/usr/share/psi/efpfrag/pyridine.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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Pyridine, S66, Elec.: 6-31G* Rest: 6-311++G(3df,2p)
COORDINATES (BOHR)
A01N1 0.0000000000 0.0000000000 2.6342267707 14.0030700 7.0
A02C2 0.0000000000 -2.1559505849 1.3075446410 12.0000000 6.0
A03H3 0.0000000000 -3.8832735212 2.4060612549 1.0078250 1.0
A04C4 0.0000000000 -2.2564273156 -1.3221980435 12.0000000 6.0
A05H5 0.0000000000 -4.0610022504 -2.2790607974 1.0078250 1.0
A06C6 0.0000000000 0.0000000000 -2.6700828988 12.0000000 6.0
A07H7 0.0000000000 0.0000000000 -4.7136892737 1.0078250 1.0
A08C8 0.0000000000 2.2564273156 -1.3221980435 12.0000000 6.0
A09H9 0.0000000000 4.0610022504 -2.2790607974 1.0078250 1.0
A10C10 0.0000000000 2.1559505849 1.3075446410 12.0000000 6.0
A11H11 0.0000000000 3.8832735212 2.4060612549 1.0078250 1.0
BO21 0.0000000000 -1.0779752924 1.9708857058 0.0000000 0.0
BO32 0.0000000000 -3.0196120530 1.8568029480 0.0000000 0.0
BO42 0.0000000000 -2.2061889503 -0.0073267013 0.0000000 0.0
BO54 0.0000000000 -3.1587147830 -1.8006294205 0.0000000 0.0
BO64 0.0000000000 -1.1282136578 -1.9961404711 0.0000000 0.0
BO76 0.0000000000 0.0000000000 -3.6918860862 0.0000000 0.0
BO86 0.0000000000 1.1282136578 -1.9961404711 0.0000000 0.0
BO98 0.0000000000 3.1587147830 -1.8006294205 0.0000000 0.0
BO101 0.0000000000 1.0779752924 1.9708857058 0.0000000 0.0
BO108 0.0000000000 2.2061889503 -0.0073267013 0.0000000 0.0
BO1110 0.0000000000 3.0196120530 1.8568029480 0.0000000 0.0
STOP
MONOPOLES
A01N1 -6.9736466764 7.00000
A02C2 -5.1062960221 6.00000
A03H3 -0.7389681946 1.00000
A04C4 -5.5982615745 6.00000
A05H5 -0.7156151043 1.00000
A06C6 -5.4685794389 6.00000
A07H7 -0.7137332930 1.00000
A08C8 -5.5982615745 6.00000
A09H9 -0.7156151043 1.00000
A10C10 -5.1062960221 6.00000
A11H11 -0.7389681946 1.00000
BO21 -0.5903303846 0.00000
BO32 -0.3859658161 0.00000
BO42 -0.3080379118 0.00000
BO54 -0.3629168843 0.00000
BO64 -0.4293407720 0.00000
BO76 -0.3725752628 0.00000
BO86 -0.4293407720 0.00000
BO98 -0.3629168843 0.00000
BO101 -0.5903303846 0.00000
BO108 -0.3080379118 0.00000
BO1110 -0.3859658161 0.00000
STOP
DIPOLES
A01N1 0.0000000000 0.0000000000 -0.5672814089
A02C2 0.0000000000 0.4161515403 0.1748969526
A03H3 0.0000000000 -0.0391127282 0.0326112586
A04C4 0.0000000000 0.0945567667 -0.0256156693
A05H5 0.0000000000 -0.0373466960 -0.0192898568
A06C6 0.0000000000 0.0000000000 0.0817868840
A07H7 0.0000000000 0.0000000000 -0.0425153487
A08C8 0.0000000000 -0.0945567667 -0.0256156693
A09H9 0.0000000000 0.0373466960 -0.0192898568
A10C10 0.0000000000 -0.4161515403 0.1748969526
A11H11 0.0000000000 0.0391127282 0.0326112586
BO21 0.0000000000 0.0520543526 -0.0375802096
BO32 0.0000000000 0.1891149775 -0.1074357019
BO42 0.0000000000 -0.0204522302 0.0064571403
BO54 0.0000000000 0.2049709699 0.1210416266
BO64 0.0000000000 -0.0040952208 -0.0536177824
BO76 0.0000000000 0.0000000000 0.2373384820
BO86 0.0000000000 0.0040952208 -0.0536177824
BO98 0.0000000000 -0.2049709699 0.1210416266
BO101 0.0000000000 -0.0520543526 -0.0375802096
BO108 0.0000000000 0.0204522302 0.0064571403
BO1110 0.0000000000 -0.1891149775 -0.1074357019
STOP
QUADRUPOLES
A01N1 -4.0122145213 -3.6753997975 -4.5744760303 0.0000000000 >
0.0000000000 0.0000000000
A02C2 -3.0941659556 -3.0073242292 -2.9623585245 0.0000000000 >
0.0000000000 0.2173678757
A03H3 -0.4430746137 -0.4404730068 -0.4453676654 0.0000000000 >
0.0000000000 0.0012236902
A04C4 -3.8237016476 -3.6539707480 -3.5531276339 0.0000000000 >
0.0000000000 -0.0991944493
A05H5 -0.4260963875 -0.4215327419 -0.4241609069 0.0000000000 >
0.0000000000 0.0022487345
A06C6 -3.4547631007 -3.3186863243 -3.5646505880 0.0000000000 >
0.0000000000 0.0000000000
A07H7 -0.4210997141 -0.4202491691 -0.4151974902 0.0000000000 >
0.0000000000 0.0000000000
A08C8 -3.8237016476 -3.6539707480 -3.5531276339 0.0000000000 >
0.0000000000 0.0991944492
A09H9 -0.4260963875 -0.4215327419 -0.4241609069 0.0000000000 >
0.0000000000 -0.0022487345
A10C10 -3.0941659556 -3.0073242292 -2.9623585245 0.0000000000 >
0.0000000000 -0.2173678757
A11H11 -0.4430746137 -0.4404730068 -0.4453676654 0.0000000000 >
0.0000000000 -0.0012236902
BO21 -0.5509562052 0.1087801420 0.0381716231 0.0000000000 >
0.0000000000 -0.0437608783
BO32 -0.3416164800 -0.3348648168 -0.3331662364 0.0000000000 >
0.0000000000 0.0040164258
BO42 -0.4183700549 0.3302717153 0.1084213515 0.0000000000 >
0.0000000000 -0.1062934108
BO54 -0.2985145675 -0.2957603727 -0.2929529611 0.0000000000 >
0.0000000000 -0.0010786112
BO64 -0.6369038759 -0.0342433860 -0.0484640586 0.0000000000 >
0.0000000000 0.0161562248
BO76 -0.3119989862 -0.3057075238 -0.3089144006 0.0000000000 >
0.0000000000 0.0000000000
BO86 -0.6369038759 -0.0342433860 -0.0484640586 0.0000000000 >
0.0000000000 -0.0161562249
BO98 -0.2985145675 -0.2957603727 -0.2929529611 0.0000000000 >
0.0000000000 0.0010786112
BO101 -0.5509562052 0.1087801420 0.0381716231 0.0000000000 >
0.0000000000 0.0437608783
BO108 -0.4183700549 0.3302717153 0.1084213515 0.0000000000 >
0.0000000000 0.1062934108
BO1110 -0.3416164800 -0.3348648168 -0.3331662364 0.0000000000 >
0.0000000000 -0.0040164258
STOP
OCTUPOLES
A01N1 0.0000000000 0.0000000000 -1.6011941248 0.0000000000 >
-0.5091461353 0.0000000000 -0.4967811169 0.0000000000 >
0.0000000000 0.0000000000
A02C2 0.0000000000 1.2557260641 0.4404797811 0.3873067392 >
0.1782764834 0.0000000000 -0.0035548728 0.0000000000 >
0.4356679834 0.0000000000
A03H3 0.0000000000 -0.0550134483 0.0527062196 -0.0205701892 >
0.0177984313 0.0000000000 0.0145707851 0.0000000000 >
-0.0191563937 0.0000000000
A04C4 0.0000000000 0.5306440237 -0.1571162271 0.0905672092 >
-0.0534808754 0.0000000000 0.1104051793 0.0000000000 >
0.1515064526 0.0000000000
A05H5 0.0000000000 -0.0495804595 -0.0283307030 -0.0193690050 >
-0.0099567527 0.0000000000 -0.0056921942 0.0000000000 >
-0.0168276132 0.0000000000
A06C6 0.0000000000 0.0000000000 0.6023255131 0.0000000000 >
0.0633712417 0.0000000000 0.0386060062 0.0000000000 >
0.0000000000 0.0000000000
A07H7 0.0000000000 0.0000000000 -0.0537552657 0.0000000000 >
-0.0220306726 0.0000000000 -0.0216287517 0.0000000000 >
0.0000000000 0.0000000000
A08C8 0.0000000000 -0.5306440237 -0.1571162271 -0.0905672092 >
-0.0534808754 0.0000000000 0.1104051793 0.0000000000 >
-0.1515064526 0.0000000000
A09H9 0.0000000000 0.0495804595 -0.0283307030 0.0193690050 >
-0.0099567527 0.0000000000 -0.0056921942 0.0000000000 >
0.0168276132 0.0000000000
A10C10 0.0000000000 -1.2557260641 0.4404797811 -0.3873067392 >
0.1782764834 0.0000000000 -0.0035548728 0.0000000000 >
-0.4356679834 0.0000000000
A11H11 0.0000000000 0.0550134483 0.0527062196 0.0205701892 >
0.0177984313 0.0000000000 0.0145707851 0.0000000000 >
0.0191563937 0.0000000000
BO21 0.0000000000 0.1281459166 -0.3792241437 0.1172567554 >
-0.1524367738 0.0000000000 -0.1459844543 0.0000000000 >
0.0444399672 0.0000000000
BO32 0.0000000000 0.6685399758 -0.3555792346 0.2237708727 >
-0.1203017244 0.0000000000 -0.1232252041 0.0000000000 >
0.2247879509 0.0000000000
BO42 0.0000000000 0.1416571462 0.0634377252 0.1119734889 >
-0.0012286425 0.0000000000 -0.0228918323 0.0000000000 >
-0.0888600302 0.0000000000
BO54 0.0000000000 0.7212562614 0.4367049282 0.2403378071 >
0.1464495919 0.0000000000 0.1487902473 0.0000000000 >
0.2399856165 0.0000000000
BO64 0.0000000000 -0.0765373379 -0.4012770626 0.0123153725 >
-0.0730307563 0.0000000000 -0.1111466749 0.0000000000 >
-0.0434910321 0.0000000000
BO76 0.0000000000 0.0000000000 0.8431769319 0.0000000000 >
0.2804105400 0.0000000000 0.2776192906 0.0000000000 >
0.0000000000 0.0000000000
BO86 0.0000000000 0.0765373379 -0.4012770626 -0.0123153725 >
-0.0730307563 0.0000000000 -0.1111466749 0.0000000000 >
0.0434910321 0.0000000000
BO98 0.0000000000 -0.7212562614 0.4367049282 -0.2403378071 >
0.1464495919 0.0000000000 0.1487902473 0.0000000000 >
-0.2399856165 0.0000000000
BO101 0.0000000000 -0.1281459166 -0.3792241437 -0.1172567554 >
-0.1524367738 0.0000000000 -0.1459844543 0.0000000000 >
-0.0444399672 0.0000000000
BO108 0.0000000000 -0.1416571462 0.0634377252 -0.1119734889 >
