/usr/share/psi/efpfrag/benzene.efp is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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Benzene Elec.: 6-31G* Rest: 6-311++G(3df,2p)
COORDINATES (BOHR)
A01C1 1.3168000000 -2.2807000000 0.0000000000 12.0000000 6.0
A02C2 2.6336000000 0.0000000000 0.0000000000 12.0000000 6.0
A03C3 1.3168000000 2.2807000000 0.0000000000 12.0000000 6.0
A04C4 -1.3168000000 2.2807000000 0.0000000000 12.0000000 6.0
A05C5 -2.6336000000 0.0000000000 0.0000000000 12.0000000 6.0
A06C6 -1.3168000000 -2.2807000000 0.0000000000 12.0000000 6.0
A07H7 2.3386000000 -4.0506000000 0.0000000000 1.0078250 1.0
A08H8 4.6772000000 0.0000000000 0.0000000000 1.0078250 1.0
A09H9 2.3386000000 4.0506000000 0.0000000000 1.0078250 1.0
A10H10 -2.3386000000 4.0506000000 0.0000000000 1.0078250 1.0
A11H11 -4.6772000000 0.0000000000 0.0000000000 1.0078250 1.0
A12H12 -2.3386000000 -4.0506000000 0.0000000000 1.0078250 1.0
BO21 1.9752000000 -1.1403500000 0.0000000000 0.0000000 0.0
BO32 1.9752000000 1.1403500000 0.0000000000 0.0000000 0.0
BO43 0.0000000000 2.2807000000 0.0000000000 0.0000000 0.0
BO54 -1.9752000000 1.1403500000 0.0000000000 0.0000000 0.0
BO61 0.0000000000 -2.2807000000 0.0000000000 0.0000000 0.0
BO65 -1.9752000000 -1.1403500000 0.0000000000 0.0000000 0.0
BO71 1.8277000000 -3.1656500000 0.0000000000 0.0000000 0.0
BO82 3.6554000000 0.0000000000 0.0000000000 0.0000000 0.0
BO93 1.8277000000 3.1656500000 0.0000000000 0.0000000 0.0
BO104 -1.8277000000 3.1656500000 0.0000000000 0.0000000 0.0
BO115 -3.6554000000 0.0000000000 0.0000000000 0.0000000 0.0
BO126 -1.8277000000 -3.1656500000 0.0000000000 0.0000000 0.0
STOP
MONOPOLES
A01C1 -5.4858049414 6.00000
A02C2 -5.5081452308 6.00000
A03C3 -5.4858050798 6.00000
A04C4 -5.4858049414 6.00000
A05C5 -5.5081452308 6.00000
A06C6 -5.4858050798 6.00000
A07H7 -0.7262393731 1.00000
A08H8 -0.7262310522 1.00000
A09H9 -0.7262393593 1.00000
A10H10 -0.7262393731 1.00000
A11H11 -0.7262310522 1.00000
A12H12 -0.7262393593 1.00000
BO21 -0.4401414585 0.00000
BO32 -0.4401414404 0.00000
BO43 -0.3481275271 0.00000
BO54 -0.4401414585 0.00000
BO61 -0.3481275271 0.00000
BO65 -0.4401414404 0.00000
BO71 -0.3710386377 0.00000
BO82 -0.3710472676 0.00000
BO93 -0.3710386321 0.00000
BO104 -0.3710386377 0.00000
BO115 -0.3710472676 0.00000
BO126 -0.3710386321 0.00000
STOP
DIPOLES
A01C1 -0.0530423278 0.0918913038 0.0000000000
A02C2 -0.0852124415 0.0000000045 0.0000000000
A03C3 -0.0530423238 -0.0918913065 0.0000000000
A04C4 0.0530423278 -0.0918913038 0.0000000000
A05C5 0.0852124415 -0.0000000045 0.0000000000
A06C6 0.0530423238 0.0918913065 0.0000000000
A07H7 0.0202647250 -0.0351031331 0.0000000000
A08H8 0.0405292336 -0.0000000017 0.0000000000
A09H9 0.0202647235 0.0351031338 0.0000000000
A10H10 -0.0202647250 0.0351031331 0.0000000000
A11H11 -0.0405292336 0.0000000017 0.0000000000
A12H12 -0.0202647235 -0.0351031338 0.0000000000
BO21 0.0630669818 -0.0145256922 0.0000000000
BO32 0.0630669952 0.0145256933 0.0000000000
BO43 -0.0000000065 -0.1153377835 0.0000000000
BO54 -0.0630669818 0.0145256922 0.0000000000
BO61 0.0000000065 0.1153377835 0.0000000000
BO65 -0.0630669952 -0.0145256933 0.0000000000
BO71 -0.1215695968 0.2105679757 0.0000000000
BO82 -0.2431369930 -0.0000000051 0.0000000000
BO93 -0.1215695987 -0.2105679688 0.0000000000
BO104 0.1215695968 -0.2105679757 0.0000000000
BO115 0.2431369930 0.0000000051 0.0000000000
BO126 0.1215695987 0.2105679688 0.0000000000
STOP
QUADRUPOLES
A01C1 -3.3766938487 -3.4858167807 -3.5867408820 0.0945121904 >
0.0000000000 0.0000000000
A02C2 -3.5818982927 -3.3498745387 -3.6355936902 -0.0000000233 >
0.0000000000 0.0000000000
A03C3 -3.3766939721 -3.4858168464 -3.5867410043 -0.0945121870 >
0.0000000000 0.0000000000
A04C4 -3.3766938487 -3.4858167807 -3.5867408820 0.0945121904 >
0.0000000000 0.0000000000
A05C5 -3.5818982927 -3.3498745387 -3.6355936902 -0.0000000233 >
0.0000000000 0.0000000000
A06C6 -3.3766939721 -3.4858168464 -3.5867410043 -0.0945121870 >
0.0000000000 0.0000000000
A07H7 -0.4348005045 -0.4318914850 -0.4370973046 -0.0025197490 >
0.0000000000 0.0000000000
A08H8 -0.4304181132 -0.4362379342 -0.4370800451 0.0000000007 >
0.0000000000 0.0000000000
A09H9 -0.4348004911 -0.4318914728 -0.4370972918 0.0025197493 >
0.0000000000 0.0000000000
A10H10 -0.4348005045 -0.4318914850 -0.4370973046 -0.0025197490 >
0.0000000000 0.0000000000
A11H11 -0.4304181132 -0.4362379342 -0.4370800451 0.0000000007 >
0.0000000000 0.0000000000
A12H12 -0.4348004911 -0.4318914728 -0.4370972918 0.0025197493 >
0.0000000000 0.0000000000
BO21 -0.0741702403 -0.0557099065 -0.6716738470 -0.0195218872 >
0.0000000000 0.0000000000
BO32 -0.0741701895 -0.0557098644 -0.6716737962 0.0195218929 >
0.0000000000 0.0000000000
BO43 0.0649828183 0.4487235213 -0.4297512190 -0.0000000022 >
0.0000000000 0.0000000000
BO54 -0.0741702403 -0.0557099065 -0.6716738470 -0.0195218872 >
0.0000000000 0.0000000000
BO61 0.0649828183 0.4487235213 -0.4297512190 -0.0000000022 >
0.0000000000 0.0000000000
BO65 -0.0741701895 -0.0557098644 -0.6716737962 0.0195218929 >
0.0000000000 0.0000000000
BO71 -0.3057456642 -0.3072347733 -0.3114539558 0.0012893243 >
0.0000000000 0.0000000000
BO82 -0.3079658887 -0.3049861036 -0.3114386166 0.0000000004 >
0.0000000000 0.0000000000
BO93 -0.3057456493 -0.3072347594 -0.3114539415 -0.0012893245 >
0.0000000000 0.0000000000
BO104 -0.3057456642 -0.3072347733 -0.3114539558 0.0012893243 >
0.0000000000 0.0000000000
BO115 -0.3079658887 -0.3049861036 -0.3114386166 0.0000000004 >
0.0000000000 0.0000000000
BO126 -0.3057456493 -0.3072347594 -0.3114539415 -0.0012893245 >
0.0000000000 0.0000000000
STOP
OCTUPOLES
A01C1 -0.1466616732 0.4778485174 0.0000000000 0.1592716011 >
0.0000000000 -0.2211126074 0.0000000000 -0.0589508223 >
0.1021257269 0.0000000000
A02C2 -0.6118259997 0.0000000138 0.0000000000 0.0000000042 >
0.0000000000 -0.0307035771 0.0000000000 -0.0660726041 >
