 100 V 0.904018 2.640457 101 V 0.919500 2.645848 102 V 0.950543 2.581734 103 V 0.962275 2.723129 104 V 0.973365 2.502719 105 V 0.985618 2.701650 106 V 1.011365 2.627028 107 V 1.053417 2.444166 108 V 1.076080 2.863521 109 V 1.120443 2.670110 110 V 1.129658 2.448922 111 V 1.140311 2.491389 112 V 1.148085 2.912546 113 V 1.199606 2.731600 114 V 1.202982 2.410092 115 V 1.251512 2.443002 116 V 1.289942 2.613425 117 V 1.314344 3.089067 118 V 1.329300 2.513660 119 V 1.399932 2.550943 120 V 1.415040 2.593800 121 V 1.441402 2.613760 122 V 1.462971 2.614740 123 V 1.486730 2.665596 124 V 1.533139 2.751261 125 V 1.563798 2.815577 126 V 1.584180 2.784712 127 V 1.629004 2.826487 128 V 1.643998 2.794630 129 V 1.679896 2.875195 130 V 1.732419 2.883815 131 V 1.746858 2.873373 132 V 1.759805 3.108699 133 V 1.792133 3.008172 134 V 1.857994 3.081159 135 V 1.870906 3.167595 136 V 1.893796 3.375239 137 V 1.898637 3.266098 138 V 1.944163 3.272863 139 V 1.961286 3.454054 140 V 1.963132 3.439717 141 V 1.988867 3.731439 142 V 2.013131 3.677718 143 V 2.015454 3.676160 144 V 2.023235 3.500428 145 V 2.059222 3.569037 146 V 2.077806 3.498382 147 V 2.098787 3.469723 148 V 2.113566 3.535431 149 V 2.181272 3.674378 150 V 2.183766 3.631659 151 V 2.237824 3.551384 152 V 2.261883 3.625892 153 V 2.278165 3.580750 154 V 2.279595 3.533929 155 V 2.316261 3.724404 156 V 2.318612 3.591508 157 V 2.372381 3.754094 158 V 2.414586 3.847200 159 V 2.448604 3.809357 160 V 2.459880 3.794950 161 V 2.464074 3.874450 162 V 2.482322 3.840180 163 V 2.510870 4.035281 164 V 2.550447 3.953364 165 V 2.590767 4.382900 166 V 2.633656 4.414793 167 V 2.648726 4.252929 168 V 2.674130 4.230531 169 V 2.691908 4.389555 170 V 2.701501 4.314861 171 V 2.754739 4.306767 172 V 2.767630 4.287690 173 V 2.803430 4.638462 174 V 2.888660 4.501863 175 V 2.896718 4.660021 176 V 2.943392 4.756897 177 V 3.132743 4.935534 178 V 3.137584 4.878482 179 V 4.011916 10.923914 180 V 4.124276 10.774156 181 V 4.127724 10.127382 182 V 4.223126 10.317974 183 V 4.288345 10.231784 184 V 4.360755 10.435574 185 V 4.379885 10.329491 186 V 4.448620 10.394581 187 V 4.509003 10.502733 188 V 4.603246 10.567460 189 V 4.870927 11.529542 Total kinetic energy from orbitals= 4.958692227177D+02 1|1| IMPERIAL COLLEGE-CHWS-277|SP|RB3LYP|6-31G(d)|C9H12O2|GCF14|08-Mar -2017|0||# b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine po p=full gfprint||Title Card Required||0,1|C,0,-2.2600619,0.69659442,0.| C,0,-2.25996683,2.10803282,-0.00009683|C,0,-1.97081589,2.7686132,-1.17 996034|C,0,-0.99106327,2.18092966,-2.17435481|C,0,-0.99098586,0.623270 45,-2.17409529|C,0,-1.97094738,0.03582378,-1.17976855|H,0,-2.70335193, 0.15705858,0.8331472|H,0,-2.70314864,2.64774597,0.83299341|H,0,-2.1096 2706,3.84755886,-1.22863896|H,0,-1.19118465,2.57369386,-3.18033706|H,0 ,-1.19076781,0.23015599,-3.18000495|H,0,-2.10985473,-1.04311577,-1.228 29251|H,0,0.01404809,0.26232672,-1.91559616|H,0,0.01401375,2.54206409, -1.91629254|C,0,-3.82957747,2.09390987,-2.35672266|C,0,-3.82956709,0.7 1051277,-2.35673631|C,0,-5.66121912,1.40219256,-1.25912588|O,0,-4.8710 0612,2.54624686,-1.54995986|H,0,-3.5243277,2.7484753,-3.16157921|H,0,- 3.52433023,0.05600182,-3.16164447|H,0,-5.92915929,1.40215976,-0.198885 36|O,0,-4.87103417,0.25812548,-1.55004482|H,0,-6.56857559,1.40222637,- 1.88894858||Version=EM64W-G09RevD.01|State=1-A|HF=-500.4905865|RMSD=3. 995e-009|Dipole=0.0502907,0.0000401,-0.4263873|Quadrupole=0.3296117,-1 .7110485,1.3814369,-0.0001334,-2.1004036,-0.0001288|PG=C01 [X(C9H12O2) ]||@ HAPPINESS IS NOT HAVING WHAT YOU WANT -- HAPPINESS IS WANTING WHAT YOU HAVE! -- FROM MRS. SEVERN'S DESK Job cpu time: 0 days 0 hours 1 minutes 23.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Wed Mar 08 11:28:21 2017.