-0.0012286425 0.0000000000 -0.0228918323 0.0000000000 >
0.0888600302 0.0000000000
BO1110 0.0000000000 -0.6685399758 -0.3555792346 -0.2237708727 >
-0.1203017244 0.0000000000 -0.1232252041 0.0000000000 >
-0.2247879509 0.0000000000
STOP
POLARIZABLE POINTS
CT1 0.0000000489 -0.9387701659 2.0049508142
0.3615242483 2.0107908874 1.3188864133 -0.0000000409 >
-0.0000000761 0.5174539035 -0.0000000838 0.0000000119 >
0.4376962108
CT2 -0.5381313999 -1.9335381069 -0.2390655743
5.3461093323 9.8417699444 7.7436292488 -0.1971443364 >
-0.0879934138 -0.5278288539 1.3586615464 -0.6971754627 >
-0.1010034783
CT3 0.5330503519 1.2036297214 -1.6520197438
5.3838308816 7.5011449443 7.8681059688 -0.0329960379 >
-0.0083056270 0.7935057717 -0.2090468125 -1.2052511379 >
-0.3817502322
CT4 0.5381313265 -1.9335382624 -0.2390654389
5.3461070898 9.8417662333 7.7436266592 0.1971443535 >
0.0879933201 -0.5278286297 -1.3586617544 0.6971755135 >
-0.1010036074
CT5 -0.4711689826 0.6638033962 1.9099965574
3.4084238244 5.0150102791 5.6577707849 -0.1436675039 >
0.4164774615 -0.3451691675 -0.5275857467 -0.1897452022 >
0.4200553836
CT6 0.0000000076 -3.3404883808 2.0442670379
1.8706886400 4.6426092017 3.0645121514 -0.0000000442 >
0.0000000139 -1.8565863452 -0.0000000548 0.0000000489 >
-1.9307001680
CT7 0.0000000607 2.2279985332 -0.0207844886
0.4312433812 1.8004642398 2.2439773259 -0.0000000256 >
-0.0000000225 -0.0074589165 0.0000001799 0.0000000939 >
0.1127070360
CT8 0.0000000047 -3.4793856287 -1.9749475327
1.7874651844 5.0245653019 2.6933153201 -0.0000000032 >
-0.0000000116 1.7740199353 -0.0000000356 -0.0000000152 >
1.6554196447
CT9 0.0000000043 3.3443061499 2.0393119743
1.8699106672 4.6519698529 3.0263267904 0.0000000312 >
0.0000000028 1.8266062640 0.0000000291 0.0000000234 >
1.9074441354
CT10 0.0000000018 -0.0035073235 -4.0551188440
1.8292250487 1.9098071620 5.8501284568 0.0000000002 >
0.0000000122 0.0141492929 0.0000000004 -0.0000000146 >
0.0183554758
CT11 0.4711689168 0.6638035179 1.9099965966
3.4084228663 5.0150093817 5.6577693287 0.1436675473 >
-0.4164775338 -0.3451692393 0.5275857930 0.1897453283 >
0.4200551410
CT12 0.0000000028 3.4827518403 -1.9688186078
1.7870736925 5.0413232040 2.6749994634 -0.0000000056 >
-0.0000000128 -1.7558372255 0.0000000197 -0.0000000162 >
-1.6449493057
CT13 0.0000000069 -0.0100627681 3.3457382558
2.0265434056 2.3056303901 4.6277062547 0.0000000035 >
0.0000000431 -0.0326720737 0.0000000044 0.0000000488 >
-0.0357573016
CT14 -0.5330504171 1.2036297799 -1.6520194766
5.3838337324 7.5011484159 7.8681095764 0.0329960492 >
0.0083055420 0.7935060801 0.2090468833 1.2052509636 >
-0.3817506906
CT15 0.0000000668 -1.1506323026 -2.0347904911
0.5093257421 2.2962527968 1.9149784942 0.0000000142 >
-0.0000000129 -0.3211427042 0.0000000339 -0.0000001840 >
-0.3912983585
STOP
DYNAMIC POLARIZABLE POINTS
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.002792I A.U.
0.3626015321 2.0072041307 1.3188521121 -0.0000000189 >
-0.0000000529 0.5152602417 -0.0000000836 0.0000000119 >
0.4379899694
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
5.3453268533 9.8532197373 7.7460242376 -0.1961810283 >
-0.0865883069 -0.5336768780 1.3632362966 -0.6970292913 >
-0.0999278635
CT 3 0.5330503519 1.2036297214 -1.6520197438
5.3829615547 7.5021506447 7.8684944517 -0.0318383222 >
-0.0080018210 0.8030736910 -0.2135236642 -1.2055060808 >
-0.3850194637
CT 4 0.5381313265 -1.9335382624 -0.2390654389
5.3453246149 9.8532160207 7.7460216458 0.1961810488 >
0.0865882937 -0.5336766502 -1.3632365059 0.6970293421 >
-0.0999279935
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.4092377774 5.0097152761 5.6565249364 -0.1444510082 >
0.4138915878 -0.3484950307 -0.5246930926 -0.1897631168 >
0.4205452674
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.8702093490 4.6429591970 3.0635267147 -0.0000000284 >
0.0000000207 -1.8583462541 -0.0000000550 0.0000000490 >
-1.9317364858
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4316686302 1.7993839217 2.2415962784 -0.0000000285 >
0.0000000107 -0.0081568371 0.0000001804 0.0000000939 >
0.1129959100
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7871689505 5.0251696184 2.6931462820 -0.0000000164 >
-0.0000000060 1.7766317168 -0.0000000358 -0.0000000152 >
1.6565479091
CT 9 0.0000000043 3.3443061499 2.0393119743
1.8694218158 4.6522192125 3.0257413648 0.0000000154 >
0.0000000100 1.8284234857 0.0000000290 0.0000000234 >
1.9087691997
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.8312225516 1.9101402726 5.8505634170 -0.0000000001 >
-0.0000000064 0.0141105407 0.0000000002 -0.0000000146 >
0.0182056464
CT 11 0.4711689168 0.6638035179 1.9099965966
3.4092368112 5.0097143793 5.6565234808 0.1444510250 >
-0.4138915786 -0.3484951010 0.5246931380 0.1897632429 >
0.4205450244
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7867756311 5.0419261400 2.6744907645 0.0000000084 >
-0.0000000079 -1.7584486546 0.0000000196 -0.0000000162 >
-1.6458159767
CT 13 0.0000000069 -0.0100627681 3.3457382558
2.0237125073 2.3042138514 4.6284824227 0.0000000031 >
0.0000000324 -0.0326359877 0.0000000043 0.0000000488 >
-0.0360228959
CT 14 -0.5330504171 1.2036297799 -1.6520194766
5.3829644053 7.5021541192 7.8684980596 0.0318383399 >
0.0080018014 0.8030740068 0.2135237339 1.2055059065 >
-0.3850199243
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5097323923 2.2938672980 1.9157768720 0.0000000033 >
0.0000000007 -0.3186422776 0.0000000345 -0.0000001840 >
-0.3921283380
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.015107I A.U.
0.3628559590 2.0081211894 1.3189410709 -0.0000000173 >
-0.0000000514 0.5157556522 -0.0000000836 0.0000000118 >
0.4380834799
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
5.3413828046 9.8389169173 7.7372388676 -0.1951322490 >
-0.0867986795 -0.5308192012 1.3602756723 -0.6962208350 >
-0.1000374392
CT 3 0.5330503519 1.2036297214 -1.6520197438
5.3790228920 7.4944928294 7.8603971565 -0.0317442775 >
-0.0086295885 0.7983929881 -0.2123668065 -1.2038823007 >
-0.3837039593
CT 4 0.5381313265 -1.9335382624 -0.2390654389
5.3413805684 9.8389132073 7.7372362806 0.1951322727 >
0.0867986743 -0.5308189750 -1.3602758812 0.6962208858 >
-0.1000375689
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.4077974412 5.0073363329 5.6518208815 -0.1445260929 >
0.4131705989 -0.3466321910 -0.5249154362 -0.1893332315 >
0.4194659840
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.8697633618 4.6412045983 3.0630311299 -0.0000000276 >
0.0000000215 -1.8566521780 -0.0000000549 0.0000000489 >
-1.9300913403
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4321478477 1.7995006573 2.2428615045 -0.0000000284 >
0.0000000125 -0.0081084594 0.0000001800 0.0000000938 >
0.1129329444
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7868511664 5.0232253433 2.6930034779 -0.0000000174 >
-0.0000000059 1.7749974849 -0.0000000357 -0.0000000152 >
1.6551707984
CT 9 0.0000000043 3.3443061499 2.0393119743
1.8689770502 4.6504838582 3.0252373598 0.0000000142 >
0.0000000103 1.8267378364 0.0000000290 0.0000000234 >
1.9071201137
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.8308412640 1.9104493029 5.8479234074 0.0000000002 >
-0.0000000075 0.0141176659 0.0000000002 -0.0000000146 >
0.0182047339
CT 11 0.4711689168 0.6638035179 1.9099965966
3.4077964761 5.0073354371 5.6518194275 0.1445261103 >
-0.4131705811 -0.3466322619 0.5249154817 0.1893333575 >
0.4194657412
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7864578279 5.0399929712 2.6743403314 0.0000000090 >
-0.0000000073 -1.7568179021 0.0000000196 -0.0000000162 >
-1.6444296729
CT 13 0.0000000069 -0.0100627681 3.3457382558
2.0225004966 2.3044141692 4.6261106488 0.0000000035 >
0.0000000319 -0.0326473353 0.0000000042 0.0000000488 >
-0.0360116611
CT 14 -0.5330504171 1.2036297799 -1.6520194766
5.3790257411 7.4944962982 7.8604007593 0.0317442982 >
0.0086295765 0.7983933006 0.2123668762 1.2038821266 >
-0.3837044193
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5100479537 2.2946524999 1.9160478559 0.0000000033 >
0.0000000010 -0.3192664182 0.0000000343 -0.0000001838 >
-0.3924277288
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.039002I A.U.
