/usr/share/psi/efpfrag/cyclopentane.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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Cyclopentane, S66, Elec.: 6-31+G* Rest: 6-311++G(3df,2p)
COORDINATES (BOHR)
A01C1 2.4085233906 -0.4691737988 0.0291161381 12.0000000 6.0
A02H2 3.5834645403 -0.4956954992 1.7175395468 1.0078250 1.0
A03H3 3.6391333952 -0.8979859415 -1.5620970944 1.0078250 1.0
A04C4 0.2310007019 -2.4098575900 0.2558199116 12.0000000 6.0
A05H5 0.0574000424 -3.0468958195 2.2074808716 1.0078250 1.0
A06H6 0.5364489500 -4.0797892444 -0.9050855207 1.0078250 1.0
A07C7 -2.1572877911 -0.9498953463 -0.4847311222 12.0000000 6.0
A08H8 -3.8775186558 -1.7847714893 0.2755048909 1.0078250 1.0
A09H9 -2.3412278866 -0.8821499881 -2.5395210232 1.0078250 1.0
A10C10 -1.6169742042 1.7032361154 0.5105237138 12.0000000 6.0
A11H11 -1.7486799198 1.7051667564 2.5708947727 1.0078250 1.0
A12H12 -2.9090181590 3.1344964473 -0.2083961415 1.0078250 1.0
A13C13 1.1221457126 2.1299277740 -0.3110353784 12.0000000 6.0
A14H14 2.0607538644 3.6236576324 0.7464705511 1.0078250 1.0
A15H15 1.1491768847 2.6735160744 -2.2991385869 1.0078250 1.0
BO21 2.9959939655 -0.4824346490 0.8733278425 0.0000000 0.0
BO31 3.0238283929 -0.6835798701 -0.7664904782 0.0000000 0.0
BO41 1.3197620463 -1.4395156944 0.1424680249 0.0000000 0.0
BO54 0.1442003721 -2.7283767047 1.2316503916 0.0000000 0.0
BO64 0.3837248259 -3.2448234172 -0.3246328045 0.0000000 0.0
BO74 -0.9631435446 -1.6798764682 -0.1144556053 0.0000000 0.0
BO87 -3.0174032235 -1.3673334178 -0.1046131156 0.0000000 0.0
BO97 -2.2492578389 -0.9160226672 -1.5121260727 0.0000000 0.0
BO107 -1.8871309976 0.3766703845 0.0128962958 0.0000000 0.0
BO1110 -1.6828270620 1.7042014359 1.5407092433 0.0000000 0.0
BO1210 -2.2629961816 2.4188662813 0.1510637862 0.0000000 0.0
BO131 1.7653345516 0.8303769876 -0.1409596202 0.0000000 0.0
BO1310 -0.2474142458 1.9165819447 0.0997441677 0.0000000 0.0
BO1413 1.5914497885 2.8767927032 0.2177175864 0.0000000 0.0
BO1513 1.1356612987 2.4017219242 -1.3050869827 0.0000000 0.0
STOP
MONOPOLES
A01C1 -5.9307933634 6.00000
A02H2 -0.8030317357 1.00000
A03H3 -0.7895110089 1.00000
A04C4 -5.9593812953 6.00000
A05H5 -0.8357622978 1.00000
A06H6 -0.7374712196 1.00000
A07C7 -5.9887744598 6.00000
A08H8 -0.7285224013 1.00000
A09H9 -0.8347731656 1.00000
A10C10 -5.9881878298 6.00000
A11H11 -0.8343651067 1.00000
A12H12 -0.7299775830 1.00000
A13C13 -5.9696368403 6.00000
A14H14 -0.7308405282 1.00000
A15H15 -0.8384643799 1.00000
BO21 -0.3109061171 0.00000
BO31 -0.3503265045 0.00000
BO41 0.1083200836 0.00000
BO54 -0.2906365211 0.00000
BO64 -0.3935446584 0.00000
BO74 0.3361854885 0.00000
BO87 -0.3988250679 0.00000
BO97 -0.2990834831 0.00000
BO107 0.1511160463 0.00000
BO1110 -0.2993450595 0.00000
BO1210 -0.3972600632 0.00000
BO131 0.1700234345 0.00000
BO1310 0.3633015546 0.00000
BO1413 -0.3987061522 0.00000
BO1513 -0.2908197653 0.00000
STOP
DIPOLES
A01C1 0.1313981412 -0.0345084558 -0.0123993493
A02H2 0.0343490933 -0.0032429277 0.0204476792
A03H3 0.0284101746 -0.0061180839 -0.0143790701
A04C4 0.1019328425 -0.2072356052 -0.0922885194
A05H5 -0.0085602425 -0.0410566267 0.0430325839
A06H6 -0.0039460768 -0.0021822890 0.0004811983
A07C7 -0.2887013426 -0.2046399902 0.0935962284
A08H8 0.0038621664 0.0008499126 0.0008567080
A09H9 -0.0277462346 -0.0022583298 -0.0556888581
A10C10 -0.2078761521 0.2914251584 -0.0897786742
A11H11 -0.0215959488 0.0136453010 0.0572604977
A12H12 0.0025004093 -0.0014278241 -0.0014396081
A13C13 0.1999511402 0.1781451437 0.1010504709
A14H14 -0.0039768934 -0.0006014462 -0.0012039240
A15H15 0.0059530154 0.0398302740 -0.0471665212
BO21 -0.1088864698 -0.0046088160 -0.2169101276
BO31 -0.1345471115 0.0473337304 0.1889299267
BO41 0.0751517614 -0.1051526506 -0.0680439030
BO54 0.0265536606 0.0428392985 -0.2271550344
BO64 -0.0358050437 0.1991755148 0.1587291111
BO74 0.0760850380 0.3104724458 0.1711881273
BO87 0.2130413509 0.1058263284 -0.1139952786
BO97 -0.0069590786 -0.0244820869 0.2384281812
BO107 0.1011679891 -0.0167772250 -0.0100544695
BO1110 -0.0050758948 0.0252869480 -0.2392093257
BO1210 0.1596954274 -0.1795096128 0.1087469231
BO131 -0.0536802340 0.0339485411 0.0902799274
BO1310 -0.0475630313 -0.3627970981 -0.1797960801
BO1413 -0.1137602111 -0.1807971485 -0.1485801628
BO1513 0.0147524491 -0.0371315637 0.2293933526
STOP
QUADRUPOLES
A01C1 -4.6129816061 -4.3981863653 -4.7014191006 0.0547320022 >
0.0038952986 -0.0547947171
A02H2 -0.5541736482 -0.5524893697 -0.5337669280 0.0010616290 >
0.0060258901 0.0004116185
A03H3 -0.5214236529 -0.5216958840 -0.5041810305 -0.0017492706 >
-0.0087895337 0.0040985715
A04C4 -4.6139243045 -4.8787369018 -4.8633028370 0.1109953420 >
0.0472394921 -0.1093684276