0.0000000044 0.0000000000
A03C3 -0.1466616623 -0.4778485365 0.0000000000 -0.1592716086 >
0.0000000000 -0.2211126114 0.0000000000 -0.0589508209 >
-0.1021257342 0.0000000000
A04C4 0.1466616732 -0.4778485174 0.0000000000 -0.1592716011 >
0.0000000000 0.2211126074 0.0000000000 0.0589508223 >
-0.1021257269 0.0000000000
A05C5 0.6118259997 -0.0000000138 0.0000000000 -0.0000000042 >
0.0000000000 0.0307035771 0.0000000000 0.0660726041 >
-0.0000000044 0.0000000000
A06C6 0.1466616623 0.4778485365 0.0000000000 0.1592716086 >
0.0000000000 0.2211126114 0.0000000000 0.0589508209 >
0.1021257342 0.0000000000
A07H7 0.0292762062 -0.0457414282 0.0000000000 -0.0152472772 >
0.0000000000 0.0059310665 0.0000000000 0.0104282151 >
-0.0180642127 0.0000000000
A08H8 0.0499386017 -0.0000000030 0.0000000000 -0.0000000013 >
0.0000000000 0.0204736496 0.0000000000 0.0208558239 >
-0.0000000010 0.0000000000
A09H9 0.0292762031 0.0457414297 0.0000000000 0.0152472774 >
0.0000000000 0.0059310655 0.0000000000 0.0104282141 >
0.0180642131 0.0000000000
A10H10 -0.0292762062 0.0457414282 0.0000000000 0.0152472772 >
0.0000000000 -0.0059310665 0.0000000000 -0.0104282151 >
0.0180642127 0.0000000000
A11H11 -0.0499386017 0.0000000030 0.0000000000 0.0000000013 >
0.0000000000 -0.0204736496 0.0000000000 -0.0208558239 >
0.0000000010 0.0000000000
A12H12 -0.0292762031 -0.0457414297 0.0000000000 -0.0152472774 >
0.0000000000 -0.0059310655 0.0000000000 -0.0104282141 >
-0.0180642131 0.0000000000
BO21 0.4191789545 -0.1149363636 0.0000000000 -0.0588968865 >
0.0000000000 0.1286827502 0.0000000000 0.0848584068 >
-0.0046478128 0.0000000000
BO32 0.4191790266 0.1149363812 0.0000000000 0.0588968887 >
0.0000000000 0.1286827723 0.0000000000 0.0848584280 >
0.0046478160 0.0000000000
BO43 -0.0000000270 -1.1377752220 0.0000000000 -0.1387811600 >
0.0000000000 -0.0000000063 0.0000000000 -0.0000000061 >
-0.4098060038 0.0000000000
BO54 -0.4191789545 0.1149363636 0.0000000000 0.0588968865 >
0.0000000000 -0.1286827502 0.0000000000 -0.0848584068 >
0.0046478128 0.0000000000
BO61 0.0000000270 1.1377752220 0.0000000000 0.1387811600 >
0.0000000000 0.0000000063 0.0000000000 0.0000000061 >
0.4098060038 0.0000000000
BO65 -0.4191790266 -0.1149363812 0.0000000000 -0.0588968887 >
0.0000000000 -0.1286827723 0.0000000000 -0.0848584280 >
-0.0046478160 0.0000000000
BO71 -0.4316037772 0.7521170818 0.0000000000 0.2507054867 >
0.0000000000 -0.1473723098 0.0000000000 -0.1448705463 >
0.2509248220 0.0000000000
BO82 -0.8710410556 -0.0000000238 0.0000000000 -0.0000000078 >
0.0000000000 -0.2868425911 0.0000000000 -0.2897237074 >
-0.0000000080 0.0000000000
BO93 -0.4316037834 -0.7521170451 0.0000000000 -0.2507054743 >
0.0000000000 -0.1473723120 0.0000000000 -0.1448705485 >
-0.2509248098 0.0000000000
BO104 0.4316037772 -0.7521170818 0.0000000000 -0.2507054867 >
0.0000000000 0.1473723098 0.0000000000 0.1448705463 >
-0.2509248220 0.0000000000
BO115 0.8710410556 0.0000000238 0.0000000000 0.0000000078 >
0.0000000000 0.2868425911 0.0000000000 0.2897237074 >
0.0000000080 0.0000000000
BO126 0.4316037834 0.7521170451 0.0000000000 0.2507054743 >
0.0000000000 0.1473723120 0.0000000000 0.1448705485 >
0.2509248098 0.0000000000
STOP
POLARIZABLE POINTS
CT1 2.0025181086 1.1561235689 0.0000000227
1.9088034751 2.3011557339 0.5061147415 -0.3411353842 >
0.0000000435 0.0000000393 -0.3398841817 -0.0000000102 >
0.0000000154
CT2 -2.0025181102 1.1561235696 0.0000000225
1.9083098837 2.3020696677 0.5061147454 0.3399467856 >
-0.0000000503 0.0000000231 0.3410137370 0.0000000065 >
0.0000000118
CT3 0.0000000006 -2.3122309470 0.0000000321
2.4970123181 1.7119745299 0.5061450701 -0.0001668644 >
-0.0000000276 -0.0000000804 0.0013564642 -0.0000000056 >
0.0000000046
CT4 1.7566396738 -1.0141600423 0.5410616949
8.4317108268 7.7514840371 5.5026477509 -0.5899038616 >
0.9472217858 -0.5469388317 -0.5876234286 -0.0255090893 >
0.0147176462
CT5 -1.7566396464 -1.0141600798 0.5410616960
8.4318976215 7.7511367120 5.5026478038 0.5882038992 >
-0.9472249690 -0.5469076561 0.5902729997 0.0255090451 >
0.0147177250
CT6 2.0164194687 3.4846471387 0.0000000016
2.9135364886 4.9677522027 1.7646767646 1.8104301119 >
0.0000000070 0.0000000127 1.8146331642 -0.0000000048 >
0.0000000026
CT7 4.0260149967 0.0039421523 0.0000000003
6.0226008854 1.8573373779 1.7645515670 0.0181397895 >
0.0000000030 0.0000000023 0.0134816262 0.0000000051 >
0.0000000067
CT8 -0.0000000255 2.0283118808 0.5410612666
7.4113708630 8.7719416228 5.5028273063 -0.0006882286 >
0.0000032059 1.0938614800 0.0016257851 0.0000000388 >
-0.0294815168
CT9 -2.0164194680 3.4846471382 0.0000000015
2.9129175069 4.9688929439 1.7646767689 -1.8099433607 >
-0.0000000036 0.0000000147 -1.8142190545 0.0000000050 >
-0.0000000002
CT10 -2.0095914887 -3.4885891429 0.0000000020
2.8852130241 4.9960650680 1.7646764695 1.7982326082 >
-0.0000000080 -0.0000000143 1.7941193759 -0.0000000093 >
-0.0000000096
CT11 1.7566396379 -1.0141600149 -0.5410617274
8.4317115626 7.7514846290 5.5026483409 -0.5899039877 >
-0.9472216732 0.5469387988 -0.5876235544 0.0255090933 >
-0.0147176249
CT12 -4.0260149968 0.0039421522 0.0000000018
6.0226085293 1.8573375813 1.7645515636 -0.0187250582 >
-0.0000000144 -0.0000000017 -0.0150674226 -0.0000000056 >
0.0000000053
CT13 2.0095914888 -3.4885891415 0.0000000002
2.8845979774 4.9972270140 1.7646764708 -1.7977524871 >
0.0000000003 0.0000000001 -1.7937172992 0.0000000046 >
-0.0000000063
CT14 -0.0000000232 2.0283118345 -0.5410612916
7.4113715575 8.7719426409 5.5028280192 -0.0006882260 >
-0.0000032012 -1.0938614112 0.0016257862 -0.0000000486 >
0.0294815504
CT15 -1.7566396153 -1.0141600621 -0.5410617231
8.4318982538 7.7511372336 5.5026482968 0.5882040056 >
0.9472249013 0.5469076245 0.5902731068 -0.0255090554 >
-0.0147176944
STOP
DYNAMIC POLARIZABLE POINTS
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.002792I A.U.