0.3643337979 2.0134005651 1.3194482437 -0.0000000166 >
-0.0000000501 0.5186084739 -0.0000000837 0.0000000116 >
0.4386291371
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
5.3184226408 9.7561580337 7.6862321350 -0.1890586892 >
-0.0880185500 -0.5144240317 1.3431865668 -0.6915163344 >
-0.1006295928
CT 3 0.5330503519 1.2036297214 -1.6520197438
5.3560912516 7.4499862572 7.8132997630 -0.0311989317 >
-0.0122687010 0.7715679098 -0.2057421523 -1.1944475336 >
-0.3761403748
CT 4 0.5381313265 -1.9335382624 -0.2390654389
5.3184204167 9.7561543619 7.6862295754 0.1890587137 >
0.0880185493 -0.5144238150 -1.3431867733 0.6915163847 >
-0.1006297212
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.3993778818 4.9932725510 5.6243997402 -0.1449670256 >
0.4089842142 -0.3359658027 -0.5261316101 -0.1868375397 >
0.4132314398
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.8671570459 4.6309380035 3.0601065359 -0.0000000270 >
0.0000000219 -1.8468037950 -0.0000000544 0.0000000485 >
-1.9205126203
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4349266069 1.8001360176 2.2501588941 -0.0000000277 >
0.0000000137 -0.0078372842 0.0000001777 0.0000000931 >
0.1125637211
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7849890030 5.0118462662 2.6921344501 -0.0000000179 >
-0.0000000058 1.7654997414 -0.0000000355 -0.0000000151 >
1.6471529642
CT 9 0.0000000043 3.3443061499 2.0393119743
1.8663777768 4.6403287365 3.0222646957 0.0000000135 >
0.0000000104 1.8169388720 0.0000000288 0.0000000232 >
1.8975189570
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.8286124693 1.9122219377 5.8324953166 0.0000000003 >
-0.0000000080 0.0141587121 0.0000000002 -0.0000000145 >
0.0181992501
CT 11 0.4711689168 0.6638035179 1.9099965966
3.3993769201 4.9932716609 5.6243982955 0.1449670432 >
-0.4089841915 -0.3359658773 0.5261316560 0.1868376648 >
0.4132311985
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7845955553 5.0286780018 2.6734273622 0.0000000094 >
-0.0000000070 -1.7473404810 0.0000000194 -0.0000000161 >
-1.6363585786
CT 13 0.0000000069 -0.0100627681 3.3457382558
2.0154565191 2.3055274881 4.6122684077 0.0000000037 >
0.0000000314 -0.0327122903 0.0000000042 0.0000000485 >
-0.0359461299
CT 14 -0.5330504171 1.2036297799 -1.6520194766
5.3560940866 7.4499896930 7.8133033359 0.0311989538 >
0.0122686928 0.7715682035 0.2057422224 1.1944473608 >
-0.3761408311
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5118812216 2.2991684084 1.9175977988 0.0000000032 >
0.0000000007 -0.3228685298 0.0000000333 -0.0000001823 >
-0.3941688138
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.077996I A.U.
0.3693565885 2.0307346544 1.3210413819 -0.0000000184 >
-0.0000000496 0.5279896204 -0.0000000838 0.0000000109 >
0.4405100735
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
5.2397030773 9.4787497447 7.5131141536 -0.1686466130 >
-0.0921369942 -0.4612112896 1.2864266171 -0.6754163553 >
-0.1020918260
CT 3 0.5330503519 1.2036297214 -1.6520197438
5.2774343670 7.2983423971 7.6523800274 -0.0293574056 >
-0.0245450028 0.6848704181 -0.1843962919 -1.1623376290 >
-0.3513936948
CT 4 0.5381313265 -1.9335382624 -0.2390654389
5.2397008941 9.4787462010 7.5131116868 0.1686466325 >
0.0921369874 -0.4612111034 -1.2864268157 0.6754164042 >
-0.1020919505
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.3700626659 4.9424004168 5.5299497616 -0.1465259205 >
0.3947727826 -0.3016117480 -0.5293301414 -0.1783722962 >
0.3924681475
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.8580898413 4.5950621195 3.0495602918 -0.0000000272 >
0.0000000209 -1.8132062974 -0.0000000529 0.0000000471 >
-1.8876519606
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4443097725 1.8017472819 2.2742900684 -0.0000000249 >
0.0000000127 -0.0070371787 0.0000001702 0.0000000909 >
0.1112630131
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7784444886 4.9720503605 2.6886582632 -0.0000000167 >
-0.0000000058 1.7331327948 -0.0000000347 -0.0000000147 >
1.6196505747
CT 9 0.0000000043 3.3443061499 2.0393119743
1.8573338253 4.6048278723 3.0115658726 0.0000000142 >
0.0000000100 1.7835154711 0.0000000280 0.0000000226 >
1.8645879138
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.8208495999 1.9179462405 5.7788312769 0.0000000001 >
-0.0000000070 0.0142938177 0.0000000002 -0.0000000142 >
0.0181781894
CT 11 0.4711689168 0.6638035179 1.9099965966
3.3700617150 4.9423995471 5.5299483486 0.1465259379 >
-0.3947727664 -0.3016118345 0.5293301888 0.1783724184 >
0.3924679108
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7780506917 4.9890947475 2.6698067478 0.0000000086 >
-0.0000000074 -1.7150441710 0.0000000189 -0.0000000156 >
-1.6086771257
CT 13 0.0000000069 -0.0100627681 3.3457382558
1.9914560881 2.3086562295 4.5643577344 0.0000000032 >
0.0000000312 -0.0329206478 0.0000000040 0.0000000476 >
-0.0357196019
CT 14 -0.5330504171 1.2036297799 -1.6520194766
5.2774371511 7.2983457212 7.6523834987 0.0293574255 >
0.0245449867 0.6848706510 0.1843963629 1.1623374604 >
-0.3513941396
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5181154464 2.3139311135 1.9225444697 0.0000000031 >
-0.0000000016 -0.3348184978 0.0000000300 -0.0000001775 >
-0.4001055193
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.138651I A.U.
0.3823264888 2.0709839059 1.3240319669 -0.0000000188 >
-0.0000000445 0.5499501739 -0.0000000833 0.0000000091 >
0.4454389090
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
5.0309064314 8.7862995516 7.0667602183 -0.1175406366 >
-0.1025548926 -0.3401387468 1.1483482158 -0.6330291942 >
-0.1022257527
CT 3 0.5330503519 1.2036297214 -1.6520197438
5.0685715296 6.9032259094 7.2302225151 -0.0246857980 >
-0.0555905604 0.4901506203 -0.1368631062 -1.0790199862 >
-0.2938023692
CT 4 0.5381313265 -1.9335382624 -0.2390654389
5.0309043566 8.7862963261 7.0667579888 0.1175406508 >
0.1025548915 -0.3401386295 -1.1483483950 0.6330292393 >
-0.1022258688
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.2889656708 4.7901558617 5.2769450948 -0.1509631704 >
0.3581475402 -0.2252625674 -0.5313747840 -0.1566470412 >
0.3416396837
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.8329999331 4.4948310102 3.0175441395 -0.0000000255 >
0.0000000206 -1.7251719158 -0.0000000491 0.0000000436 >
-1.8003469338
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4680889689 1.8018700332 2.3315294842 -0.0000000181 >
0.0000000149 -0.0057558420 0.0000001519 0.0000000851 >
0.1075390876
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7598265563 4.8606574371 2.6755442701 -0.0000000165 >
-0.0000000056 1.6485461202 -0.0000000326 -0.0000000137 >
1.5466036455
CT 9 0.0000000043 3.3443061499 2.0393119743
1.8322990752 4.5055382404 2.9792379492 0.0000000130 >
0.0000000099 1.6959776742 0.0000000260 0.0000000209 >
1.7771477876
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.7992806064 1.9302540355 5.6307309467 0.0000000002 >
-0.0000000072 0.0146096074 0.0000000002 -0.0000000134 >
0.0181035928
CT 11 0.4711689168 0.6638035179 1.9099965966
3.2889647506 4.7901550507 5.2769437667 0.1509631880 >
-0.3581475173 -0.2252626805 0.5313748340 0.1566471557 >
0.3416394585
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7594321071 4.8782120644 2.6563567383 0.0000000086 >
-0.0000000069 -1.6306538242 0.0000000176 -0.0000000144 >
-1.5351843802
CT 13 0.0000000069 -0.0100627681 3.3457382558
1.9288489500 2.3117008670 4.4339182051 0.0000000030 >
0.0000000292 -0.0333649596 0.0000000035 0.0000000452 >
-0.0351028403
CT 14 -0.5330504171 1.2036297799 -1.6520194766
5.0685741817 6.9032289482 7.2302257222 0.0246858191 >
0.0555905447 0.4901507155 0.1368631783 1.0790198286 >
-0.2938027879
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5342142652 2.3475805081 1.9327053482 0.0000000026 >
-0.0000000062 -0.3636357431 0.0000000226 -0.0000001648 >
-0.4154212301
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.233223I A.U.