A05H5 -0.6199738081 -0.6295533187 -0.6061781874 0.0004873947 >
0.0015071736 0.0056222164
A06H6 -0.4048716857 -0.3827337630 -0.3936363661 -0.0058987453 >
-0.0043703249 0.0173077334
A07C7 -5.0579974362 -4.9044981816 -4.9137983452 -0.1895261747 >
0.1184947119 0.0631991639
A08H8 -0.3591835136 -0.3812110112 -0.3823536470 0.0133354246 >
-0.0115057437 -0.0055636566
A09H9 -0.6169901708 -0.6142996560 -0.6079473229 -0.0020273654 >
-0.0088472937 -0.0013613966
A10C10 -4.9201123577 -5.0418179436 -4.8915896635 0.1873898290 >
-0.0853651955 0.0985644685
A11H11 -0.6133298442 -0.6148427525 -0.6079683252 0.0021713698 >
0.0072509216 -0.0052533040
A12H12 -0.3752611192 -0.3725285368 -0.3866070087 -0.0171605193 >
0.0079474583 -0.0087318434
A13C13 -4.8128517667 -4.8454023174 -4.9078316551 -0.1893156704 >
-0.0868994431 -0.0988557607
A14H14 -0.3821972358 -0.3716497990 -0.3809229341 0.0136380343 >
0.0100485828 0.0143760978
A15H15 -0.6257546437 -0.6313673084 -0.6122258071 -0.0034627530 >
0.0009977044 0.0074472123
BO21 -0.2173702302 -0.2192147006 -0.1786599715 -0.0020242036 >
-0.0100099205 0.0053813888
BO31 -0.2951165292 -0.2886788837 -0.2682316500 0.0004454128 >
-0.0044294494 0.0034803090
BO41 0.3400765219 0.3788805033 0.6257639370 0.2174165930 >
0.0275510717 -0.1006568499
BO54 -0.1754412685 -0.1689568642 -0.1415561522 -0.0035479104 >
0.0005555629 0.0176523091
BO64 -0.3912579490 -0.3911423227 -0.3819863266 -0.0020825341 >
-0.0043347787 0.0044149121
BO74 1.7710880498 1.9429093233 2.1390455319 0.2334763955 >
0.0967366111 0.1845633564
BO87 -0.4018872152 -0.4038582516 -0.3973127735 0.0006420753 >
-0.0024018129 -0.0016903714
BO97 -0.1892661846 -0.1976531760 -0.1855899382 0.0067473639 >
-0.0166236616 -0.0044127101
BO107 0.9880915281 0.6941762203 1.2543136179 -0.0713531196 >
-0.0138600259 -0.0193964153
BO1110 -0.1963582562 -0.1935863660 -0.1899547516 -0.0081660382 >
0.0127528086 -0.0107118833
BO1210 -0.3987762158 -0.3993561603 -0.3937006414 -0.0010502011 >
0.0016819037 -0.0021578887
BO131 1.0314767147 1.1012315417 1.2938364789 -0.0052349389 >
-0.0878571320 -0.0811775394
BO1310 1.6712089578 2.2221635130 2.2518934864 -0.1099878504 >
-0.0030114239 0.2233243102
BO1413 -0.4022975557 -0.4039710361 -0.3955104920 0.0016637912 >
0.0048554623 0.0022652774
BO1513 -0.1735051311 -0.1728221261 -0.1470958511 0.0056092256 >
0.0059644038 0.0176064700
STOP
OCTUPOLES
A01C1 1.2475305265 -0.3861401806 -0.1578740273 -0.0755372045 >
-0.0367714993 0.5021008163 -0.0306184874 0.1849759683 >
-0.0726037945 -0.0204820312
A02H2 0.0806219195 -0.0134561922 -0.0678128573 -0.0052089575 >
-0.0211051178 0.0269558998 -0.0171265121 0.0187793225 >
-0.0047656192 0.0000229402
A03H3 0.0317184392 0.0108775063 0.0965110153 0.0046988557 >
0.0326463506 0.0103457945 0.0280394337 0.0024658359 >
0.0071496441 -0.0020690267
A04C4 1.0760976989 -2.3173531992 -0.9753797949 -0.8916729815 >
-0.2192443876 0.3477147443 -0.1738156468 0.3820238161 >
-0.6383283622 -0.0235465144
A05H5 -0.0461204317 -0.1884841742 0.0510621290 -0.0604473880 >
0.0229778649 -0.0123598986 0.0236407194 -0.0149726016 >
-0.0582104751 0.0004412991
A06H6 -0.0670504888 0.2180556629 0.1376943848 0.0682313128 >
0.0441160828 -0.0259533894 0.0557137696 -0.0243201081 >
0.0757913955 -0.0025827669
A07C7 -3.0761511463 -2.2046395520 0.6146665551 -0.6046905927 >
0.0455347727 -1.1013297266 0.0522434570 -0.9777818220 >
-0.6999781106 -0.0159701285
A08H8 0.2629404584 0.1133248877 -0.0713174490 0.0463775430 >
-0.0315428946 0.0856242453 -0.0250326761 0.0848268822 >
0.0388484400 -0.0041012522
A09H9 -0.1443987099 -0.0122561188 -0.1222640601 -0.0065230495 >
-0.0463947644 -0.0501563744 -0.0453336625 -0.0498397325 >
-0.0039644338 -0.0002209887
A10C10 -2.3135009004 3.1186631389 -0.5700725812 0.9224033436 >
-0.0393137705 -0.6695196003 -0.0263620893 -0.6968489817 >
0.9828219094 -0.0106454858
A11H11 -0.1117340497 0.0764340945 0.1320552908 0.0243448052 >
0.0489204217 -0.0401654409 0.0488483090 -0.0396164974 >
0.0252778870 -0.0005587605
A12H12 0.1874950175 -0.2001787863 0.0617418406 -0.0721263360 >
0.0244243255 0.0696191566 0.0253770305 0.0621923609 >
-0.0658100136 -0.0049067165
A13C13 2.2789532515 2.0983865650 0.9756127637 0.7413166544 >
0.1854194149 0.6410970735 0.1834955860 0.7071066382 >
0.5732824803 -0.0313562410
A14H14 -0.1526809000 -0.2091887890 -0.1275580442 -0.0710825782 >
-0.0445951697 -0.0575871909 -0.0496962264 -0.0540293809 >
-0.0720342491 -0.0059189439
A15H15 0.0213334839 0.1887569337 -0.0734953293 0.0649591921 >
-0.0300958135 0.0102537531 -0.0315216868 0.0063795921 >
0.0613276231 -0.0000724121
BO21 -0.3504948781 -0.0200515589 -0.7379521721 -0.0092329973 >
-0.2573174223 -0.1167071908 -0.2394710742 -0.1085521933 >
-0.0133874422 0.0048221376