1.9086162360 2.3027803261 0.5061913977 -0.3413477143 >
0.0000000434 0.0000000393 -0.3413195165 -0.0000000019 >
0.0000000000
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9086162360 2.3027803275 0.5061914024 0.3413477194 >
-0.0000000503 0.0000000231 0.3413195184 0.0000000015 >
-0.0000000010
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.4999400009 1.7116324684 0.5062204777 0.0000000134 >
-0.0000000275 -0.0000000804 0.0000000077 -0.0000000018 >
0.0000000023
CT 4 1.7566396738 -1.0141600423 0.5410616949
8.4297594919 7.7496572634 5.5016400445 -0.5893633954 >
0.9465544711 -0.5465050520 -0.5890169906 -0.0255321988 >
0.0147303546
CT 5 -1.7566396464 -1.0141600798 0.5410616960
8.4297594540 7.7496573674 5.5016400984 0.5893634185 >
-0.9465544976 -0.5465049483 0.5890170601 0.0255321801 >
0.0147304005
CT 6 2.0164194687 3.4846471387 0.0000000016
2.9136894687 4.9658984080 1.7652222432 1.8078943348 >
0.0000000070 0.0000000127 1.8119912950 0.0000000031 >
0.0000000058
CT 7 4.0260149967 0.0039421523 0.0000000003
6.0196387084 1.8591601669 1.7650988584 0.0184450335 >
0.0000000030 0.0000000023 0.0142979046 0.0000000014 >
0.0000000009
CT 8 -0.0000000255 2.0283118808 0.5410612666
7.4102858513 8.7704087264 5.5018186829 -0.0000000370 >
0.0000000399 1.0930260279 -0.0000000504 0.0000000258 >
-0.0295085968
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.9136894715 4.9658984584 1.7652222476 -1.8078943453 >
-0.0000000036 0.0000000147 -1.8119913236 -0.0000000017 >
0.0000000065
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.8853302711 4.9942555027 1.7652219464 1.7956680772 >
-0.0000000080 -0.0000000143 1.7914715700 -0.0000000036 >
-0.0000000064
CT 11 1.7566396379 -1.0141600149 -0.5410617274
8.4297602273 7.7496578550 5.5016406345 -0.5893635216 >
-0.9465543586 0.5465050191 -0.5890171167 0.0255322106 >
-0.0147303628
CT 12 -4.0260149968 0.0039421522 0.0000000018
6.0196387140 1.8591601593 1.7650988562 -0.0184450313 >
-0.0000000144 -0.0000000017 -0.0142979067 -0.0000000066 >
-0.0000000007
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.8853302767 4.9942555238 1.7652219475 -1.7956680860 >
0.0000000003 0.0000000001 -1.7914716141 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
7.4102865453 8.7704097443 5.5018193956 -0.0000000344 >
-0.0000000352 -1.0930259592 -0.0000000494 -0.0000000258 >
0.0295085991
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
8.4297600861 7.7496578887 5.5016405912 0.5893635252 >
0.9465544299 0.5465049168 0.5890171673 -0.0255321829 >
-0.0147304019
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.015107I A.U.
1.9097496703 2.3052692808 0.5067139093 -0.3425212144 >
0.0000000433 0.0000000391 -0.3424934391 -0.0000000018 >
0.0000000001
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9097496704 2.3052692823 0.5067139140 0.3425212197 >
-0.0000000501 0.0000000230 0.3424934411 0.0000000014 >
-0.0000000010
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.5031074928 1.7120882710 0.5067429823 0.0000000134 >
-0.0000000275 -0.0000000801 0.0000000078 -0.0000000018 >
0.0000000022
CT 4 1.7566396738 -1.0141600423 0.5410616949
8.4106037619 7.7320572913 5.4948019309 -0.5880123731 >
0.9433451748 -0.5446523919 -0.5876698107 -0.0245067081 >
0.0141382591
CT 5 -1.7566396464 -1.0141600798 0.5410616960
8.4106037240 7.7320573951 5.4948019847 0.5880123969 >
-0.9433452012 -0.5446522885 0.5876698806 0.0245066895 >
0.0141383048
CT 6 2.0164194687 3.4846471387 0.0000000016
2.9136709895 4.9623715075 1.7647202002 1.8048901812 >
0.0000000070 0.0000000127 1.8089681194 0.0000000031 >
0.0000000058
CT 7 4.0260149967 0.0039421523 0.0000000003
6.0143803047 1.8608743844 1.7645969273 0.0184478343 >
0.0000000030 0.0000000023 0.0143199333 0.0000000014 >
0.0000000009
CT 8 -0.0000000255 2.0283118808 0.5410612666
7.3934596578 8.7504712968 5.4949799883 -0.0000000368 >
0.0000000398 1.0893197761 -0.0000000501 0.0000000256 >
-0.0283243641
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.9136709924 4.9623715579 1.7647202047 -1.8048901918 >
-0.0000000036 0.0000000147 -1.8089681478 -0.0000000017 >
0.0000000065
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.8852902795 4.9907501089 1.7647199035 1.7926322840 >
-0.0000000080 -0.0000000142 1.7884552049 -0.0000000036 >
-0.0000000064
CT 11 1.7566396379 -1.0141600149 -0.5410617274
8.4106044949 7.7320578805 5.4948025200 -0.5880124993 >
-0.9433450625 0.5446523590 -0.5876699368 0.0245067200 >
-0.0141382673
CT 12 -4.0260149968 0.0039421522 0.0000000018
6.0143803103 1.8608743768 1.7645969251 -0.0184478321 >
-0.0000000144 -0.0000000017 -0.0143199356 -0.0000000066 >
-0.0000000007
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.8852902851 4.9907501302 1.7647199046 -1.7926322929 >
0.0000000003 0.0000000001 -1.7884552489 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
7.3934603489 8.7504723117 5.4949807000 -0.0000000342 >
-0.0000000351 -1.0893197076 -0.0000000491 -0.0000000256 >
0.0283243664
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
8.4106043541 7.7320579143 5.4948024768 0.5880125035 >
0.9433451337 0.5446522570 0.5876699878 -0.0245066924 >
-0.0141383062
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.039002I A.U.
1.9161387090 2.3194030349 0.5097315488 -0.3492259461 >
0.0000000424 0.0000000384 -0.3492005932 -0.0000000015 >
0.0000000003
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9161387092 2.3194030362 0.5097315535 0.3492259509 >
-0.0000000492 0.0000000225 0.3492005951 0.0000000011 >
-0.0000000009
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.5211180328 1.7146056908 0.5097605960 0.0000000133 >
-0.0000000270 -0.0000000786 0.0000000074 -0.0000000019 >
0.0000000017
CT 4 1.7566396738 -1.0141600423 0.5410616949
8.3003729639 7.6307927393 5.4551943646 -0.5802263483 >
0.9249177424 -0.5340145708 -0.5799055255 -0.0186194970 >
0.0107391425
CT 5 -1.7566396464 -1.0141600798 0.5410616960
8.3003729264 7.6307928420 5.4551944179 0.5802263711 >
-0.9249177684 -0.5340144689 0.5799055937 0.0186194785 >
0.0107391877
CT 6 2.0164194687 3.4846471387 0.0000000016
2.9133836451 4.9418157783 1.7617814260 1.7875318325 >
0.0000000069 0.0000000125 1.7915007019 0.0000000031 >
0.0000000057
CT 7 4.0260149967 0.0039421523 0.0000000003
5.9838192085 1.8705993433 1.7616587818 0.0184630451 >
0.0000000030 0.0000000023 0.0144454096 0.0000000014 >
0.0000000009
CT 8 -0.0000000255 2.0283118808 0.5410612666
7.2966549749 8.6357356942 5.4553690907 -0.0000000378 >
0.0000000390 1.0680389248 -0.0000000502 0.0000000254 >
-0.0215258321
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.9133836478 4.9418158282 1.7617814303 -1.7875318429 >
-0.0000000036 0.0000000144 -1.7915007298 -0.0000000017 >
0.0000000064
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.8848810426 4.9703162397 1.7617811301 1.7750933454 >
-0.0000000079 -0.0000000140 1.7710276932 -0.0000000036 >
-0.0000000063
CT 11 1.7566396379 -1.0141600149 -0.5410617274
8.3003736831 7.6307933149 5.4551949485 -0.5802264744 >
-0.9249176319 0.5340145385 -0.5799056515 0.0186195091 >
-0.0107391507
CT 12 -4.0260149968 0.0039421522 0.0000000018
5.9838192140 1.8705993358 1.7616587797 -0.0184630435 >
-0.0000000142 -0.0000000017 -0.0144454115 -0.0000000065 >
-0.0000000007
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.8848810480 4.9703162606 1.7617811313 -1.7750933542 >
0.0000000003 0.0000000001 -1.7710277365 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
7.2966556494 8.6357366922 5.4553697962 -0.0000000352 >
-0.0000000343 -1.0680388575 -0.0000000492 -0.0000000253 >
0.0215258347
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
8.3003735446 7.6307933494 5.4551949056 0.5802264777 >
0.9249177020 0.5340144379 0.5799057009 -0.0186194816 >
-0.0107391892
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.077996I A.U.