0.4087131993 2.1299870931 1.3227148351 -0.0000000206 >
-0.0000000347 0.5839116870 -0.0000000791 0.0000000054 >
0.4545226148
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
4.5722716420 7.4460649821 6.1476732438 -0.0201762386 >
-0.1225542816 -0.1530585558 0.8964968320 -0.5425000450 >
-0.0887334324
CT 3 0.5330503519 1.2036297214 -1.6520197438
4.6089056492 6.0714739967 6.3317604058 -0.0155423345 >
-0.1158744367 0.2002122192 -0.0674363443 -0.9061547461 >
-0.1997052175
CT 4 0.5381313265 -1.9335382624 -0.2390654389
4.5722698018 7.4460623651 6.1476714903 0.0201762407 >
0.1225542865 -0.1530585424 -0.8964969752 0.5425000824 >
-0.0887335378
CT 5 -0.4711689826 0.6638033962 1.9099965574
3.0940907571 4.3927577149 4.7164766009 -0.1616028931 >
0.2832086453 -0.1148768023 -0.5112669473 -0.1130663191 >
0.2480987175
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.7718318188 4.2485931481 2.9248645062 -0.0000000226 >
0.0000000195 -1.5356249517 -0.0000000415 0.0000000365 >
-1.6079017848
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.5142865148 1.7817809644 2.4213847142 -0.0000000051 >
0.0000000182 -0.0059442055 0.0000001185 0.0000000728 >
0.0978474965
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.7117148647 4.5863156516 2.6249384961 -0.0000000155 >
-0.0000000052 1.4672421065 -0.0000000281 -0.0000000117 >
1.3856574344
CT 9 0.0000000043 3.3443061499 2.0393119743
1.7712211168 4.2610961439 2.8863633726 0.0000000113 >
0.0000000095 1.5076998665 0.0000000221 0.0000000176 >
1.5846962755
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.7459890389 1.9400989744 5.2759156771 0.0000000002 >
-0.0000000071 0.0150789884 0.0000000002 -0.0000000116 >
0.0178238766
CT 11 0.4711689168 0.6638035179 1.9099965966
3.0940899087 4.3927570468 4.7164754594 0.1616029107 >
-0.2832086145 -0.1148769547 0.5112669990 0.1130664172 >
0.2480985136
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.7113213288 4.6047097999 2.6052594502 0.0000000081 >
-0.0000000062 -1.4498464147 0.0000000149 -0.0000000121 >
-1.3734361542
CT 13 0.0000000069 -0.0100627681 3.3457382558
1.7956728563 2.2904833865 4.1304651364 0.0000000024 >
0.0000000255 -0.0337758428 0.0000000025 0.0000000398 >
-0.0336447147
CT 14 -0.5330504171 1.2036297799 -1.6520194766
4.6089080122 6.0714764610 6.3317630639 0.0155423568 >
0.1158744168 0.2002121051 0.0674364143 0.9061546118 >
-0.1997055966
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.5666562830 2.3919668456 1.9376490593 0.0000000016 >
-0.0000000154 -0.4132947049 0.0000000117 -0.0000001385 >
-0.4448844935
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.385897I A.U.
0.4459924554 2.1293733894 1.2839357917 -0.0000000253 >
-0.0000000218 0.5973812000 -0.0000000654 0.0000000004 >
0.4573090989
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
3.7527301745 5.4894957182 4.6917235961 0.1060645935 >
-0.1465256727 0.0147787453 0.5688736454 -0.3939116037 >
-0.0431341525
CT 3 0.5330503519 1.2036297214 -1.6520197438
3.7856862227 4.7060198897 4.8458561753 -0.0034171332 >
-0.1947646870 -0.0321676634 -0.0130926152 -0.6349462596 >
-0.1012301564
CT 4 0.5381313265 -1.9335382624 -0.2390654389
3.7527287400 5.4894939583 4.6917225438 -0.1060646102 >
0.1465256782 0.0147786733 -0.5688737401 0.3939116294 >
-0.0431342498
CT 5 -0.4711689826 0.6638033962 1.9099965574
2.6906602959 3.5782791122 3.7348222846 -0.1789814135 >
0.1685378731 -0.0335062832 -0.4277712365 -0.0510401909 >
0.1260283323
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.6353707733 3.7160403174 2.6719957558 -0.0000000191 >
0.0000000164 -1.2033984343 -0.0000000301 0.0000000257 >
-1.2625878707
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.5730280910 1.6776615873 2.4489831573 0.0000000122 >
0.0000000202 -0.0107943512 0.0000000751 0.0000000526 >
0.0751630181
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.5944496071 3.9930748238 2.4478726913 -0.0000000127 >
-0.0000000048 1.1510217478 -0.0000000206 -0.0000000087 >
1.0968230538
CT 9 0.0000000043 3.3443061499 2.0393119743
1.6348317855 3.7307412859 2.6349430881 0.0000000099 >
0.0000000079 1.1783872868 0.0000000161 0.0000000125 >
1.2405088709
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.6229212240 1.8839576473 4.5388387459 0.0000000001 >
-0.0000000055 0.0150821398 0.0000000001 -0.0000000085 >
0.0168038449
CT 11 0.4711689168 0.6638035179 1.9099965966
2.6906595897 3.5782787037 3.7348214597 0.1789814331 >
-0.1685378410 -0.0335064606 0.4277712832 0.0510402625 >
0.1260281587
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.5940713474 4.0119208600 2.4282303586 0.0000000065 >
-0.0000000055 -1.1348564897 0.0000000108 -0.0000000085 >
-1.0839407804
CT 13 0.0000000069 -0.0100627681 3.3457382558
1.5643509854 2.1503225805 3.5299630178 0.0000000014 >
0.0000000203 -0.0324777041 0.0000000014 0.0000000304 >
-0.0305507986
CT 14 -0.5330504171 1.2036297799 -1.6520194766
3.7856880778 4.7060214930 4.8458579751 0.0034171568 >
0.1947646549 -0.0321679495 0.0130926727 0.6349461633 >
-0.1012304929
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.6091817978 2.3592305827 1.8737619605 0.0000000005 >
-0.0000000282 -0.4585544632 0.0000000030 -0.0000000971 >
-0.4728558829
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 0.649114I A.U.
0.4619757068 1.8726716854 1.1230752202 -0.0000000273 >
-0.0000000082 0.5162479197 -0.0000000422 -0.0000000033 >
0.4138267359
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
2.6165193020 3.3683350924 2.9947899449 0.1849175866 >
-0.1489337155 0.0768413451 0.2763131442 -0.2230381956 >
0.0152517037
CT 3 0.5330503519 1.2036297214 -1.6520197438
2.6417479689 3.0435245737 3.0586265225 0.0030101433 >
-0.2337452218 -0.0823956713 0.0014860458 -0.3411256846 >
-0.0346151479
CT 4 0.5381313265 -1.9335382624 -0.2390654389
2.6165183944 3.3683341785 2.9947895611 -0.1849176170 >
0.1489337226 0.0768412573 -0.2763131930 0.2230382089 >
0.0152516216
CT 5 -0.4711689826 0.6638033962 1.9099965574
2.0212419628 2.4153836892 2.4722108383 -0.1824238468 >
0.0533436512 -0.0201451977 -0.2769891942 0.0011896925 >
0.0207812300
CT 6 0.0000000076 -3.3404883808 2.0442670379
1.3578553565 2.7687688878 2.1070732860 -0.0000000145 >
0.0000000122 -0.7522664373 -0.0000000176 0.0000000142 >
-0.7891282799
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.5871373725 1.3818608447 2.1669563335 0.0000000235 >
0.0000000198 -0.0164350276 0.0000000363 0.0000000297 >
0.0356739440
CT 8 0.0000000047 -3.4793856287 -1.9749475327
1.3348065464 2.9466161063 1.9834514363 -0.0000000096 >
-0.0000000039 0.7231933433 -0.0000000118 -0.0000000052 >
0.6988558002
CT 9 0.0000000043 3.3443061499 2.0393119743
1.3572967757 2.7838139366 2.0762473096 0.0000000076 >
0.0000000058 0.7328716671 0.0000000094 0.0000000070 >
0.7712986060
CT 10 0.0000000018 -0.0035073235 -4.0551188440
1.3586744950 1.6067446316 3.2948678940 0.0000000001 >
-0.0000000041 0.0130494504 0.0000000001 -0.0000000049 >
0.0139084591
CT 11 0.4711689168 0.6638035179 1.9099965966
2.0212414767 2.4153835674 2.4722103854 0.1824238672 >
-0.0533436182 -0.0201453530 0.2769892264 -0.0011896513 >
0.0207810968
CT 12 0.0000000028 3.4827518403 -1.9688186078
1.3344911800 2.9634555550 1.9661741456 0.0000000048 >
-0.0000000041 -0.7098563050 0.0000000062 -0.0000000046 >
-0.6871462521
CT 13 0.0000000069 -0.0100627681 3.3457382558
1.2243527539 1.7264123443 2.5706413860 0.0000000006 >
0.0000000139 -0.0261854389 0.0000000005 0.0000000184 >
-0.0247248940
CT 14 -0.5330504171 1.2036297799 -1.6520194766
2.6417491546 3.0435253098 3.0586274161 -0.0030101187 >
0.2337451850 -0.0823959730 -0.0014860106 0.3411256310 >
-0.0346154233
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.6108307204 2.0365366324 1.5939039759 -0.0000000001 >
-0.0000000350 -0.4292195855 0.0000000003 -0.0000000522 >
-0.4353992065
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 1.153904I A.U.