BO31 -0.4692995041 0.1539219794 0.6223390255 0.0530128708 >
0.2140991911 -0.1556103203 0.2047308698 -0.1552718192 >
0.0536095515 -0.0017616957
BO41 2.3124594786 -2.6683895462 0.0756760288 -1.0669463905 >
-0.1230011930 0.8906216413 -0.2414257974 0.8846020725 >
-0.9874323013 0.0401250257
BO54 0.1162651519 0.1120456407 -0.7337121602 0.0432313413 >
-0.2388668136 0.0421819148 -0.2606190088 0.0449320647 >
0.0406380740 0.0019766931
BO64 -0.1144136569 0.7269429696 0.5932375859 0.2400707614 >
0.1951744993 -0.0383350971 0.2014242910 -0.0377558943 >
0.2401192922 0.0005326436
BO74 1.1293808172 3.6146375642 1.6281844478 1.3163175055 >
0.5992937383 0.7174898574 0.6765042507 0.4656933120 >
1.2481456477 0.1683329616
BO87 0.7907274287 0.3956517800 -0.4480126210 0.1330857365 >
-0.1518428188 0.2626096870 -0.1487012548 0.2614947654 >
0.1311531191 -0.0010115525
BO97 -0.0602167354 -0.1153790102 0.8164249916 -0.0478467003 >
0.2790685115 -0.0170023835 0.2677058964 -0.0132098334 >
-0.0408824365 0.0055749361
BO107 0.4252690551 0.0057885203 -0.0637882450 -0.0817572385 >
-0.0021073445 0.0433737532 -0.0397559351 0.1658724728 >
-0.0361032996 0.0631696548
BO1110 -0.0346031223 0.1278427318 -0.8260491781 0.0491637317 >
-0.2758883911 -0.0192648885 -0.2760527167 -0.0085231328 >
0.0414658101 0.0075423572
BO1210 0.5904854951 -0.6689620094 0.4288279866 -0.2241746756 >
0.1441382795 0.1976452926 0.1436946784 0.1956074979 >
-0.2216147001 -0.0017367786
BO131 -0.4058707466 0.2723204542 0.4122764076 0.0161209476 >
0.3300452164 -0.1956593648 0.2949104422 -0.0269379375 >
0.0654037791 0.0843572069
BO1310 -0.2900523012 -4.5831217235 -1.7565082549 -1.2187680544 >
-0.5122289293 0.1463436954 -0.8201110480 -0.0558955293 >
-1.5093821829 0.0881188998
BO1413 -0.4055612399 -0.6685982657 -0.5656120447 -0.2219565176 >
-0.1867123768 -0.1371485113 -0.1914643700 -0.1345305163 >
-0.2212956259 -0.0015330807
BO1513 0.0858321356 -0.1099015763 0.7461992012 -0.0363557088 >
0.2470872019 0.0363246279 0.2594936584 0.0335194956 >
-0.0419655208 0.0084058097
STOP
POLARIZABLE POINTS
CT1 0.4411983398 -3.5541173281 -0.5453637033
2.5453400197 5.6690945812 3.0469347092 -0.4800923644 >
-0.2482264134 1.7880437365 -0.5664225217 -0.2258870162 >
1.3300537019
CT2 1.7666072133 3.1535497057 0.4191472255
3.3972919545 5.0304614513 2.8783261023 1.5251218632 >
0.8290109884 1.4329685646 1.5923583326 0.6435110235 >
1.0370682177
CT3 -1.9463513598 0.3880524997 0.0151822029
2.7173639295 5.9185765500 2.2150622589 0.6843493147 >
0.3039921159 1.5469254415 0.6898534583 0.2770511696 >
1.4128940562
CT4 -1.7000612953 1.6964060156 1.9294639229
2.6624692925 2.6386731348 5.8976376747 -0.0614918389 >
-0.8386807301 0.6755332604 -0.0691598603 -0.5360355957 >
0.3612648812
CT5 3.2096776500 -0.4865372514 1.1931981207
4.2745593645 2.5081226101 4.2501667561 -0.0693488384 >
2.1220998570 -0.2371997306 -0.1857311984 1.6136800718 >
-0.1308695344
CT6 1.1359748707 2.4957000499 -1.6812334147
2.6052531040 3.0679565635 5.3331037984 0.1471784018 >
-0.4595622860 -1.5360970979 0.1040183046 -0.2597223203 >
-1.1276224121
CT7 1.7962938131 0.8455500012 -0.1374119968
3.5131455369 5.9299484376 1.7029553735 -1.6728932224 >
0.1432146681 -0.5824163290 -1.6870942930 0.1750475278 >
-0.5155892100
CT8 -2.2740669246 -0.8986978935 -1.9000289691
2.7396826370 2.5962675953 5.8256253004 0.0305373055 >
1.1185022415 0.2688640009 0.0426660787 0.7194247427 >
0.0988100410
CT9 0.1104624971 -2.8390544049 1.6010418449
2.5701344492 3.2587351796 5.1571529468 0.0542858862 >
-0.1324663351 -1.7354942500 0.1113324676 -0.1648612914 >
-1.2658676130
CT10 -0.9847022258 -1.7210583106 -0.1270713405
5.2717360063 3.6759911707 1.9525657985 -1.7180334428 >
1.0856853803 -0.5557099847 -1.6852387655 0.9984662045 >
-0.5227472691
CT11 -3.3375444806 -1.5237734740 0.0413319290
5.7352838240 3.1812934318 2.5156003384 1.5751508465 >
-1.0248593862 -0.4796374368 1.5638131309 -0.6816766630 >
-0.3399210367
CT12 1.3417684733 -1.4644074690 0.1348552973
5.0532402090 4.4876658959 1.6688864625 2.0818961447 >
-0.2026093059 -0.3640292857 2.0904885066 -0.2237427801 >
-0.2933471082
CT13 -2.5033221803 2.6861173907 0.0128665617
4.2969484421 4.6717521578 2.4801348365 -2.0463044175 >
0.7108709326 -0.7731370145 -2.0405764381 0.4572608891 >
-0.5162946461
CT14 -0.2517342918 1.9669199371 0.1132318215
6.1516479036 2.6900705873 2.0278097148 0.6276109587 >
-1.3302918584 -0.1260400974 0.5948403484 -1.2269781164 >
-0.1205228487
CT15 3.2487172692 -0.7624480057 -1.0680289990
4.4216430752 2.6685370586 3.9819355098 -0.6528301782 >
-2.0778412201 0.5511185253 -0.5300782573 -1.5671456275 >
0.4644417633
STOP
DYNAMIC POLARIZABLE POINTS
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.002792I A.U.