1.9354369504 2.3634335894 0.5197642071 -0.3706379483 >
0.0000000397 0.0000000361 -0.3706198292 -0.0000000006 >
0.0000000010
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9354369521 2.3634335906 0.5197642118 0.3706379551 >
-0.0000000461 0.0000000210 0.3706198317 0.0000000001 >
-0.0000000004
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.5775284165 1.7215394559 0.5197931667 0.0000000134 >
-0.0000000256 -0.0000000736 0.0000000076 -0.0000000022 >
0.0000000001
CT 4 1.7566396738 -1.0141600423 0.5410616949
7.9383385422 7.2983780851 5.3218968978 -0.5545115233 >
0.8649005256 -0.4993671920 -0.5542558937 0.0005350597 >
-0.0003201688
CT 5 -1.7566396464 -1.0141600798 0.5410616960
7.9383385055 7.2983781841 5.3218969495 0.5545115529 >
-0.8649005509 -0.4993670952 0.5542559620 -0.0005350775 >
-0.0003201253
CT 6 2.0164194687 3.4846471387 0.0000000016
2.9101534090 4.8710250636 1.7514959103 1.7296320874 >
0.0000000066 0.0000000119 1.7332473744 0.0000000030 >
0.0000000056
CT 7 4.0260149967 0.0039421523 0.0000000003
5.8796477070 1.9007730912 1.7513754174 0.0185015003 >
0.0000000028 0.0000000021 0.0148411855 0.0000000014 >
0.0000000009
CT 8 -0.0000000255 2.0283118808 0.5410612666
6.9789791252 8.2588254731 5.3220608071 -0.0000000361 >
0.0000000369 0.9987288313 -0.0000000478 0.0000000245 >
0.0005937380
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.9101534129 4.8710251129 1.7514959145 -1.7296320986 >
-0.0000000035 0.0000000137 -1.7332474002 -0.0000000016 >
0.0000000062
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.8812745937 4.8999016436 1.7514956175 1.7166192204 >
-0.0000000075 -0.0000000134 1.7129145273 -0.0000000035 >
-0.0000000061
CT 11 1.7566396379 -1.0141600149 -0.5410617274
7.9383392162 7.2983786163 5.3218974644 -0.5545116493 >
-0.8649004209 0.4993671613 -0.5542560196 -0.0005350465 >
0.0003201607
CT 12 -4.0260149968 0.0039421522 0.0000000018
5.8796477123 1.9007730838 1.7513754154 -0.0185014987 >
-0.0000000135 -0.0000000016 -0.0148411875 -0.0000000063 >
-0.0000000007
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.8812746000 4.8999016647 1.7514956188 -1.7166192301 >
0.0000000002 0.0000000001 -1.7129145679 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
6.9789797454 8.2588264157 5.3220614919 -0.0000000337 >
-0.0000000325 -0.9987287677 -0.0000000469 -0.0000000244 >
-0.0005937345
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
7.9383390849 7.2983786529 5.3218974226 0.5545116592 >
0.8649004881 0.4993670660 0.5542560689 0.0005350736 >
0.0003201233
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.138651I A.U.
1.9691273647 2.4505631055 0.5440530957 -0.4169072774 >
0.0000000333 0.0000000307 -0.4169022727 0.0000000015 >
0.0000000026
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9691273679 2.4505631060 0.5440531004 0.4169072831 >
-0.0000000389 0.0000000176 0.4169022756 -0.0000000022 >
0.0000000008
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.6914046310 1.7285100002 0.5440818202 0.0000000126 >
-0.0000000223 -0.0000000620 0.0000000069 -0.0000000030 >
-0.0000000036
CT 4 1.7566396738 -1.0141600423 0.5410616949
7.0828255300 6.5140071814 4.9851469879 -0.4927819881 >
0.7265421671 -0.4194913984 -0.4926468972 0.0444641517 >
-0.0256835226
CT 5 -1.7566396464 -1.0141600798 0.5410616960
7.0828254948 6.5140072712 4.9851470357 0.4927820169 >
-0.7265421894 -0.4194913132 0.4926469602 -0.0444641681 >
-0.0256834826
CT 6 2.0164194687 3.4846471387 0.0000000016
2.8863954812 4.6808410928 1.7225974208 1.5867292384 >
0.0000000058 0.0000000105 1.5895421284 0.0000000028 >
0.0000000052
CT 7 4.0260149967 0.0039421523 0.0000000003
5.6070253454 1.9595117236 1.7224826126 0.0185098240 >
0.0000000025 0.0000000017 0.0156596368 0.0000000013 >
0.0000000008
CT 8 -0.0000000255 2.0283118808 0.5410612666
6.2300398014 7.3676140761 4.9852860789 -0.0000000385 >
0.0000000314 0.8389505229 -0.0000000447 0.0000000224 >
0.0513225447
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.8863954848 4.6808411391 1.7225974245 -1.5867292495 >
-0.0000000033 0.0000000120 -1.5895421498 -0.0000000015 >
0.0000000058
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.8568003984 4.7104337958 1.7225971367 1.5724929673 >
-0.0000000066 -0.0000000118 1.5696059562 -0.0000000032 >
-0.0000000057
CT 11 1.7566396379 -1.0141600149 -0.5410617274
7.0828260987 6.5140076101 4.9851475108 -0.4927821130 >
-0.7265420759 0.4194913714 -0.4926470221 -0.0444641360 >
0.0256835145
CT 12 -4.0260149968 0.0039421522 0.0000000018
5.6070253503 1.9595117167 1.7224826108 -0.0185098255 >
-0.0000000119 -0.0000000013 -0.0156596379 -0.0000000059 >
-0.0000000006
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.8568004038 4.7104338161 1.7225971383 -1.5724929773 >
0.0000000002 0.0000000001 -1.5696059912 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
6.2300402967 7.3676148890 4.9852867116 -0.0000000365 >
-0.0000000276 -0.8389504679 -0.0000000440 -0.0000000222 >
-0.0513225389
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
7.0828259840 6.5140076510 4.9851474721 0.4927821222 >
0.7265421352 0.4194912879 0.4926470659 0.0444641621 >
0.0256834797
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.233223I A.U.
1.9728319949 2.5234095346 0.5857577555 -0.4767834668 >
0.0000000230 0.0000000219 -0.4767907265 0.0000000048 >
0.0000000051
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.9728320017 2.5234095335 0.5857577603 0.4767834747 >
-0.0000000273 0.0000000121 0.4767907296 -0.0000000058 >
0.0000000026
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.7988516002 1.6976311384 0.5857858594 0.0000000117 >
-0.0000000167 -0.0000000432 0.0000000053 -0.0000000043 >
-0.0000000095
CT 4 1.7566396738 -1.0141600423 0.5410616949
5.6044673980 5.1631015864 4.3140614815 -0.3822797454 >
0.5022322246 -0.2899877883 -0.3822664820 0.1134461532 >
-0.0655112329
CT 5 -1.7566396464 -1.0141600798 0.5410616960
5.6044673641 5.1631016589 4.3140615215 0.3822797807 >
-0.5022322417 -0.2899877233 0.3822665337 -0.1134461674 >
-0.0655111983
CT 6 2.0164194687 3.4846471387 0.0000000016
2.7720540869 4.2506022473 1.6501999180 1.3142627369 >
0.0000000045 0.0000000080 1.3158433225 0.0000000024 >
0.0000000045
CT 7 4.0260149967 0.0039421523 0.0000000003
5.0193769077 2.0026968080 1.6500975919 0.0181327502 >
0.0000000019 0.0000000011 0.0165255651 0.0000000011 >
0.0000000008
CT 8 -0.0000000255 2.0283118808 0.5410612666
4.9426925229 5.8253807286 4.3141602571 -0.0000000348 >
0.0000000231 0.5799218082 -0.0000000397 0.0000000191 >
0.1309817029
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.7720540919 4.2506022865 1.6501999209 -1.3142627486 >
-0.0000000029 0.0000000090 -1.3158433367 -0.0000000013 >
0.0000000051
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.7420355668 4.2806183940 1.6501996569 1.2985391918 >
-0.0000000051 -0.0000000090 1.2969057215 -0.0000000028 >
-0.0000000050
CT 11 1.7566396379 -1.0141600149 -0.5410617274
5.6044677920 5.1631018487 4.3140619181 -0.3822798648 >
-0.5022321563 0.2899877678 -0.3822666014 -0.1134461334 >
0.0655112247
CT 12 -4.0260149968 0.0039421522 0.0000000018
5.0193769117 2.0026968022 1.6500975906 -0.0181327533 >
-0.0000000091 -0.0000000008 -0.0165255640 -0.0000000051 >
-0.0000000005
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.7420355733 4.2806184115 1.6501996590 -1.2985392034 >
0.0000000002 0.0000000000 -1.2969057475 0.0000000001 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
4.9426928166 5.8253813232 4.3141607869 -0.0000000334 >
-0.0000000202 -0.5799217677 -0.0000000392 -0.0000000187 >
-0.1309816933
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
5.6044677034 5.1631018942 4.3140618855 0.3822798810 >
0.5022322018 0.2899877046 0.3822666344 0.1134461578 >
0.0655111939
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.385897I A.U.