0.3903153100 1.2372886237 0.7711810275 -0.0000000207 >
-0.0000000007 0.3160717005 -0.0000000192 -0.0000000038 >
0.2837578991
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
1.4323209932 1.6256441334 1.5094558005 0.1501691673 >
-0.1067004935 0.0559152072 0.0954018450 -0.0924028114 >
0.0348388313
CT 3 0.5330503519 1.2036297214 -1.6520197438
1.4460198249 1.5376544329 1.5040118699 -0.0017870546 >
-0.1739684389 -0.0391693407 -0.0028548805 -0.1304792169 >
-0.0040541755
CT 4 0.5381313265 -1.9335382624 -0.2390654389
1.4323205687 1.6256437887 1.5094557648 -0.1501691949 >
0.1067004985 0.0559151524 -0.0954018640 0.0924028160 >
0.0348387826
CT 5 -0.4711689826 0.6638033962 1.9099965574
1.1953657310 1.2642745419 1.2885155198 -0.1348139671 >
-0.0047022868 -0.0229035889 -0.1259464328 0.0215161757 >
-0.0263993554
CT 6 0.0000000076 -3.3404883808 2.0442670379
0.8920301229 1.5390485760 1.2435709026 -0.0000000088 >
0.0000000072 -0.3236752313 -0.0000000076 0.0000000058 >
-0.3398758881
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.4717530269 0.8718324599 1.4232095551 0.0000000197 >
0.0000000140 -0.0128430088 0.0000000124 0.0000000122 >
0.0009737973
CT 8 0.0000000047 -3.4793856287 -1.9749475327
0.8789922246 1.6144925159 1.2017888503 -0.0000000058 >
-0.0000000025 0.3160653466 -0.0000000049 -0.0000000023 >
0.3122301945
CT 9 0.0000000043 3.3443061499 2.0393119743
0.8914924766 1.5499509507 1.2246932594 0.0000000047 >
0.0000000035 0.3123138593 0.0000000041 0.0000000029 >
0.3295693634
CT 10 0.0000000018 -0.0035073235 -4.0551188440
0.8959885385 1.0261677026 1.7713192681 0.0000000000 >
-0.0000000025 0.0081826144 0.0000000000 -0.0000000021 >
0.0086158838
CT 11 0.4711689168 0.6638035179 1.9099965966
1.1953654838 1.2642745695 1.2885153476 0.1348139827 >
0.0047023123 -0.0229036810 0.1259464482 -0.0215161574 >
-0.0263994363
CT 12 0.0000000028 3.4827518403 -1.9688186078
0.8787933630 1.6254284158 1.1905314860 0.0000000030 >
-0.0000000024 -0.3076651778 0.0000000027 -0.0000000019 >
-0.3046992858
CT 13 0.0000000069 -0.0100627681 3.3457382558
0.7809265089 1.0245965477 1.4281703894 0.0000000002 >
0.0000000077 -0.0148336465 0.0000000001 0.0000000081 >
-0.0156761517
CT 14 -0.5330504171 1.2036297799 -1.6520194766
1.4460203870 1.5376546398 1.5040121678 0.0017870738 >
0.1739684107 -0.0391695298 0.0028548959 0.1304791951 >
-0.0040543442
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.4850044177 1.3105692559 1.0256113102 0.0000000005 >
-0.0000000265 -0.2813006785 0.0000000006 -0.0000000199 >
-0.2836661181
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 2.307592I A.U.
0.2137173887 0.5046888219 0.3401945113 -0.0000000091 >
0.0000000003 0.1125955274 -0.0000000057 -0.0000000023 >
0.1145955041
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
0.5376794835 0.5472983730 0.5201527693 0.0600861746 >
-0.0451302414 0.0200578502 0.0198254655 -0.0265899969 >
0.0176332632
CT 3 0.5330503519 1.2036297214 -1.6520197438
0.5416432216 0.5292493238 0.5111105536 -0.0049458029 >
-0.0696677304 -0.0117495117 -0.0043641704 -0.0320992451 >
-0.0006870064
CT 4 0.5381313265 -1.9335382624 -0.2390654389
0.5376793541 0.5472982855 0.5201527931 -0.0600861877 >
0.0451302429 0.0200578299 -0.0198254710 0.0265899977 >
0.0176332457
CT 5 -0.4711689826 0.6638033962 1.9099965574
0.4798261057 0.4502683370 0.4658970920 -0.0575067673 >
-0.0067838336 -0.0094758849 -0.0367500433 0.0163763915 >
-0.0179053728
CT 6 0.0000000076 -3.3404883808 2.0442670379
0.3759214077 0.5382662202 0.4621793478 -0.0000000035 >
0.0000000027 -0.0807231663 -0.0000000022 0.0000000016 >
-0.0854966979
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.2407796071 0.3548567765 0.5665804223 0.0000000081 >
0.0000000058 -0.0034570138 0.0000000026 0.0000000035 >
-0.0045805133
CT 8 0.0000000047 -3.4793856287 -1.9749475327
0.3694760771 0.5574920900 0.4537191327 -0.0000000023 >
-0.0000000010 0.0811203330 -0.0000000014 -0.0000000007 >
0.0817857916
CT 9 0.0000000043 3.3443061499 2.0393119743
0.3756381474 0.5427517608 0.4551441658 0.0000000018 >
0.0000000013 0.0765671090 0.0000000012 0.0000000008 >
0.0819063637
CT 10 0.0000000018 -0.0035073235 -4.0551188440
0.3768494484 0.4064683840 0.5990142407 0.0000000000 >
-0.0000000010 0.0030612399 0.0000000000 -0.0000000006 >
0.0032416895
CT 11 0.4711689168 0.6638035179 1.9099965966
0.4798260257 0.4502683693 0.4658970506 0.0575067744 >
0.0067838450 -0.0094759173 0.0367500480 -0.0163763853 >
-0.0179054036
CT 12 0.0000000028 3.4827518403 -1.9688186078
0.3693922446 0.5616977866 0.4493642051 0.0000000012 >
-0.0000000009 -0.0778816596 0.0000000008 -0.0000000005 >
-0.0789674497
CT 13 0.0000000069 -0.0100627681 3.3457382558
0.3328146233 0.3875805350 0.5205678176 0.0000000000 >
0.0000000029 -0.0050259622 0.0000000000 0.0000000024 >
-0.0062495356
CT 14 -0.5330504171 1.2036297799 -1.6520194766
0.5416433959 0.5292493549 0.5111106160 0.0049458118 >
0.0696677180 -0.0117495799 0.0043641753 0.0320992388 >
-0.0006870680
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.2449701401 0.5181676277 0.4143432187 0.0000000007 >
-0.0000000108 -0.1039211940 0.0000000007 -0.0000000049 >
-0.1043168110
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W= 5.957643I A.U.
0.0520774397 0.0963567661 0.0706344895 -0.0000000018 >
0.0000000000 0.0177908297 -0.0000000009 -0.0000000005 >
0.0195446847
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
0.1025935745 0.0973652734 0.0914189142 0.0105693624 >
-0.0086957912 0.0032479226 0.0021647347 -0.0043216732 >
0.0032164561
CT 3 0.5330503519 1.2036297214 -1.6520197438
0.1030796356 0.0935524803 0.0908697204 -0.0015955972 >
-0.0126082246 -0.0027348327 -0.0012323461 -0.0044244190 >
-0.0009672233
CT 4 0.5381313265 -1.9335382624 -0.2390654389
0.1025935541 0.0973652612 0.0914189207 -0.0105693651 >
0.0086957914 0.0032479189 -0.0021647356 0.0043216732 >
0.0032164530
CT 5 -0.4711689826 0.6638033962 1.9099965574
0.0959948272 0.0819300782 0.0870380177 -0.0111998944 >
-0.0009581471 -0.0008320605 -0.0058801330 0.0041364728 >
-0.0029416093
CT 6 0.0000000076 -3.3404883808 2.0442670379
0.0744794029 0.0933766931 0.0842789113 -0.0000000007 >
0.0000000005 -0.0099011173 -0.0000000004 0.0000000003 >
-0.0107373030
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.0553232645 0.0705859599 0.1044511628 0.0000000015 >
0.0000000011 -0.0000795833 0.0000000003 0.0000000006 >
-0.0008116678
CT 8 0.0000000047 -3.4793856287 -1.9749475327
0.0730468244 0.0961203971 0.0831518019 -0.0000000004 >
-0.0000000002 0.0102944037 -0.0000000002 -0.0000000001 >
0.0104843548
CT 9 0.0000000043 3.3443061499 2.0393119743
0.0744270979 0.0942070745 0.0830330030 0.0000000003 >
0.0000000002 0.0091674240 0.0000000002 0.0000000001 >
0.0101259975
CT 10 0.0000000018 -0.0035073235 -4.0551188440
0.0744725545 0.0769909991 0.1014364475 0.0000000000 >
-0.0000000002 0.0005421394 0.0000000000 -0.0000000001 >
0.0005759187
CT 11 0.4711689168 0.6638035179 1.9099965966
0.0959948142 0.0819300855 0.0870380123 0.0111998958 >
0.0009581494 -0.0008320658 0.0058801338 -0.0041364717 >
-0.0029416146
CT 12 0.0000000028 3.4827518403 -1.9688186078
0.0730306279 0.0968761729 0.0823709643 0.0000000002 >
-0.0000000002 -0.0097100624 0.0000000001 -0.0000000001 >
-0.0099874063
CT 13 0.0000000069 -0.0100627681 3.3457382558
0.0690773901 0.0741987061 0.0973952710 0.0000000000 >
0.0000000005 -0.0008496646 0.0000000000 0.0000000004 >
-0.0011766198
CT 14 -0.5330504171 1.2036297799 -1.6520194766
0.1030796634 0.0935524827 0.0908697275 0.0015955990 >
0.0126082222 -0.0027348441 0.0012323470 0.0044244180 >
-0.0009672336
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.0558019905 0.0965603958 0.0801535793 0.0000000002 >
-0.0000000020 -0.0166164075 0.0000000002 -0.0000000007 >
-0.0166331872
CT 1 0.0000000489 -0.9387701659 2.0049508142 -- FOR W=32.239080I A.U.