2.5453434319 5.6679440654 3.0441632373 -0.4798306077 >
-0.2481856025 1.7869507659 -0.5655738209 -0.2258790855 >
1.3293912194
CT 2 1.7666072133 3.1535497057 0.4191472255
3.3965587220 5.0299674474 2.8754667974 1.5244225514 >
0.8283979118 1.4319874076 1.5913875711 0.6427814103 >
1.0356743259
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.7176659400 5.9187251925 2.2185835939 0.6843568583 >
0.3037761889 1.5459039344 0.6898078287 0.2779456088 >
1.4162406759
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.6626629607 2.6384213210 5.8980628014 -0.0609367079 >
-0.8397295290 0.6770946012 -0.0689421776 -0.5375826230 >
0.3627859179
CT 5 3.2096776500 -0.4865372514 1.1931981207
4.2742740997 2.5079606504 4.2479065960 -0.0688351017 >
2.1223225030 -0.2372889973 -0.1858079802 1.6143007576 >
-0.1306307311
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.6046514317 3.0681055888 5.3322522058 0.1470701245 >
-0.4600918770 -1.5373067135 0.1033140920 -0.2602430904 >
-1.1298114092
CT 7 1.7962938131 0.8455500012 -0.1374119968
3.5131044278 5.9325719156 1.7044463969 -1.6726861381 >
0.1431470098 -0.5827629590 -1.6880179796 0.1757355304 >
-0.5167591532
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.7395213732 2.5960759647 5.8263474273 0.0299320770 >
1.1197104690 0.2694388726 0.0423424925 0.7217516072 >
0.0996164923
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.5699610980 3.2583787113 5.1556932972 0.0544000663 >
-0.1322307958 -1.7366297663 0.1123323908 -0.1652138945 >
-1.2675563186
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
5.2733365797 3.6754787999 1.9547233005 -1.7188057639 >
1.0854117160 -0.5554877542 -1.6841836284 1.0001899509 >
-0.5239073533
CT 11 -3.3375444806 -1.5237734740 0.0413319290
5.7342084635 3.1808586895 2.5134368092 1.5739673740 >
-1.0238089712 -0.4791496110 1.5627849013 -0.6796799910 >
-0.3389362002
CT 12 1.3417684733 -1.4644074690 0.1348552973
5.0546342855 4.4895636589 1.6702343768 2.0831782524 >
-0.2026912453 -0.3643921095 2.0925611881 -0.2246536552 >
-0.2935905673
CT 13 -2.5033221803 2.6861173907 0.0128665617
4.2967379555 4.6710172886 2.4781889271 -2.0451540370 >
0.7100633071 -0.7723630354 -2.0398655431 0.4561058328 >
-0.5150419755
CT 14 -0.2517342918 1.9669199371 0.1132318215
6.1525303278 2.6902097489 2.0301920646 0.6278282309 >
-1.3298026360 -0.1259412271 0.5936670807 -1.2292156338 >
-0.1213160648
CT 15 3.2487172692 -0.7624480057 -1.0680289990
4.4212599672 2.6684479540 3.9798270056 -0.6528538348 >
-2.0777561509 0.5510849421 -0.5297529291 -1.5678095100 >
0.4648704075
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.015107I A.U.