1.8160298990 2.3814289485 0.6203606190 -0.4896345263 >
0.0000000121 0.0000000122 -0.4896443313 0.0000000077 >
0.0000000074
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.8160299085 2.3814289464 0.6203606237 0.4896345341 >
-0.0000000147 0.0000000063 0.4896443349 -0.0000000091 >
0.0000000041
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.6642822913 1.5333870930 0.6203868290 0.0000000094 >
-0.0000000101 -0.0000000232 0.0000000039 -0.0000000055 >
-0.0000000146
CT 4 1.7566396738 -1.0141600423 0.5410616949
3.7907892666 3.5143717730 3.2815366348 -0.2393691589 >
0.2646655542 -0.1528224967 -0.2394045266 0.1721187260 >
-0.0993851531
CT 5 -1.7566396464 -1.0141600798 0.5410616960
3.7907892356 3.5143718218 3.2815366634 0.2393691918 >
-0.2646655645 -0.1528224563 0.2394045637 -0.1721187375 >
-0.0993851244
CT 6 2.0164194687 3.4846471387 0.0000000016
2.4190624642 3.4428647446 1.4846746522 0.9186633461 >
0.0000000029 0.0000000050 0.9191773027 0.0000000020 >
0.0000000037
CT 7 4.0260149967 0.0039421523 0.0000000003
3.9824271870 1.8791021325 1.4845948990 0.0164313893 >
0.0000000012 0.0000000005 0.0159015572 0.0000000009 >
0.0000000006
CT 8 -0.0000000255 2.0283118808 0.5410612666
3.3763135949 3.9291211123 3.2815918828 -0.0000000276 >
0.0000000137 0.3055944130 -0.0000000307 0.0000000154 >
0.1987365744
CT 9 -2.0164194680 3.4846471382 0.0000000015
2.4190624694 3.4428647719 1.4846746540 -0.9186633563 >
-0.0000000022 0.0000000055 -0.9191773089 -0.0000000012 >
0.0000000042
CT 10 -2.0095914887 -3.4885891429 0.0000000020
2.3910583746 3.4708669554 1.4846744443 0.9030253816 >
-0.0000000033 -0.0000000057 0.9024798666 -0.0000000023 >
-0.0000000041
CT 11 1.7566396379 -1.0141600149 -0.5410617274
3.7907894676 3.5143718629 3.2815369427 -0.2393692617 >
-0.2646655128 0.1528224839 -0.2394046294 -0.1721187023 >
0.0993851450
CT 12 -4.0260149968 0.0039421522 0.0000000018
3.9824271895 1.8791021291 1.4845948983 -0.0164313930 >
-0.0000000058 -0.0000000003 -0.0159015540 -0.0000000041 >
-0.0000000004
CT 13 2.0095914888 -3.4885891415 0.0000000002
2.3910583819 3.4708669675 1.4846744467 -0.9030253932 >
0.0000000001 0.0000000000 -0.9024798819 0.0000000000 >
0.0000000001
CT 14 -0.0000000232 2.0283118345 -0.5410612916
3.3763136831 3.9291214568 3.2815922591 -0.0000000270 >
-0.0000000119 -0.3055943892 -0.0000000307 -0.0000000147 >
-0.1987365609
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
3.7907894098 3.5143719068 3.2815369197 0.2393692779 >
0.2646655410 0.1528224451 0.2394046501 0.1721187243 >
0.0993851183
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 0.649114I A.U.
1.3814631000 1.8318082800 0.5784061230 -0.3900132537 >
0.0000000047 0.0000000052 -0.3900186303 0.0000000075 >
0.0000000072
CT 2 -2.0025181102 1.1561235696 0.0000000225
1.3814631090 1.8318082780 0.5784061268 0.3900132598 >
-0.0000000059 0.0000000023 0.3900186338 -0.0000000089 >
0.0000000040
CT 3 0.0000000006 -2.3122309470 0.0000000321
2.0570860358 1.1563135674 0.5784270749 0.0000000062 >
-0.0000000048 -0.0000000092 0.0000000029 -0.0000000054 >
-0.0000000142
CT 4 1.7566396738 -1.0141600423 0.5410616949
2.1519268595 2.0242308156 2.0849927251 -0.1105660794 >
0.1026971267 -0.0593010408 -0.1105929871 0.1650771995 >
-0.0953159994
CT 5 -1.7566396464 -1.0141600798 0.5410616960
2.1519268364 2.0242308413 2.0849927412 0.1105661028 >
-0.1026971314 -0.0593010217 0.1105930090 -0.1650772077 >
-0.0953159773
CT 6 2.0164194687 3.4846471387 0.0000000016
1.7325675204 2.2744968865 1.1586804385 0.4938064373 >
0.0000000015 0.0000000025 0.4940219437 0.0000000015 >
0.0000000027
CT 7 4.0260149967 0.0039421523 0.0000000003
2.5666253569 1.4402467022 1.1586320411 0.0124213900 >
0.0000000006 0.0000000001 0.0121989448 0.0000000006 >
0.0000000004
CT 8 -0.0000000255 2.0283118808 0.5410612666
1.9604600098 2.2158329974 2.0850174693 -0.0000000167 >
0.0000000063 0.1185712738 -0.0000000191 0.0000000113 >
0.1906101163
CT 9 -2.0164194680 3.4846471382 0.0000000015
1.7325675246 2.2744969002 1.1586804395 -0.4938064438 >
-0.0000000013 0.0000000026 -0.4940219444 -0.0000000009 >
0.0000000030
CT 10 -2.0095914887 -3.4885891429 0.0000000020
1.7112440210 2.2958194461 1.1586803218 0.4817178114 >
-0.0000000017 -0.0000000029 0.4814884338 -0.0000000017 >
-0.0000000030
CT 11 1.7566396379 -1.0141600149 -0.5410617274
2.1519269258 2.0242308061 2.0849928952 -0.1105661510 >
-0.1026971069 0.0593010344 -0.1105930587 -0.1650771769 >
0.0953159922
CT 12 -4.0260149968 0.0039421522 0.0000000018
2.5666253574 1.4402467014 1.1586320408 -0.0124213922 >
-0.0000000029 -0.0000000001 -0.0121989412 -0.0000000030 >
-0.0000000003
CT 13 2.0095914888 -3.4885891415 0.0000000002
1.7112440280 2.2958194516 1.1586803240 -0.4817178203 >
0.0000000001 -0.0000000000 -0.4814884405 0.0000000000 >
0.0000000000
CT 14 -0.0000000232 2.0283118345 -0.5410612916
1.9604599850 2.2158331491 2.0850176805 -0.0000000167 >
-0.0000000055 -0.1185712627 -0.0000000193 -0.0000000105 >
-0.1906101026
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
2.1519268954 2.0242308383 2.0849928827 0.1105661626 >
0.1026971205 0.0593010164 0.1105930689 0.1650771944 >
0.0953159711
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 1.153904I A.U.
0.7720012631 1.0140101098 0.4088203164 -0.2095923632 >
0.0000000012 0.0000000016 -0.2095937890 0.0000000043 >
0.0000000043
CT 2 -2.0025181102 1.1561235696 0.0000000225
0.7720012685 1.0140101088 0.4088203186 0.2095923665 >
-0.0000000016 0.0000000005 0.2095937915 -0.0000000052 >
0.0000000022
CT 3 0.0000000006 -2.3122309470 0.0000000321
1.1350538020 0.6510024710 0.4088319639 0.0000000029 >
-0.0000000018 -0.0000000025 0.0000000017 -0.0000000035 >
-0.0000000083
CT 4 1.7566396738 -1.0141600423 0.5410616949
0.9736302728 0.9308893920 1.0382391721 -0.0370022824 >
0.0262269270 -0.0151451238 -0.0370133887 0.0938002874 >
-0.0541595542
CT 5 -1.7566396464 -1.0141600798 0.5410616960
0.9736302604 0.9308894020 1.0382391788 0.0370022941 >
-0.0262269283 -0.0151451177 0.0370133985 -0.0938002919 >
-0.0541595412
CT 6 2.0164194687 3.4846471387 0.0000000016
0.9046237571 1.0990944006 0.6844279954 0.1815684011 >
0.0000000006 0.0000000010 0.1818581994 0.0000000008 >
0.0000000015
CT 7 4.0260149967 0.0039421523 0.0000000003
1.2078123822 0.7958510541 0.6844089897 0.0068005508 >
0.0000000002 0.0000000000 0.0065089475 0.0000000004 >
0.0000000002
CT 8 -0.0000000255 2.0283118808 0.5410612666
0.9095480055 0.9950214384 1.0382481896 -0.0000000072 >
0.0000000020 0.0302775740 -0.0000000088 0.0000000064 >
0.1083091683
CT 9 -2.0164194680 3.4846471382 0.0000000015
0.9046237591 1.0990944051 0.6844279959 -0.1815684038 >
-0.0000000006 0.0000000010 -0.1818581985 -0.0000000006 >
0.0000000016
CT 10 -2.0095914887 -3.4885891429 0.0000000020
0.8930968477 1.1106211171 0.6844279684 0.1752048180 >
-0.0000000007 -0.0000000011 0.1749112945 -0.0000000009 >
-0.0000000017
CT 11 1.7566396379 -1.0141600149 -0.5410617274
0.9736302833 0.9308893653 1.0382392405 -0.0370023182 >
-0.0262269195 0.0151451212 -0.0370134245 -0.0938002728 >
0.0541595496
CT 12 -4.0260149968 0.0039421522 0.0000000018
1.2078123816 0.7958510544 0.6844089895 -0.0068005516 >
-0.0000000011 0.0000000000 -0.0065089455 -0.0000000016 >
-0.0000000001
CT 13 2.0095914888 -3.4885891415 0.0000000002
0.8930968518 1.1106211183 0.6844279698 -0.1752048224 >
0.0000000000 -0.0000000000 -0.1749112964 0.0000000000 >
-0.0000000000
CT 14 -0.0000000232 2.0283118345 -0.5410612916
0.9095479673 0.9950214876 1.0382482767 -0.0000000074 >
-0.0000000018 -0.0302775698 -0.0000000090 -0.0000000059 >
-0.1083091593
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
0.9736302710 0.9308893816 1.0382392357 0.0370023240 >
0.0262269243 0.0151451157 0.0370134284 0.0938002831 >
0.0541595370
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 2.307592I A.U.