0.0021007929 0.0035643128 0.0027100627 -0.0000000001 >
0.0000000000 0.0005887184 0.0000000000 0.0000000000 >
0.0006609531
CT 2 -0.5381313999 -1.9335381069 -0.2390655743
0.0037818804 0.0035271202 0.0032787034 0.0003748296 >
-0.0003154465 0.0001110114 0.0000663316 -0.0001506119 >
0.0001123623
CT 3 0.5330503519 1.2036297214 -1.6520197438
0.0037945713 0.0033659998 0.0032874649 -0.0000630728 >
-0.0004526787 -0.0001134552 -0.0000468246 -0.0001489075 >
-0.0000522283
CT 4 0.5381313265 -1.9335382624 -0.2390654389
0.0037818797 0.0035271198 0.0032787036 -0.0003748297 >
0.0003154465 0.0001110113 -0.0000663317 0.0001506119 >
0.0001123622
CT 5 -0.4711689826 0.6638033962 1.9099965574
0.0036115459 0.0029942830 0.0032127429 -0.0004129019 >
-0.0000271633 -0.0000099848 -0.0002063242 0.0001603229 >
-0.0000885276
CT 6 0.0000000076 -3.3404883808 2.0442670379
0.0027595466 0.0033294323 0.0030596035 0.0000000000 >
0.0000000000 -0.0003027721 0.0000000000 0.0000000000 >
-0.0003331034
CT 7 0.0000000607 2.2279985332 -0.0207844886
0.0021715284 0.0026727630 0.0037895136 0.0000000001 >
0.0000000000 0.0000049197 0.0000000000 0.0000000000 >
-0.0000248937
CT 8 0.0000000047 -3.4793856287 -1.9749475327
0.0027075557 0.0034203835 0.0030195996 0.0000000000 >
0.0000000000 0.0003201964 0.0000000000 0.0000000000 >
0.0003269502
CT 9 0.0000000043 3.3443061499 2.0393119743
0.0027578637 0.0033594785 0.0030154923 0.0000000000 >
0.0000000000 0.0002766304 0.0000000000 0.0000000000 >
0.0003115631
CT 10 0.0000000018 -0.0035073235 -4.0551188440
0.0027592944 0.0028264157 0.0035854376 0.0000000000 >
0.0000000000 0.0000192841 0.0000000000 0.0000000000 >
0.0000205016
CT 11 0.4711689168 0.6638035179 1.9099965966
0.0036115454 0.0029942833 0.0032127428 0.0004129020 >
0.0000271633 -0.0000099850 0.0002063243 -0.0001603229 >
-0.0000885277
CT 12 0.0000000028 3.4827518403 -1.9688186078
0.0027070074 0.0034474076 0.0029917480 0.0000000000 >
0.0000000000 -0.0002992966 0.0000000000 0.0000000000 >
-0.0003092848
CT 13 0.0000000069 -0.0100627681 3.3457382558
0.0026685071 0.0028064538 0.0036421564 0.0000000000 >
0.0000000000 -0.0000301383 0.0000000000 0.0000000000 >
-0.0000430305
CT 14 -0.5330504171 1.2036297799 -1.6520194766
0.0037945723 0.0033659998 0.0032874651 0.0000630729 >
0.0004526786 -0.0001134556 0.0000468246 0.0001489075 >
-0.0000522287
CT 15 0.0000000668 -1.1506323026 -2.0347904911
0.0021806106 0.0035291962 0.0029874907 0.0000000000 >
-0.0000000001 -0.0005526842 0.0000000000 0.0000000000 >
-0.0005528678
STOP
PROJECTION BASIS SET
A01N1 0.0000000000 0.0000000000 2.6342267707 5.0
S 6
1 6293.4800000000 0.99196821
2 949.0440000000 1.82323973
3 218.7760000000 2.97989064
4 63.6916000000 4.00000703
5 18.8282000000 3.88100769
6 2.7202300000 0.38676433
L 3
7 30.6331000000 1.03850116 3.93561562
8 7.0261400000 2.83479441 3.87099402
9 2.1120500000 -0.00320800 2.96727076
L 1
10 0.6840090000 0.53605142 0.88668091
L 1
11 0.2008780000 0.21385006 0.19169269
L 1
12 0.0639000000 0.09058071 0.04579480
D 1
13 3.6520000000 15.87955404
D 1
14 0.9130000000 1.40356754
D 1
15 0.2282500000 0.12405902
F 1
16 1.0000000000 1.47215809
A02C2 0.0000000000 -2.1559505849 1.3075446410 4.0
S 6
17 4563.2400000000 0.77820176
18 682.0240000000 1.44869481
19 154.9730000000 2.38308933
20 44.4553000000 3.20008901
21 13.0290000000 3.01300444
22 1.8277300000 0.24759863
L 3
23 20.9642000000 0.80062852 2.57359222
24 4.8033100000 2.12741989 2.40824822
25 1.4593300000 -0.00286791 1.86528133
L 1
26 0.4834560000 0.41321665 0.57462733
L 1
27 0.1455850000 0.16797613 0.12818461
L 1
28 0.0438000000 0.06823633 0.02856161
D 1
29 2.5040000000 8.20388425
D 1
30 0.6260000000 0.72512777
D 1
31 0.1565000000 0.06409285
F 1
32 0.8000000000 0.89105994
A03H3 0.0000000000 -3.8832735212 2.4060612549 1.0
S 3
33 33.8650000000 0.25506932
34 5.0947900000 0.46010866
35 1.1587900000 0.67832145
S 1
36 0.3258400000 0.30737135
S 1
37 0.1027410000 0.12933556
S 1
38 0.0360000000 0.05890294
P 1
39 1.5000000000 2.36621477
P 1
40 0.3750000000 0.41829163
A04C4 0.0000000000 -2.2564273156 -1.3221980435 4.0
S 6
41 4563.2400000000 0.77820176
42 682.0240000000 1.44869481
43 154.9730000000 2.38308933
44 44.4553000000 3.20008901
45 13.0290000000 3.01300444
46 1.8277300000 0.24759863
L 3
47 20.9642000000 0.80062852 2.57359222
48 4.8033100000 2.12741989 2.40824822
49 1.4593300000 -0.00286791 1.86528133
L 1
50 0.4834560000 0.41321665 0.57462733
L 1
51 0.1455850000 0.16797613 0.12818461
L 1
52 0.0438000000 0.06823633 0.02856161
D 1
53 2.5040000000 8.20388425
D 1
54 0.6260000000 0.72512777
D 1
55 0.1565000000 0.06409285
F 1
56 0.8000000000 0.89105994
A05H5 0.0000000000 -4.0610022504 -2.2790607974 1.0
S 3
57 33.8650000000 0.25506932
58 5.0947900000 0.46010866
59 1.1587900000 0.67832145
S 1
60 0.3258400000 0.30737135
S 1
61 0.1027410000 0.12933556
S 1
62 0.0360000000 0.05890294
P 1
63 1.5000000000 2.36621477
P 1
64 0.3750000000 0.41829163
A06C6 0.0000000000 0.0000000000 -2.6700828988 4.0
S 6
65 4563.2400000000 0.77820176
66 682.0240000000 1.44869481
67 154.9730000000 2.38308933
68 44.4553000000 3.20008901
69 13.0290000000 3.01300444
70 1.8277300000 0.24759863
L 3
71 20.9642000000 0.80062852 2.57359222
72 4.8033100000 2.12741989 2.40824822
73 1.4593300000 -0.00286791 1.86528133
L 1
74 0.4834560000 0.41321665 0.57462733
L 1
75 0.1455850000 0.16797613 0.12818461
L 1
76 0.0438000000 0.06823633 0.02856161
D 1
77 2.5040000000 8.20388425
D 1
78 0.6260000000 0.72512777
D 1
79 0.1565000000 0.06409285
F 1
80 0.8000000000 0.89105994
A07H7 0.0000000000 0.0000000000 -4.7136892737 1.0
S 3
81 33.8650000000 0.25506932
82 5.0947900000 0.46010866
83 1.1587900000 0.67832145
S 1
84 0.3258400000 0.30737135
S 1
85 0.1027410000 0.12933556
S 1
86 0.0360000000 0.05890294
P 1
87 1.5000000000 2.36621477
P 1
88 0.3750000000 0.41829163
A08C8 0.0000000000 2.2564273156 -1.3221980435 4.0
S 6
89 4563.2400000000 0.77820176
90 682.0240000000 1.44869481
91 154.9730000000 2.38308933
92 44.4553000000 3.20008901
93 13.0290000000 3.01300444
94 1.8277300000 0.24759863
L 3
95 20.9642000000 0.80062852 2.57359222
96 4.8033100000 2.12741989 2.40824822
97 1.4593300000 -0.00286791 1.86528133
L 1
98 0.4834560000 0.41321665 0.57462733
L 1
99 0.1455850000 0.16797613 0.12818461
L 1
100 0.0438000000 0.06823633 0.02856161
D 1
101 2.5040000000 8.20388425
D 1
102 0.6260000000 0.72512777
D 1
103 0.1565000000 0.06409285
F 1
104 0.8000000000 0.89105994
A09H9 0.0000000000 4.0610022504 -2.2790607974 1.0
S 3
105 33.8650000000 0.25506932
106 5.0947900000 0.46010866
107 1.1587900000 0.67832145
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
A10C10 0.0000000000 2.1559505849 1.3075446410 4.0
S 6
113 4563.2400000000 0.77820176
114 682.0240000000 1.44869481
115 154.9730000000 2.38308933
116 44.4553000000 3.20008901
117 13.0290000000 3.01300444
118 1.8277300000 0.24759863
L 3
119 20.9642000000 0.80062852 2.57359222
120 4.8033100000 2.12741989 2.40824822
121 1.4593300000 -0.00286791 1.86528133
L 1
122 0.4834560000 0.41321665 0.57462733
L 1
123 0.1455850000 0.16797613 0.12818461