2.5441878788 5.6632154425 3.0425819753 -0.4793609222 >
-0.2479672032 1.7849685936 -0.5649216845 -0.2256732089 >
1.3281009082
CT 2 1.7666072133 3.1535497057 0.4191472255
3.3944478441 5.0259464237 2.8740514549 1.5227380198 >
0.8275306030 1.4303873038 1.5895702705 0.6421779378 >
1.0346854091
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.7158223231 5.9142301191 2.2172236087 0.6837965581 >
0.3035265774 1.5446344161 0.6892340902 0.2776907378 >
1.4149358256
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.6613907749 2.6372107046 5.8930655494 -0.0609031248 >
-0.8388284010 0.6763841873 -0.0689400784 -0.5368359192 >
0.3622233909
CT 5 3.2096776500 -0.4865372514 1.1931981207
4.2711264596 2.5068849767 4.2450662508 -0.0687900950 >
2.1199454391 -0.2369993465 -0.1855362845 1.6125804690 >
-0.1304697343
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.6034875493 3.0663639275 5.3281153923 0.1469648415 >
-0.4596292864 -1.5356020031 0.1031952354 -0.2598796676 >
-1.1284445096
CT 7 1.7962938131 0.8455500012 -0.1374119968
3.5105008650 5.9279029055 1.7036234813 -1.6712824043 >
0.1431078668 -0.5822158630 -1.6865607496 0.1755481924 >
-0.5162834423
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.7381996358 2.5948789544 5.8214675954 0.0299210199 >
1.1185094830 0.2691714689 0.0423750429 0.7207553574 >
0.0994170360
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.5688166836 3.2564325512 5.1517915342 0.0542818402 >
-0.1320434543 -1.7347080487 0.1121902088 -0.1650562703 >
-1.2660543583
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
5.2693267195 3.6728130255 1.9536530267 -1.7173498530 >
1.0845040867 -0.5550469192 -1.6828238812 0.9992563374 >
-0.5234163615
CT 11 -3.3375444806 -1.5237734740 0.0413319290
5.7294012320 3.1789590722 2.5123606118 1.5722057360 >
-1.0227002732 -0.4786524574 1.5610225480 -0.6790785355 >
-0.3386336501
CT 12 1.3417684733 -1.4644074690 0.1348552973
5.0506957396 4.4861080023 1.6694423054 2.0814034260 >
-0.2025877154 -0.3639894888 2.0907512493 -0.2244230767 >
-0.2933352168
CT 13 -2.5033221803 2.6861173907 0.0128665617
4.2935545896 4.6674310919 2.4771433878 -2.0428496858 >
0.7092949509 -0.7715458859 -2.0375539866 0.4557087078 >
-0.5145899428
CT 14 -0.2517342918 1.9669199371 0.1132318215
6.1478164357 2.6883690375 2.0290418388 0.6272870239 >
-1.3287086216 -0.1258481640 0.5932171540 -1.2280706485 >
-0.1212051774
CT 15 3.2487172692 -0.7624480057 -1.0680289990
4.4179366045 2.6671883647 3.9772770836 -0.6520524235 >
-2.0754191997 0.5505067467 -0.5292090354 -1.5661646442 >
0.4644054188
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.039002I A.U.
2.5374372448 5.6356753955 3.0333479590 -0.4766250391 >
-0.2466938511 1.7734365642 -0.5611267787 -0.2244728615 >
1.3205882317
CT 2 1.7666072133 3.1535497057 0.4191472255
3.3821378583 5.0025245283 2.8657833782 1.5129347510 >
0.8224823349 1.4210789338 1.5789959036 0.6386624042 >
1.0289272909
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.7050793581 5.8880278494 2.2093016079 0.6805295086 >
0.3020704968 1.5372284923 0.6858889557 0.2762064285 >
1.4073364620
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.6539574845 2.6301341349 5.8639742697 -0.0607061805 >
-0.8335777760 0.6722414381 -0.0689241028 -0.5325012867 >
0.3589599722
CT 5 3.2096776500 -0.4865372514 1.1931981207
4.2527842729 2.5005978784 4.2285065136 -0.0685268107 >
2.1061151495 -0.2353147205 -0.1839568931 1.6025722850 >
-0.1295338808
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.5966836747 3.0562002192 5.3040186255 0.1463473853 >
-0.4569309845 -1.5256791834 0.1025027406 -0.2577689266 >
-1.1205011591
CT 7 1.7962938131 0.8455500012 -0.1374119968
3.4953340047 5.9006942561 1.6988261908 -1.6630979793 >
0.1428753744 -0.5790284421 -1.6780655040 0.1744590118 >
-0.5135129449
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.7304762563 2.5878834164 5.7930576320 0.0298556756 >
1.1115118124 0.2676094791 0.0425602431 0.7149716863 >
0.0982611857
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.5621284517 3.2450775918 5.1290603023 0.0535981945 >
-0.1309577048 -1.7235221621 0.1113641304 -0.1641393087 >
-1.2573242272
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
5.2459562700 3.6572786151 1.9474155602 -1.7088617219 >
1.0792101880 -0.5524749288 -1.6748943096 0.9938196503 >
-0.5205579805
CT 11 -3.3375444806 -1.5237734740 0.0413319290
5.7014040825 3.1678796467 2.5060680981 1.5619543366 >
-1.0162496639 -0.4757587384 1.5507679828 -0.6755752662 >
-0.3368707626
CT 12 1.3417684733 -1.4644074690 0.1348552973
5.0277467971 4.4659741610 1.6648248583 2.0710559893 >
-0.2019803835 -0.3616467961 2.0801998302 -0.2230818599 >
-0.2918470754
CT 13 -2.5033221803 2.6861173907 0.0128665617
4.2750062752 4.6465380293 2.4710296229 -2.0294409254 >
0.7048246250 -0.7667906398 -2.0241041407 0.4533957079 >
-0.5119565845
CT 14 -0.2517342918 1.9669199371 0.1132318215
6.1203397706 2.6776446160 2.0223392928 0.6241319128 >
-1.3223267650 -0.1253051296 0.5905922089 -1.2214031669 >
-0.1205599615
CT 15 3.2487172692 -0.7624480057 -1.0680289990
4.3985727715 2.6598312326 3.9624067159 -0.6473908812 >
-2.0618231499 0.5471411572 -0.5260419102 -1.5565938822 >
0.4616987020
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.077996I A.U.