0.2788942627 0.3536851185 0.1843806711 -0.0647731254 >
0.0000000001 0.0000000003 -0.0647733283 0.0000000014 >
0.0000000015
CT 2 -2.0025181102 1.1561235696 0.0000000225
0.2788942645 0.3536851182 0.1843806719 0.0647731264 >
-0.0000000003 0.0000000000 0.0647733294 -0.0000000017 >
0.0000000007
CT 3 0.0000000006 -2.3122309470 0.0000000321
0.3910863333 0.2414996245 0.1843840256 0.0000000009 >
-0.0000000005 -0.0000000004 0.0000000006 -0.0000000013 >
-0.0000000027
CT 4 1.7566396738 -1.0141600423 0.5410616949
0.3116584204 0.2985619441 0.3603228914 -0.0113379445 >
0.0032205510 -0.0018601178 -0.0113410299 0.0296486481 >
-0.0171188112
CT 5 -1.7566396464 -1.0141600798 0.5410616960
0.3116584162 0.2985619468 0.3603228933 0.0113379482 >
-0.0032205511 -0.0018601164 0.0113410330 -0.0296486497 >
-0.0171188064
CT 6 2.0164194687 3.4846471387 0.0000000016
0.3048883130 0.3467311712 0.2585701671 0.0406004238 >
0.0000000002 0.0000000003 0.0407676326 0.0000000003 >
0.0000000005
CT 7 4.0260149967 0.0039421523 0.0000000003
0.3715006840 0.2801115451 0.2585665274 0.0023087638 >
0.0000000001 -0.0000000000 0.0021412404 0.0000000001 >
0.0000000001
CT 8 -0.0000000255 2.0283118808 0.5410612666
0.2920197004 0.3182116683 0.3603250331 -0.0000000021 >
0.0000000004 0.0037168042 -0.0000000027 0.0000000023 >
0.0342345713
CT 9 -2.0164194680 3.4846471382 0.0000000015
0.3048883136 0.3467311722 0.2585701674 -0.0406004245 >
-0.0000000002 0.0000000003 -0.0407676322 -0.0000000002 >
0.0000000005
CT 10 -2.0095914887 -3.4885891429 0.0000000020
0.3010343916 0.3505850989 0.2585701739 0.0385428119 >
-0.0000000002 -0.0000000003 0.0383749045 -0.0000000003 >
-0.0000000006
CT 11 1.7566396379 -1.0141600149 -0.5410617274
0.3116584199 0.2985619322 0.3603229096 -0.0113379557 >
-0.0032205488 0.0018601169 -0.0113410412 -0.0296486425 >
0.0171188094
CT 12 -4.0260149968 0.0039421522 0.0000000018
0.3715006836 0.2801115454 0.2585665273 -0.0023087640 >
-0.0000000003 0.0000000000 -0.0021412398 -0.0000000006 >
-0.0000000000
CT 13 2.0095914888 -3.4885891415 0.0000000002
0.3010343930 0.3505850990 0.2585701745 -0.0385428133 >
0.0000000000 -0.0000000000 -0.0383749049 0.0000000000 >
-0.0000000000
CT 14 -0.0000000232 2.0283118345 -0.5410612916
0.2920196843 0.3182116793 0.3603250571 -0.0000000023 >
-0.0000000004 -0.0037168029 -0.0000000028 -0.0000000022 >
-0.0342345678
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
0.3116584164 0.2985619374 0.3603229084 0.0113379576 >
0.0032205500 0.0018601158 0.0113410423 0.0296486463 >
0.0171188047
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W= 5.957643I A.U.
0.0514279578 0.0622955630 0.0391166299 -0.0094119353 >
0.0000000000 0.0000000000 -0.0094119674 0.0000000002 >
0.0000000003
CT 2 -2.0025181102 1.1561235696 0.0000000225
0.0514279581 0.0622955629 0.0391166300 0.0094119355 >
-0.0000000000 -0.0000000000 0.0094119676 -0.0000000003 >
0.0000000001
CT 3 0.0000000006 -2.3122309470 0.0000000321
0.0677295810 0.0459941106 0.0391169785 0.0000000002 >
-0.0000000001 -0.0000000000 0.0000000001 -0.0000000002 >
-0.0000000004
CT 4 1.7566396738 -1.0141600423 0.5410616949
0.0540744692 0.0512689871 0.0657363896 -0.0024290111 >
0.0001850590 -0.0001069542 -0.0024294876 0.0047663057 >
-0.0027520206
CT 5 -1.7566396464 -1.0141600798 0.5410616960
0.0540744685 0.0512689876 0.0657363898 0.0024290117 >
-0.0001850590 -0.0001069540 0.0024294881 -0.0047663060 >
-0.0027520197
CT 6 2.0164194687 3.4846471387 0.0000000016
0.0531675894 0.0578848337 0.0481762309 0.0048209102 >
0.0000000000 0.0000000000 0.0048543072 0.0000000001 >
0.0000000001
CT 7 4.0260149967 0.0039421523 0.0000000003
0.0608950198 0.0501571098 0.0481760137 0.0003930512 >
0.0000000000 -0.0000000000 0.0003596070 0.0000000000 >
0.0000000000
CT 8 -0.0000000255 2.0283118808 0.5410612666
0.0498668820 0.0554778679 0.0657365996 -0.0000000003 >
0.0000000001 0.0002133803 -0.0000000004 0.0000000004 >
0.0055035253
CT 9 -2.0164194680 3.4846471382 0.0000000015
0.0531675895 0.0578848338 0.0481762309 -0.0048209103 >
-0.0000000000 0.0000000000 -0.0048543071 -0.0000000000 >
0.0000000001
CT 10 -2.0095914887 -3.4885891429 0.0000000020
0.0525157544 0.0585366721 0.0481762335 0.0044780046 >
-0.0000000000 -0.0000000001 0.0044444995 -0.0000000001 >
-0.0000000001
CT 11 1.7566396379 -1.0141600149 -0.5410617274
0.0540744688 0.0512689850 0.0657363922 -0.0024290129 >
-0.0001850587 0.0001069540 -0.0024294894 -0.0047663047 >
0.0027520203
CT 12 -4.0260149968 0.0039421522 0.0000000018
0.0608950197 0.0501571098 0.0481760137 -0.0003930512 >
-0.0000000000 0.0000000000 -0.0003596069 -0.0000000001 >
-0.0000000000
CT 13 2.0095914888 -3.4885891415 0.0000000002
0.0525157547 0.0585366720 0.0481762336 -0.0044780048 >
0.0000000000 -0.0000000000 -0.0044444995 0.0000000000 >
-0.0000000000
CT 14 -0.0000000232 2.0283118345 -0.5410612916
0.0498668792 0.0554778692 0.0657366032 -0.0000000004 >
-0.0000000001 -0.0002133801 -0.0000000005 -0.0000000004 >
-0.0055035247
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
0.0540744683 0.0512689858 0.0657363921 0.0024290132 >
0.0001850588 0.0001069539 0.0024294896 0.0047663054 >
0.0027520194
CT 1 2.0025181086 1.1561235689 0.0000000227 -- FOR W=32.239080I A.U.