L 1
124 0.0438000000 0.06823633 0.02856161
D 1
125 2.5040000000 8.20388425
D 1
126 0.6260000000 0.72512777
D 1
127 0.1565000000 0.06409285
F 1
128 0.8000000000 0.89105994
A11H11 0.0000000000 3.8832735212 2.4060612549 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
STOP
MULTIPLICITY 1
STOP
PROJECTION WAVEFUNCTION 15 320
1 1 5.40950951E-02 9.32798877E-02-1.19544397E-08 1.56980739E-01 9.25885748E-02
1 2-2.38821753E-01-1.78441313E-08 2.29045284E-01 1.38778750E-01-2.17922324E-01
1 3-2.02574241E-08 2.20812485E-01 1.48778529E-01-3.07591344E-02-2.21262916E-09
1 4 1.97408879E-02 2.07514285E-02 4.98624542E-03 2.57963969E-03 2.86937476E-03
1 5 1.51086444E-11 1.33506134E-10-3.38438135E-03 1.88645492E-02-1.27238314E-04
1 6 4.29995984E-03 1.27378048E-10 1.19945945E-09-2.74982480E-02 1.78311626E-02
1 7 1.16870198E-02-8.01272104E-03 2.23794118E-10 2.83660720E-09-2.59517777E-02
1 8-2.58558652E-10 8.66326296E-03-7.88193523E-04-2.47112157E-03-1.17837594E-03
1 9-5.61747765E-10 7.67853884E-03-2.77580265E-10 3.24461721E-03-2.99767317E-11
1 10 5.68864015E-02 9.87105964E-02-7.41279860E-09-1.36460542E-01-8.09492315E-02
1 11-2.46387291E-01-1.14756255E-08-1.92922691E-01-1.13294832E-01 1.06443288E-03
1 12-6.44024832E-09-9.85018673E-03-5.31137976E-03-3.81344467E-02-1.05673197E-09
1 13-2.92709367E-02 2.23129782E-02 6.65469682E-03 1.06486517E-04 5.77376869E-03
1 14-1.72777821E-10-7.74685767E-11-5.07849050E-03 2.41642721E-02-7.46800010E-03
1 15 1.47137548E-02-1.35892798E-09-6.18036185E-10-2.23383536E-02 1.18581226E-02
1 16 3.40255860E-02 2.67446813E-02 8.13349733E-10-4.01029830E-10 7.79712050E-03
1 17-5.83474465E-12-5.48625888E-03 3.60108958E-03 2.10616002E-03 1.56133065E-03
1 18-5.55822325E-10-5.35256354E-03-2.81716281E-10-1.07010492E-03-2.31138485E-10
1 19 1.16855366E-02 2.56583268E-02 5.87867382E-04-1.80785703E-02-2.07120211E-10
1 20-1.15437526E-03-2.09720571E-03-3.50882334E-10-4.02273467E-03-2.36776636E-03
1 21-6.30646435E-03-1.14296623E-02-9.91095106E-10-1.24269992E-03 1.73558826E-02
1 22 3.27029838E-02-1.46487484E-09-1.43450873E-04 2.54947094E-02-6.13033442E-03
1 23-2.47867606E-09-2.27985398E-02 1.57849660E-02 5.45968258E-02 3.44200544E-10
1 24 1.73865999E-02 4.71004937E-03-4.13539836E-04-7.89438862E-04-4.87498875E-04
1 25 2.21630316E-11-1.10875990E-10-1.18873553E-03-1.85681184E-03 3.49563741E-04
1 26 3.92741631E-03 1.88252058E-10-9.58229492E-10-1.01307474E-02-5.74111587E-03
1 27-2.07328346E-02 5.43070348E-03-9.64335921E-10-1.12697662E-09-5.91206153E-03
1 28 1.80122397E-11 1.93891295E-03 4.10758688E-03 3.19875838E-04-3.00400782E-04
1 29 5.00028669E-11-2.09855022E-03-2.13700698E-10-1.66959509E-03-6.69187620E-11
1 30-7.60714688E-03-1.80870008E-02-1.10998507E-02 4.41666618E-03 3.62094277E-12
1 31-3.63787198E-04 5.69275118E-04-2.38363148E-10-1.46310523E-03 1.95570676E-03
1 32-1.12150063E-03-1.99430982E-03 2.60464090E-09-4.46045686E-03 2.46980008E-03
1 33 3.82653524E-03 3.90739108E-09-4.59102505E-03 2.04604590E-03 2.63009042E-02
1 34 7.05338702E-09-3.22083091E-02 3.83490179E-02 4.51543860E-02 8.20638967E-10
1 35 1.46545308E-02 8.91299673E-03-1.62192030E-05-2.00576112E-06 2.86041369E-05
1 36 2.45521513E-11-8.83376048E-13-1.63426897E-04 2.51968190E-04-3.10097268E-03
1 37-4.80278512E-04 2.03586435E-10 2.04187349E-11 9.96017574E-04 2.61311670E-03
1 38-1.96348402E-02 1.87438134E-02 2.41182567E-10 1.24595506E-09-5.00149946E-03
1 39 9.38803389E-11 8.21708313E-04 1.93288832E-04-9.33903664E-05 4.75964858E-05
1 40 1.10471295E-10-1.05548240E-03 6.43039721E-11 1.82609662E-05 3.43100771E-11
1 41 4.19559428E-04 5.05504600E-04 3.22140798E-04 1.00817769E-03 7.46680584E-11
1 42-1.05583317E-05 2.79890543E-05 3.83543879E-10-1.97065861E-04 5.73579360E-04
1 43-1.57493890E-03-2.80669163E-03 1.03619549E-09 1.09409474E-04 5.26763741E-03
1 44 6.50287792E-03 1.68428267E-09-1.75836630E-05 5.80484598E-03 5.42679193E-03
1 45 4.29639557E-10 3.69518114E-02-2.71735551E-02-1.31066267E-01 8.82111528E-10
1 46 2.66586088E-02-8.89445540E-03 1.52845592E-06-1.60930284E-04 1.36436057E-04
1 47-2.34997298E-11-8.44896811E-11-1.78396786E-04 5.00127047E-04 4.72307216E-04
1 48-3.81341557E-03-2.21738075E-10-7.23906194E-10-5.28378360E-04-2.29943468E-03
1 49-1.27432110E-02 6.34685980E-03 9.21430118E-10-9.13869079E-10 2.21611402E-02
1 50 6.24458511E-11-1.10947717E-04-2.04303632E-03-4.21570005E-05 1.95253351E-04
1 51 1.13067865E-10 1.46480664E-04-9.12317353E-11 2.52908409E-04 6.06113290E-11
1 52 7.15983482E-04 4.47286084E-04 3.64535923E-03-5.99823465E-03 6.04414101E-11
1 53-8.24527004E-05 1.08374529E-04-3.13574451E-11 1.15110249E-03-6.55751486E-04
1 54-9.11039887E-03-1.74737127E-02-5.46534913E-09-1.94842203E-02 1.85947120E-02
1 55 5.04223280E-02-8.47419336E-09-3.21926376E-02 2.48611467E-02 1.86898608E-02
1 56-3.64516860E-09-4.34955352E-02-4.12222047E-02 1.04337621E-01-5.78901061E-10
1 57-2.85428165E-02-2.63309348E-02-1.34825224E-03-2.42184469E-03-1.61590663E-05
1 58 1.72956439E-10-1.05193818E-10-1.40398755E-03-3.53231066E-03-1.67493051E-02
1 59 1.06856620E-02 1.34813264E-09-8.68663452E-10-7.58353165E-03-2.90803954E-04
1 60-1.33891262E-03-3.74382197E-03-7.15705570E-10-8.05211853E-10 2.62835765E-02
1 61 3.32935131E-11 6.10360329E-03-1.77463139E-03-1.92013709E-04-3.23109532E-04
1 62-4.97648258E-10 2.58356316E-04-1.63619435E-10-2.87311439E-03 2.22903584E-10
1 63-9.96223811E-03-2.50208069E-02-2.20243144E-02 6.76537654E-03-1.52768222E-10
1 64-7.02060758E-04 6.88147232E-04-1.70414046E-10-2.20141593E-03 7.34965536E-04
2 1-1.95775355E-03-2.89633548E-03 1.97722128E-02-6.18949026E-03-1.02397186E-02
2 2 1.06439401E-02 2.92052107E-02-1.01393594E-02-1.70228562E-02 1.33336480E-02
2 3 3.55381370E-02-2.86477281E-02-1.81338946E-02-4.27436569E-02-2.58178387E-03
2 4 1.85047490E-02 4.49755257E-03 2.44148850E-04 5.39389997E-04-1.34356090E-05
2 5-1.06183632E-03-3.87471029E-04-4.90683550E-04 2.92234095E-04 6.41804537E-03
2 6-1.24204037E-03-8.95213591E-03-3.39715958E-03-1.21817606E-03-2.40411406E-03
2 7 8.92279588E-03-4.44201232E-03-1.57282624E-02-7.17726305E-03 3.40932558E-04
2 8-2.43863254E-04-2.84823496E-03 3.82487613E-04 9.07573870E-05-4.92924277E-04
2 9 1.15709350E-03-2.53399019E-03 6.88181655E-04 8.22440017E-04 2.10676628E-03
2 10 4.53923807E-02 7.88550849E-02 9.56053453E-02 3.04505102E-03 1.12887596E-01
2 11-1.94145844E-01 1.48877624E-01 3.34865409E-03 1.54003268E-01-7.93649574E-02
2 12 1.17727215E-01 9.07893328E-03 3.55752529E-02 6.69390551E-02 1.70050911E-02
2 13 3.21172042E-04 4.29214619E-03 4.38332264E-03 5.87297030E-03-3.32085612E-04
2 14 3.00498097E-04-1.49425703E-03 1.48804151E-05 1.56965702E-02 1.58936693E-02
2 15-1.24014461E-02 2.73058101E-03-1.34256713E-02-3.08152292E-03 2.70177586E-02
2 16 2.28129979E-02 1.15184572E-02-1.07077144E-02-1.82256660E-02-2.04189878E-02
2 17 1.05604248E-03-1.34910991E-03 9.96908694E-03-1.89759172E-04-6.48233588E-04
2 18 3.28298738E-03-3.34353265E-03 6.14417297E-03-7.04081011E-04 4.09308779E-04
2 19 9.94701675E-03 3.07811927E-02 8.03145295E-03-5.84199094E-03 2.62780034E-03