2.5139858088 5.5410998292 3.0013190150 -0.4672258236 >
-0.2423040534 1.7339947345 -0.5481370935 -0.2203349115 >
1.2948177816
CT 2 1.7666072133 3.1535497057 0.4191472255
3.3396551626 4.9220516331 2.8370666386 1.4793701694 >
0.8051861924 1.3892529777 1.5428108993 0.6265797184 >
1.0091716918
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.6681139708 5.7977582481 2.1820765143 0.6692612656 >
0.2970405273 1.5116416866 0.6743553867 0.2711104195 >
1.3812434141
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.6281189775 2.6054966843 5.7642398243 -0.0600125007 >
-0.8155182612 0.6579498343 -0.0688209259 -0.5177986589 >
0.3479172806
CT 5 3.2096776500 -0.4865372514 1.1931981207
4.1896646934 2.4787160992 4.1714136260 -0.0676075708 >
2.0588022200 -0.2295591081 -0.1785718182 1.5683442424 >
-0.1263433788
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.5729886985 3.0210349570 5.2212195181 0.1441725810 >
-0.4476133720 -1.4916775214 0.1001217719 -0.2505962351 >
-1.0934489423
CT 7 1.7962938131 0.8455500012 -0.1374119968
3.4432037036 5.8070539936 1.6822900470 -1.6348771601 >
0.1420186128 -0.5680692070 -1.6487885756 0.1707430167 >
-0.5040004370
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.7036223929 2.5635472024 5.6956299287 0.0296190899 >
1.0874452876 0.2621876956 0.0431399122 0.6953485861 >
0.0943663750
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.5388593566 3.2058189342 5.0509063530 0.0513134806 >
-0.1272974374 -1.6851935140 0.1085529091 -0.1610035057 >
-1.2275681042
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
5.1654869835 3.6038193866 1.9259397478 -1.6796020352 >
1.0609315789 -0.5435846023 -1.6475315901 0.9751600096 >
-0.5107575933
CT 11 -3.3375444806 -1.5237734740 0.0413319290
5.6052687209 3.1296245294 2.4841402706 1.5268627879 >
-0.9941829497 -0.4658447467 1.5156790458 -0.6635400941 >
-0.3308067559
CT 12 1.3417684733 -1.4644074690 0.1348552973
4.9488036194 4.3967326388 1.6489088696 2.0353863205 >
-0.1998386607 -0.3536305010 2.0438369670 -0.2184978661 >
-0.2867248022
CT 13 -2.5033221803 2.6861173907 0.0128665617
4.2112042827 4.5747026361 2.4497180027 -1.9835520949 >
0.6895335871 -0.7505119604 -1.9780858264 0.4454508234 >
-0.5029045192
CT 14 -0.2517342918 1.9669199371 0.1132318215
6.0256938772 2.6407637642 1.9992737027 0.6132582867 >
-1.3002807340 -0.1234270387 0.5815191814 -1.1985202655 >
-0.1183517665
CT 15 3.2487172692 -0.7624480057 -1.0680289990
4.3319677465 2.6342895259 3.9110884785 -0.6314607047 >
-2.0153223581 0.5356087138 -0.5151740136 -1.5238442013 >
0.4524221604
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.138651I A.U.
2.4494627384 5.2892535699 2.9136179360 -0.4421797420 >
-0.2304939125 1.6301687739 -0.5138799080 -0.2092101063 >
1.2264417219
CT 2 1.7666072133 3.1535497057 0.4191472255
3.2249230427 4.7074508144 2.7581479503 1.3907769450 >
0.7594349160 1.3055508905 1.4474499908 0.5943533034 >
0.9567262757
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.5691047236 5.5552675489 2.1093733728 0.6389047455 >
0.2834348707 1.4424050881 0.6433150783 0.2575523189 >
1.3118050065
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.5569417883 2.5373388533 5.4998485459 -0.0580335085 >
-0.7672621355 0.6194620270 -0.0681848525 -0.4799907922 >
0.3197181884
CT 5 3.2096776500 -0.4865372514 1.1931981207
4.0205783192 2.4182012904 4.0176586769 -0.0650480528 >
1.9341829192 -0.2144546228 -0.1645264582 1.4782684169 >
-0.1180239338
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.5073776156 2.9253890184 5.0003269430 0.1379896022 >
-0.4224571459 -1.4017216040 0.0937682044 -0.2320625551 >
-1.0230843197
CT 7 1.7962938131 0.8455500012 -0.1374119968
3.3040141530 5.5562184485 1.6377477091 -1.5589082857 >
0.1393088414 -0.5387973096 -1.5701024750 0.1610309266 >
-0.4786824607
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.6295975203 2.4963624197 5.4371378206 0.0288974005 >
1.0231516202 0.2473536025 0.0442648634 0.6448487409 >
0.0845436311
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.4745859878 3.0992619277 4.8420550501 0.0456891792 >
-0.1180388184 -1.5837977096 0.1012542140 -0.1527451753 >
-1.1499953769
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
4.9496384910 3.4606080778 1.8682876735 -1.6009077414 >
1.0115508067 -0.5194951552 -1.5737168386 0.9255573385 >
-0.4847794217
CT 11 -3.3375444806 -1.5237734740 0.0413319290
5.3493477933 3.0261582456 2.4233268719 1.4342947813 >
-0.9360562345 -0.4396210233 1.4232178421 -0.6314713902 >
-0.3145949226
CT 12 1.3417684733 -1.4644074690 0.1348552973
4.7375925981 4.2116005097 1.6060365262 1.9394405771 >
-0.1937253361 -0.3325012753 1.9461074424 -0.2064559173 >
-0.2729952232
CT 13 -2.5033221803 2.6861173907 0.0128665617
4.0404946673 4.3827495961 2.3905618204 -1.8625805631 >
0.6492637606 -0.7075461308 -1.8568559612 0.4242881859 >
-0.4787459452
CT 14 -0.2517342918 1.9669199371 0.1132318215
5.7715528038 2.5421294836 1.9374418275 0.5840352255 >
-1.2406430509 -0.1183314284 0.5569291242 -1.1376997618 >
-0.1125276136
CT 15 3.2487172692 -0.7624480057 -1.0680289990
4.1537723275 2.5641432308 3.7725125050 -0.5896402773 >
-1.8929203871 0.5050947412 -0.4863098509 -1.4375319601 >
0.4278661058
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.233223I A.U.