0.0019088617 0.0022655908 0.0015013520 -0.0003089464 >
0.0000000000 0.0000000000 -0.0003089476 0.0000000000 >
0.0000000000
CT 2 -2.0025181102 1.1561235696 0.0000000225
0.0019088617 0.0022655908 0.0015013520 0.0003089464 >
-0.0000000000 -0.0000000000 0.0003089476 -0.0000000000 >
0.0000000000
CT 3 0.0000000006 -2.3122309470 0.0000000321
0.0024439564 0.0017304909 0.0015013597 0.0000000000 >
-0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 >
-0.0000000000
CT 4 1.7566396738 -1.0141600423 0.5410616949
0.0019566335 0.0018471127 0.0023989927 -0.0000948273 >
0.0000062592 -0.0000036177 -0.0000948436 0.0001695824 >
-0.0000979154
CT 5 -1.7566396464 -1.0141600798 0.5410616960
0.0019566334 0.0018471128 0.0023989927 0.0000948273 >
-0.0000062592 -0.0000036176 0.0000948436 -0.0001695824 >
-0.0000979153
CT 6 2.0164194687 3.4846471387 0.0000000016
0.0019155114 0.0020568958 0.0017626916 0.0001485158 >
0.0000000000 0.0000000000 0.0001497315 0.0000000000 >
0.0000000000
CT 7 4.0260149967 0.0039421523 0.0000000003
0.0021506989 0.0018217079 0.0017626900 0.0000139534 >
0.0000000000 -0.0000000000 0.0000127361 0.0000000000 >
0.0000000000
CT 8 -0.0000000255 2.0283118808 0.5410612666
0.0017923712 0.0020114144 0.0023989975 -0.0000000000 >
0.0000000000 0.0000072169 -0.0000000000 0.0000000000 >
0.0001958123
CT 9 -2.0164194680 3.4846471382 0.0000000015
0.0019155114 0.0020568958 0.0017626916 -0.0001485158 >
-0.0000000000 0.0000000000 -0.0001497315 -0.0000000000 >
0.0000000000
CT 10 -2.0095914887 -3.4885891429 0.0000000020
0.0018923971 0.0020800102 0.0017626917 0.0001363877 >
-0.0000000000 -0.0000000000 0.0001351682 -0.0000000000 >
-0.0000000000
CT 11 1.7566396379 -1.0141600149 -0.5410617274
0.0019566334 0.0018471127 0.0023989928 -0.0000948273 >
-0.0000062592 0.0000036176 -0.0000948437 -0.0001695824 >
0.0000979153
CT 12 -4.0260149968 0.0039421522 0.0000000018
0.0021506989 0.0018217079 0.0017626900 -0.0000139534 >
-0.0000000000 0.0000000000 -0.0000127361 -0.0000000000 >
-0.0000000000
CT 13 2.0095914888 -3.4885891415 0.0000000002
0.0018923971 0.0020800102 0.0017626917 -0.0001363877 >
0.0000000000 -0.0000000000 -0.0001351682 0.0000000000 >
-0.0000000000
CT 14 -0.0000000232 2.0283118345 -0.5410612916
0.0017923711 0.0020114144 0.0023989976 -0.0000000000 >
-0.0000000000 -0.0000072169 -0.0000000000 -0.0000000000 >
-0.0001958122
CT 15 -1.7566396153 -1.0141600621 -0.5410617231
0.0019566334 0.0018471127 0.0023989928 0.0000948273 >
0.0000062592 0.0000036176 0.0000948437 0.0001695824 >
0.0000979153
STOP
PROJECTION BASIS SET
A01C1 1.3168000000 -2.2807000000 0.0000000000 4.0
S 6
1 4563.2400000000 0.77820176
2 682.0240000000 1.44869481
3 154.9730000000 2.38308933
4 44.4553000000 3.20008901
5 13.0290000000 3.01300444
6 1.8277300000 0.24759863
L 3
7 20.9642000000 0.80062852 2.57359222
8 4.8033100000 2.12741989 2.40824822
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L 1
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F 1
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S 6
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L 1
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L 1
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L 1
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29 2.5040000000 8.20388425
D 1
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D 1
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F 1
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A03C3 1.3168000000 2.2807000000 0.0000000000 4.0
S 6
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35 154.9730000000 2.38308933
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37 13.0290000000 3.01300444
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L 3
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L 1
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L 1
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L 1
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D 1
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A04C4 -1.3168000000 2.2807000000 0.0000000000 4.0
S 6
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53 13.0290000000 3.01300444
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L 3
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56 4.8033100000 2.12741989 2.40824822
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L 1
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L 1
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S 6
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L 1
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L 1
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L 1
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93 2.5040000000 8.20388425
D 1
94 0.6260000000 0.72512777
D 1
95 0.1565000000 0.06409285
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A07H7 2.3386000000 -4.0506000000 0.0000000000 1.0
S 3
97 33.8650000000 0.25506932
98 5.0947900000 0.46010866
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S 1
100 0.3258400000 0.30737135
S 1
101 0.1027410000 0.12933556
S 1
102 0.0360000000 0.05890294
P 1
103 1.5000000000 2.36621477
P 1
104 0.3750000000 0.41829163
A08H8 4.6772000000 0.0000000000 0.0000000000 1.0
S 3
105 33.8650000000 0.25506932
106 5.0947900000 0.46010866
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S 1
108 0.3258400000 0.30737135
S 1
109 0.1027410000 0.12933556
S 1
110 0.0360000000 0.05890294
P 1
111 1.5000000000 2.36621477
P 1
112 0.3750000000 0.41829163
A09H9 2.3386000000 4.0506000000 0.0000000000 1.0
S 3
113 33.8650000000 0.25506932
114 5.0947900000 0.46010866
115 1.1587900000 0.67832145
S 1
116 0.3258400000 0.30737135
S 1
117 0.1027410000 0.12933556
S 1
118 0.0360000000 0.05890294
P 1
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P 1
120 0.3750000000 0.41829163
A10H10 -2.3386000000 4.0506000000 0.0000000000 1.0
S 3
121 33.8650000000 0.25506932
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S 1
124 0.3258400000 0.30737135
S 1
125 0.1027410000 0.12933556
S 1
126 0.0360000000 0.05890294
P 1
127 1.5000000000 2.36621477
P 1
128 0.3750000000 0.41829163
A11H11 -4.6772000000 0.0000000000 0.0000000000 1.0
S 3
129 33.8650000000 0.25506932
130 5.0947900000 0.46010866
131 1.1587900000 0.67832145
S 1
132 0.3258400000 0.30737135
S 1
133 0.1027410000 0.12933556
S 1
134 0.0360000000 0.05890294
P 1
135 1.5000000000 2.36621477
P 1
136 0.3750000000 0.41829163
A12H12 -2.3386000000 -4.0506000000 0.0000000000 1.0
S 3
137 33.8650000000 0.25506932
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S 1
140 0.3258400000 0.30737135
S 1
141 0.1027410000 0.12933556
S 1
142 0.0360000000 0.05890294
P 1
143 1.5000000000 2.36621477
P 1
144 0.3750000000 0.41829163
STOP
MULTIPLICITY 1
STOP
PROJECTION WAVEFUNCTION 15 330
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15 20-7.75554825E-03 3.00650143E-03 1.24404822E-03 4.79555684E-02 8.36190509E-02