2 20 1.14991323E-03 1.34626187E-03 6.92406604E-03 2.38741644E-03 1.40879639E-03
2 21 4.55532068E-02 7.90599652E-02 1.17664530E-01-5.53992254E-03-1.10897035E-01
2 22-1.92320400E-01 1.83097334E-01-7.81016762E-03-1.49976610E-01-5.53731939E-02
2 23 1.69031156E-01 3.59260887E-02-1.84462142E-01-1.55434532E-01 2.21586036E-02
2 24-3.26322105E-02-1.52149600E-02 4.62954005E-03 5.57674902E-03-1.76734604E-04
2 25 7.60178137E-04 9.13300788E-04-2.84650805E-04 1.57903691E-02 1.59011702E-02
2 26-1.04799902E-02 7.58452552E-03 8.70822927E-03-6.11450747E-04 1.81109195E-02
2 27 3.83357902E-02 2.93205486E-03 1.08485371E-02 6.61170635E-03-4.47916074E-02
2 28 1.77329338E-03 1.59652071E-04-1.02383922E-02-2.22890314E-04 7.32466998E-04
2 29 4.87086795E-03 1.72924288E-03 6.57454045E-03-1.80008271E-03-3.07490206E-04
2 30 8.29334741E-03 2.88300290E-02 1.21870583E-02-1.66539830E-04 3.10450634E-03
2 31 9.91835238E-04-1.39936935E-03 1.15167874E-02 1.87423263E-03-4.95934942E-03
2 32-1.11963408E-03-2.85775927E-03 5.49992585E-02-4.77492487E-03 7.64277775E-04
2 33 1.11594197E-02 8.71682698E-02-8.68960525E-03 3.96164280E-03 6.75853085E-03
2 34 5.94187479E-02 1.41996260E-01 3.72925765E-02 1.25080924E-01 6.62561718E-03
2 35-1.19270829E-02 4.20789789E-02-2.61173480E-04 6.43353929E-05-1.13371523E-03
2 36-1.72552649E-03 7.16961734E-04 5.72173868E-04-7.69354266E-04 7.36401819E-03
2 37-6.34438647E-03-1.43080653E-02 6.58482423E-03 5.76426398E-03-5.03111813E-03
2 38 9.27791949E-04 6.25105100E-03-1.69503235E-02-5.27387020E-04 2.80551838E-02
2 39 4.08189968E-04-1.34932759E-03-1.61068426E-03 1.97590183E-04 1.77779941E-05
2 40 3.05174607E-03 1.68954061E-03 2.50449910E-03 2.50076035E-03-2.41131402E-03
2 41-5.78352513E-03-1.17461120E-02-5.10714175E-03 9.75568131E-03 1.43777313E-03
2 42-4.25938231E-04-1.01061053E-04 3.97783395E-03-1.19438975E-03 7.68662400E-04
2 43-1.52954770E-03-2.66392429E-03-2.48135598E-02-3.93618577E-03-1.53478607E-03
2 44 6.55355042E-03-3.75417874E-02-3.42570114E-03-1.43556347E-03-1.23376320E-01
2 45-3.60896390E-02 6.86219478E-02 5.10992305E-02-1.25249206E-01-1.56497360E-02
2 46 1.46028104E-03-2.53816780E-02-4.12622572E-05 4.33411749E-05-1.28025445E-05
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15 44 3.97850529E-02-4.20187691E-09-2.60631406E-02-1.81123489E-02 2.66068171E-02
15 45-3.33513531E-09 5.59584162E-02 1.09357563E-01 1.55200661E-01 5.06913214E-10
15 46-3.57806654E-02 4.49229855E-02-9.27311015E-04-1.97767450E-03-1.60972666E-04
15 47 1.17408401E-10 9.89484766E-11 7.40020363E-04-2.99927701E-03-9.32523227E-03
15 48 1.12233657E-02 1.00495042E-09 7.75078749E-10 7.10223839E-03-1.27914865E-02
15 49-3.05187109E-02 3.47705917E-02 1.02273038E-09 1.04529667E-09 7.73842183E-03
15 50 5.51990507E-11 2.23913243E-03 2.04283507E-03 1.59005944E-04 3.97244658E-04
15 51-3.00912632E-10-3.38295812E-03-1.75739435E-11-3.51155713E-03-1.21069751E-10
15 52-8.87917422E-03-2.03947188E-02-7.59158849E-03 1.31953459E-02-5.40289671E-11
15 53-2.42176682E-04-7.74140026E-04-1.37920419E-10-6.27234433E-04-1.96053815E-03
15 54-1.45612357E-03-2.42965262E-03 2.58617679E-09 5.28128779E-04-6.20338438E-03
15 55 6.17010255E-03 3.81682169E-09 4.73300297E-04-5.13406043E-03-1.37537804E-01
15 56 5.17569962E-09-2.79319477E-02 6.51435991E-02-1.16737313E-01 1.38022094E-09
15 57 1.18388195E-02 2.50005443E-02 4.78597560E-05 1.47940017E-05 3.09102647E-04
15 58-1.41416424E-11 5.06383038E-11 2.60214470E-05 1.26092446E-03-7.61635092E-04
15 59-3.56358253E-03-1.47026655E-10 4.14969890E-10 1.44922991E-03 6.86605310E-03
15 60 9.25670039E-03-2.06117000E-02-6.41758180E-10-4.11879724E-11 2.01264917E-02
15 61 1.36030663E-10 4.49172502E-04 1.66409314E-03 4.83880498E-06-2.19503475E-04
15 62 1.31583189E-10-8.59696100E-04 4.13286587E-11-1.98803808E-04-8.27524397E-11
15 63 1.09223334E-04 2.02889873E-03-3.16497779E-03-5.12226385E-03 7.86324830E-11
15 64-2.41380981E-05 3.22299461E-05 4.22070576E-10-1.37947952E-03-1.89580523E-03
FOCK MATRIX ELEMENTS
-0.9023698261 -0.0764184809 -0.6261989041 0.0018389611 >
-0.0094541301 -0.6302619879 -0.0764184873 -0.2222172310 >
0.0464158041 -0.6261989811 0.1222622081 0.0509531011 >
0.0096787143 -0.0131833989 -0.7115549365 -0.0992519786 >
-0.0797613070 -0.0042299832 -0.0797613201 -0.0236747774 >
-0.6990570350 -0.0199015676 -0.0019537064 0.0847004934 >
-0.0019537180 0.0726650685 -0.0000441073 -0.8068986229 >
-0.0309892951 0.0782258461 0.0194205975 0.0782258529 >
0.0032583432 0.0262721833 -0.0019671154 -0.7000515472 >
-0.0475753514 -0.0029329967 0.0165174213 -0.0029329911 >
-0.0716522163 0.0076239536 0.1101390770 -0.0002023719 >
-0.6998794397 -0.0018961741 -0.0173929145 -0.0764190574 >
-0.0173929328 0.0035961920 0.0081270397 -0.0372517000 >
-0.0295151543 -0.0079636217 -0.7093322333 0.1222621873 >
-0.0131834141 -0.0393093178 0.0509530851 -0.2514463370 >
-0.0236747935 0.0726650687 0.0032583415 -0.0716522251 >
0.0035961876 -0.7115549883 -0.0015163054 -0.0040119120 >
-0.0771091164 -0.0040119099 0.0173915113 0.0002267728 >
0.1009204996 -0.0086959597 -0.0293804527 -0.0267717515 >
0.0173915182 -0.7001502075 -0.1551398533 0.0299580176 >
-0.0066669048 0.0299580289 0.1179935947 -0.0503620415 >
0.0519341323 0.0122995397 0.0449758391 0.0023831246 >
0.1179936019 0.0124392058 -0.5755102160 -0.0018389500 >
-0.0464158246 0.2196275621 0.0094541483 0.0393093303 >
0.0042299884 -0.0847005026 -0.0194205868 -0.0165174038 >
0.0764190382 -0.0096787086 0.0771091019 0.0066669079 >
-0.6302618803 -0.0139320274 -0.0840107331 0.0832130817 >
-0.0840107129 0.0019232797 0.0366575335 -0.0178873363 >
0.0998976443 -0.0021974002 0.1027215476 0.0019232902 >
-0.0355316002 0.0039497645 -0.0832130714 -0.8032313717 >
LMO CENTROIDS
CT1 0.0000000489 -0.9387701659 2.0049508142
CT2 -0.5381313999 -1.9335381069 -0.2390655743
CT3 0.5330503519 1.2036297214 -1.6520197438
CT4 0.5381313265 -1.9335382624 -0.2390654389
CT5 -0.4711689826 0.6638033962 1.9099965574
CT6 0.0000000076 -3.3404883808 2.0442670379
CT7 0.0000000607 2.2279985332 -0.0207844886
CT8 0.0000000047 -3.4793856287 -1.9749475327
CT9 0.0000000043 3.3443061499 2.0393119743
CT10 0.0000000018 -0.0035073235 -4.0551188440
CT11 0.4711689168 0.6638035179 1.9099965966
CT12 0.0000000028 3.4827518403 -1.9688186078
CT13 0.0000000069 -0.0100627681 3.3457382558
CT14 -0.5330504171 1.2036297799 -1.6520194766
CT15 0.0000000668 -1.1506323026 -2.0347904911
STOP
SCREEN2 (FROM VDWSCL= 0.700)
A01N1 1.000000000 1.813485411
A02C2 1.000000000 2.080891215
A03H3 1.000000000 2.052594435
A04C4 1.000000000 1.739212742
A05H5 1.000000000 2.013371157
A06C6 1.000000000 1.766216339
A07H7 1.000000000 1.890193306
A08C8 1.000000000 1.739212742
A09H9 1.000000000 2.013371157
A10C10 1.000000000 2.080891215
A11H11 1.000000000 2.052594435
BO21 1.000000000 10.000000000
BO32 1.000000000 1.167921920
BO42 1.000000000 10.000000000
BO54 1.000000000 1.509852004
BO64 1.000000000 10.000000000
BO76 1.000000000 1.912007001
BO86 1.000000000 10.000000000
BO98 1.000000000 1.509852004
BO101 1.000000000 10.000000000
BO108 1.000000000 10.000000000
BO1110 1.000000000 1.167921920
STOP
$END
|