2.2956401860 4.7327644066 2.7072814692 -0.3869081038 >
-0.2038809384 1.4069136761 -0.4400695039 -0.1842525577 >
1.0769639295
CT 2 1.7666072133 3.1535497057 0.4191472255
2.9627729549 4.2315312771 2.5710150757 1.1993800553 >
0.6599906103 1.1259156925 1.2422135189 0.5231608889 >
0.8419216378
CT 3 -1.9463513598 0.3880524997 0.0151822029
2.3470687148 5.0093683142 1.9469798840 0.5702549458 >
0.2524387862 1.2845266937 0.5732866272 0.2276903201 >
1.1588055131
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.3872091578 2.3733834681 4.9208381426 -0.0529797554 >
-0.6603948885 0.5329496201 -0.0649763482 -0.4029024375 >
0.2632049387
CT 5 3.2096776500 -0.4865372514 1.1931981207
3.6415551612 2.2723089172 3.6687556654 -0.0588501572 >
1.6659277588 -0.1822144896 -0.1350454902 1.2847769818 >
-0.1005478612
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.3491353150 2.7033941962 4.5096230175 0.1225526042 >
-0.3656228744 -1.2063456117 0.0797645105 -0.1939452992 >
-0.8757843113
CT 7 1.7962938131 0.8455500012 -0.1374119968
2.9942156939 4.9949805400 1.5361231738 -1.3874125291 >
0.1312658905 -0.4738251968 -1.3931962626 0.1404939594 >
-0.4228281915
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.4528488988 2.3353990547 4.8699740975 0.0268374319 >
0.8808235053 0.2130224015 0.0446895040 0.5417094744 >
0.0654921680
CT 9 0.1104624971 -2.8390544049 1.6010418449
2.3201813219 2.8532094918 4.3763366283 0.0354318587 >
-0.0997848582 -1.3636075368 0.0860211655 -0.1348862084 >
-0.9868141207
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
4.4651053230 3.1396841220 1.7379227886 -1.4236961725 >
0.8993013790 -0.4643961654 -1.4062750612 0.8164993126 >
-0.4280136953
CT 11 -3.3375444806 -1.5237734740 0.0413319290
4.7843041530 2.7888827279 2.2762429260 1.2346049339 >
-0.8108020069 -0.3826002517 1.2242440144 -0.5606633354 >
-0.2785863046
CT 12 1.3417684733 -1.4644074690 0.1348552973
4.2660285457 3.7987317187 1.5081860282 1.7232709696 >
-0.1782690028 -0.2869524753 1.7263908677 -0.1806818917 >
-0.2422188295
CT 13 -2.5033221803 2.6861173907 0.0128665617
3.6588775439 3.9550508911 2.2472051853 -1.6019973223 >
0.5625164611 -0.6145454602 -1.5961249216 0.3775713725 >
-0.4252347875
CT 14 -0.2517342918 1.9669199371 0.1132318215
5.1999612401 2.3216048496 1.7980990774 0.5183720687 >
-1.1047142115 -0.1066531430 0.5005572419 -1.0040307312 >
-0.0999325628
CT 15 3.2487172692 -0.7624480057 -1.0680289990
3.7554917130 2.3976027440 3.4561719864 -0.5004686072 >
-1.6297963015 0.4387519657 -0.4230875225 -1.2515397681 >
0.3744318819
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.385897I A.U.
1.9775494188 3.7376675257 2.2937164154 -0.2894532306 >
-0.1553603079 1.0293468318 -0.3158597409 -0.1394677068 >
0.8169511234
CT 2 1.7666072133 3.1535497057 0.4191472255
2.4614467728 3.3734565498 2.1909854026 0.8744517518 >
0.4886865646 0.8230118819 0.8966751493 0.3976258370 >
0.6415828117
CT 3 -1.9463513598 0.3880524997 0.0151822029
1.9364784516 4.0037489392 1.6454381085 0.4436842963 >
0.1948970968 0.9909546842 0.4447799483 0.1748944596 >
0.8882970127
CT 4 -1.7000612953 1.6964060156 1.9294639229
2.0388917322 2.0325601156 3.8971655629 -0.0417340921 >
-0.4728316151 0.3783765640 -0.0537030643 -0.2840641089 >
0.1792104183
CT 5 3.2096776500 -0.4865372514 1.1931981207
2.9437804127 1.9650736792 3.0113447082 -0.0461842832 >
1.2119741384 -0.1284961825 -0.0880311365 0.9577485698 >
-0.0722916151
CT 6 1.1359748707 2.4957000499 -1.6812334147
2.0181011925 2.2674684393 3.6197800251 0.0906543806 >
-0.2631548354 -0.8717961417 0.0555552125 -0.1348393626 >
-0.6374643899
CT 7 1.7962938131 0.8455500012 -0.1374119968
2.4302340616 3.9717872167 1.3384569135 -1.0725170479 >
0.1108134950 -0.3579784376 -1.0711616271 0.1066460232 >
-0.3236593589
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
2.0897667902 2.0024281394 3.8638365454 0.0216676303 >
0.6311183116 0.1495585041 0.0392420026 0.3822959147 >
0.0393221068
CT 9 0.1104624971 -2.8390544049 1.6010418449
1.9978983083 2.3752507135 3.5260531788 0.0231650167 >
-0.0729314308 -0.9865789041 0.0614530574 -0.1038041446 >
-0.7207560999
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
3.5757608154 2.5497179703 1.4898944727 -1.0999406146 >
0.6914856330 -0.3613337553 -1.0959006909 0.6242764367 >
-0.3288537112
CT 11 -3.3375444806 -1.5237734740 0.0413319290
3.7756595163 2.3314991733 1.9672866582 0.8967217327 >
-0.5977343676 -0.2841827816 0.8889413192 -0.4350278467 >
-0.2144456325
CT 12 1.3417684733 -1.4644074690 0.1348552973
3.4078098278 3.0477626762 1.3174336713 1.3279931460 >
-0.1450498233 -0.2097515920 1.3264804516 -0.1372564424 >
-0.1861094101
CT 13 -2.5033221803 2.6861173907 0.0128665617
2.9594563634 3.1768441065 1.9450176764 -1.1621891931 >
0.4149574812 -0.4551226128 -1.1572642190 0.2945432407 >
-0.3299604797
CT 14 -0.2517342918 1.9669199371 0.1132318215
4.1488615203 1.9155100450 1.5348437993 0.3990374093 >
-0.8520275003 -0.0847421110 0.3940427976 -0.7685938733 >
-0.0782084681
CT 15 3.2487172692 -0.7624480057 -1.0680289990
3.0261348906 2.0558917957 2.8538262408 -0.3532569823 >
-1.1854337133 0.3245761871 -0.3131494589 -0.9355672580 >
0.2821755648
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 0.649114I A.U.