15 21-4.29661210E-02 9.41432671E-03 5.30371696E-02 4.02305229E-02-4.45110658E-03
15 22-1.33156375E-03 1.69524440E-02-5.53188137E-05 8.69797430E-05 6.64743385E-05
15 23 1.80796321E-05 7.63100696E-04-3.56320905E-04 2.48319757E-03 2.12203157E-04
15 24-2.59195556E-04 1.33146418E-04 6.08263190E-03-3.16840763E-03 1.32100519E-02
15 25-2.46831111E-03-2.07044458E-03-5.52146483E-03 7.23756304E-03-6.87522937E-03
15 26-9.96371809E-04 2.57803235E-04 1.52311489E-03 7.89394531E-05 4.09074334E-04
15 27 3.13320174E-04 1.93689399E-03 1.85267592E-04 1.19960707E-04-7.52864887E-04
15 28 1.81016126E-03 3.90519572E-03 3.83565822E-03 4.06017038E-03-3.77011517E-02
15 29-1.39286371E-02 6.55348458E-03 9.25129725E-03-6.01333631E-02-1.91276039E-02
15 30-7.14980583E-02-2.53271997E-02-4.58353562E-02-6.97049503E-02-1.96304363E-02
15 31 2.01369973E-02-1.77814822E-03-2.13523328E-04 1.21917642E-03 2.60509691E-04
15 32-3.04987872E-04 1.17527913E-03 1.32056037E-03-8.15654212E-03 6.26378136E-03
15 33 7.70977522E-04-4.15158418E-03 9.30511673E-03 1.12914243E-02-2.11963643E-02
15 34 1.39060483E-02 6.21790487E-03-1.97757832E-03 1.60085164E-02 1.10942982E-02
15 35-1.49629293E-03-1.53321487E-03 7.37208060E-05 2.17850599E-03-4.25433950E-04
15 36 1.87208854E-03-3.59864142E-03-2.64306121E-04-2.44621607E-05-1.38829075E-03
15 37-4.52933128E-02-7.85129915E-02 5.62482950E-02-9.61423548E-02-1.07453513E-01
15 38 1.92335748E-01 7.68919622E-02-1.30857950E-01-1.68220164E-01 5.37757730E-02
15 39 2.29045484E-02-1.16208074E-01-1.44704981E-01 4.32553187E-02 2.09214208E-02
15 40-2.52743258E-03-2.05101024E-02-4.01272866E-03-1.20330063E-03-4.50611016E-03
15 41-2.92502299E-03-1.03901222E-03 8.39038269E-04-9.39659299E-03 5.37689399E-03
15 42-1.56563969E-02-1.23428070E-02-9.95479179E-03 6.85198979E-03-1.61950323E-02
15 43-1.91852735E-02-1.99235480E-02-2.39860951E-02-5.54210818E-03 9.70542782E-03
15 44 2.31527115E-04-4.67336543E-03-1.37575772E-03-3.05850170E-03-4.51867178E-03
15 45 6.77642504E-03-5.87536294E-03-2.39962084E-04 7.77736623E-04 1.14035595E-03
15 46-4.52940489E-02-7.85142667E-02-5.51392842E-02 9.67822911E-02-1.07453102E-01
15 47 1.92339020E-01-7.48827725E-02 1.32017401E-01-1.68219301E-01 5.37817353E-02
15 48-8.91936666E-02 7.79488449E-02-1.44707030E-01 4.33120842E-02 8.27908914E-03
15 49 1.93932208E-02-2.05107849E-02-4.09930271E-03-1.11669208E-03-4.50607235E-03
15 50-2.86733203E-03 2.07237557E-04-1.31933072E-03-7.57342315E-03 3.55302430E-03
15 51-1.56565723E-02-1.35586625E-02 9.57130711E-04-1.20470433E-02-3.64303827E-02
15 52 1.05009263E-03-1.99240886E-02-1.04971227E-02 5.63425812E-03-9.65235887E-03
15 53 1.19497055E-03 6.57961175E-03-1.37579837E-03 1.97464966E-03-4.68093962E-03
15 54-6.13840348E-03-5.71305367E-03 5.53558308E-04-5.96677262E-04 1.24870089E-03
15 55 5.63981842E-03 1.17261269E-02 5.20571113E-03-7.71444533E-03 3.33172362E-04
15 56 2.75439241E-04-9.62602590E-04 1.16801115E-03 3.48369498E-04-2.44536856E-03
15 57 1.72581036E-04-1.10709369E-03-1.44327453E-03-2.25196743E-03 3.59959012E-05
15 58 3.44207768E-05 9.95855402E-04 1.02694396E-03 3.87396259E-04 4.44542279E-03
15 59 1.72786990E-04-1.10647375E-03-1.44397428E-03-2.25596166E-03 4.77944174E-05
15 60 1.39549760E-05 9.95808037E-04 8.49134901E-04 6.95522218E-04 4.44554507E-03
15 61 5.64017392E-03 1.17270508E-02 5.20686665E-03-7.71178348E-03 4.05138028E-04
15 62 1.50776169E-04-9.62571085E-04 8.85798915E-04 8.37305807E-04-2.44554162E-03
15 63-8.10621842E-03-2.78354483E-02-8.58987535E-03 1.78128433E-03-1.82169757E-04
15 64-1.75518899E-03-2.92119158E-03 1.84759366E-04-4.75312073E-03-9.33660006E-03
15 65-8.10635488E-03-2.78359370E-02-8.59181066E-03 1.78349206E-03-1.61089790E-03
15 66 7.19853277E-04-2.92098171E-03-4.02391087E-03 2.53629180E-03-9.33645522E-03
FOCK MATRIX ELEMENTS
-0.7859105707 0.0162396337 -0.7859105670 0.0162443240 >
-0.0162443247 -0.7858958175 -0.0822037749 0.0022416311 >
0.0822011890 -0.6116738654 -0.0022416313 0.0822037748 >
0.0822011916 -0.0445715464 -0.6116738639 0.1026319229 >
0.0360332424 0.0019526522 -0.0181683822 -0.0040882489 >
-0.6872085244 0.1026313683 0.0019511099 0.0360344047 >
0.0775881944 -0.0040875066 -0.0308189099 -0.6872290141 >
0.0822017057 -0.0822017048 -0.0022433528 0.0445767549 >
0.0445767537 -0.0775886385 0.0181681177 -0.6116615180 >
0.0360332424 0.1026319221 -0.0019526523 0.0040882488 >
0.0181683826 0.0275628341 0.0083934607 0.0775886382 >
-0.6872085212 0.0019520237 -0.0360350837 0.1026323837 >
0.0181673136 -0.0775879973 0.0010555207 0.0083934193 >
-0.0040887686 -0.0083941668 -0.6872085056 0.0822037803 >
-0.0022416255 -0.0822011993 0.2194911700 -0.0105622749 >
0.0181683780 -0.0775881914 0.0105620220 -0.0040882513 >
-0.0181673078 -0.6116738499 -0.0019511105 -0.1026313680 >
0.0360344044 -0.0040875070 0.0775881939 -0.0083934608 >
-0.0010547358 0.0181681181 0.0308189100 0.0275627427 >
0.0040875095 -0.6872290132 -0.0360350838 0.0019520233 >
-0.1026323823 0.0775879973 -0.0181673133 -0.0083941663 >
-0.0275627425 0.0040887689 0.0010555206 0.0308190074 >
-0.0775879959 -0.0083934194 -0.6872085036 0.0822017066 >
-0.0822017083 -0.0022433436 -0.0105620245 -0.0105620232 >
-0.0775886353 0.0181681146 -0.2194872463 0.0775886353 >
-0.0040887708 -0.0445767564 0.0181681131 0.0040887712 >
-0.6116614943 -0.0022416255 0.0822037793 0.0822011969 >
0.0105622753 -0.2194911701 -0.0040882509 -0.0040875083 >
-0.0105620217 0.0181683780 -0.0775879965 0.0445715521 >
0.0775881924 -0.0181673090 0.0445767576 -0.6116738509 >
LMO CENTROIDS
CT1 2.0025181086 1.1561235689 0.0000000227
CT2 -2.0025181102 1.1561235696 0.0000000225
CT3 0.0000000006 -2.3122309470 0.0000000321
CT4 1.7566396738 -1.0141600423 0.5410616949
CT5 -1.7566396464 -1.0141600798 0.5410616960
CT6 2.0164194687 3.4846471387 0.0000000016
CT7 4.0260149967 0.0039421523 0.0000000003
CT8 -0.0000000255 2.0283118808 0.5410612666
CT9 -2.0164194680 3.4846471382 0.0000000015
CT10 -2.0095914887 -3.4885891429 0.0000000020
CT11 1.7566396379 -1.0141600149 -0.5410617274
CT12 -4.0260149968 0.0039421522 0.0000000018
CT13 2.0095914888 -3.4885891415 0.0000000002
CT14 -0.0000000232 2.0283118345 -0.5410612916
CT15 -1.7566396153 -1.0141600621 -0.5410617231
STOP
SCREEN2 (FROM VDWSCL= 0.700)
A01C1 1.000000000 1.708192118
A02C2 1.000000000 1.708192118
A03C3 1.000000000 1.708192118
A04C4 1.000000000 1.708192118
A05C5 1.000000000 1.708192118
A06C6 1.000000000 1.708192118
A07H7 1.000000000 1.838222261
A08H8 1.000000000 1.838222261
A09H9 1.000000000 1.838222261
A10H10 1.000000000 1.838222261
A11H11 1.000000000 1.838222261
A12H12 1.000000000 1.838222261
BO21 1.000000000 10.000000000
BO32 1.000000000 10.000000000
BO43 1.000000000 10.000000000
BO54 1.000000000 10.000000000
BO61 1.000000000 10.000000000
BO65 1.000000000 10.000000000
BO71 1.000000000 10.000000000
BO82 1.000000000 10.000000000
BO93 1.000000000 10.000000000
BO104 1.000000000 10.000000000
BO115 1.000000000 10.000000000
BO126 1.000000000 10.000000000
STOP
$END
|