1.4420795720 2.3952605625 1.6344906871 -0.1650939849 >
-0.0912462953 0.5706198525 -0.1690891711 -0.0820192777 >
0.4851719218
CT 2 1.7666072133 3.1535497057 0.4191472255
1.7060225907 2.1967785583 1.5746317086 0.4809993573 >
0.2758339312 0.4559501016 0.4850531716 0.2364552686 >
0.3840572211
CT 3 -1.9463513598 0.3880524997 0.0151822029
1.3441920283 2.6015731450 1.1945228537 0.2705419381 >
0.1166089780 0.5910368257 0.2702110764 0.1059247270 >
0.5356216573
CT 4 -1.7000612953 1.6964060156 1.9294639229
1.4669962238 1.4659608924 2.5217105588 -0.0235273663 >
-0.2424030373 0.1873283412 -0.0309799652 -0.1536244247 >
0.0923082967
CT 5 3.2096776500 -0.4865372514 1.1931981207
1.9563984117 1.4378683555 2.0474996971 -0.0271349482 >
0.6623969945 -0.0651552274 -0.0380870091 0.5549296001 >
-0.0396289695
CT 6 1.1359748707 2.4957000499 -1.6812334147
1.4616609469 1.5899673888 2.3832162094 0.0457219499 >
-0.1342961080 -0.4649710196 0.0269094812 -0.0709683700 >
-0.3587381623
CT 7 1.7962938131 0.8455500012 -0.1374119968
1.6393456651 2.5642614411 1.0164615920 -0.6460163324 >
0.0738449654 -0.2077522540 -0.6408005634 0.0653913868 >
-0.1937006284
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
1.4953286606 1.4494407746 2.5058138779 0.0125276066 >
0.3242496147 0.0699572306 0.0233954250 0.2069241629 >
0.0162391730
CT 9 0.1104624971 -2.8390544049 1.6010418449
1.4534998831 1.6461603094 2.3335277209 0.0142628844 >
-0.0440919636 -0.5276743107 0.0330690636 -0.0628794519 >
-0.4071129752
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
2.3373304951 1.7160986843 1.1039681200 -0.6638129846 >
0.4099205159 -0.2193215353 -0.6687098419 0.3745972182 >
-0.2004564719
CT 11 -3.3375444806 -1.5237734740 0.0413319290
2.4185300526 1.6323152346 1.4431102369 0.4903548068 >
-0.3358848882 -0.1613497168 0.4871142302 -0.2690393529 >
-0.1307366962
CT 12 1.3417684733 -1.4644074690 0.1348552973
2.2237048431 2.0079639415 1.0045107833 0.7963202682 >
-0.0924174871 -0.1162892011 0.7924670953 -0.0831753505 >
-0.1107524106
CT 13 -2.5033221803 2.6861173907 0.0128665617
1.9727449345 2.0938005090 1.4298070943 -0.6347933875 >
0.2334675979 -0.2574448495 -0.6324661257 0.1840093749 >
-0.2042313117
CT 14 -0.2517342918 1.9669199371 0.1132318215
2.6874937333 1.3313232806 1.1301451438 0.2396468674 >
-0.5078306083 -0.0540424243 0.2435050534 -0.4627520633 >
-0.0498676037
CT 15 3.2487172692 -0.7624480057 -1.0680289990
2.0016822353 1.4879144980 1.9577082833 -0.1840875267 >
-0.6483521787 0.1831907847 -0.1756827248 -0.5439730543 >
0.1658896288
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 1.153904I A.U.
0.7879757373 1.1310841943 0.8753592504 -0.0633128840 >
-0.0369534909 0.2117552718 -0.0604142635 -0.0341663835 >
0.2001068130
CT 2 1.7666072133 3.1535497057 0.4191472255
0.8842491034 1.0593386832 0.8515029717 0.1768956057 >
0.1053907481 0.1690845635 0.1747829859 0.0985547713 >
0.1599670089
CT 3 -1.9463513598 0.3880524997 0.0151822029
0.7168256647 1.2455560716 0.6756532679 0.1139707743 >
0.0477112654 0.2400201097 0.1134726143 0.0451176148 >
0.2265073131
CT 4 -1.7000612953 1.6964060156 1.9294639229
0.7923609430 0.7927446172 1.2089435289 -0.0073060973 >
-0.0739964691 0.0513663319 -0.0095732758 -0.0557732851 >
0.0309742618
CT 5 3.2096776500 -0.4865372514 1.1931981207
0.9666088466 0.7868372961 1.0375543328 -0.0099083292 >
0.2387043486 -0.0195182587 -0.0085917818 0.2211815905 >
-0.0143205421
CT 6 1.1359748707 2.4957000499 -1.6812334147
0.7928344996 0.8345256097 1.1630728426 0.0121707391 >
-0.0394857834 -0.1578098236 0.0073127441 -0.0246960848 >
-0.1376757812
CT 7 1.7962938131 0.8455500012 -0.1374119968
0.8386300508 1.2209569607 0.6031656889 -0.2675854260 >
0.0335757748 -0.0818235346 -0.2640466854 0.0293391530 >
-0.0803048292
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
0.8013250711 0.7880295733 1.2039807466 0.0039147695 >
0.0995010974 0.0153436186 0.0072074657 0.0752473444 >
0.0031693410
CT 9 0.1104624971 -2.8390544049 1.6010418449
0.7920038045 0.8526758299 1.1453782877 0.0075954200 >
-0.0203245206 -0.1801095947 0.0118436775 -0.0264702056 >
-0.1569340574
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
1.1327873477 0.8727134202 0.6382880659 -0.2766693897 >
0.1647894787 -0.0917729435 -0.2812294141 0.1570347594 >
-0.0866779194
CT 11 -3.3375444806 -1.5237734740 0.0413319290
1.1424990647 0.8565136871 0.7983064821 0.1793315714 >
-0.1275673915 -0.0623665658 0.1791421500 -0.1179930225 >
-0.0568893474
CT 12 1.3417684733 -1.4644074690 0.1348552973
1.0788657776 0.9901414929 0.5985448865 0.3284297957 >
-0.0400938013 -0.0434553375 0.3259336679 -0.0361734632 >
-0.0448384991
CT 13 -2.5033221803 2.6861173907 0.0128665617
0.9796609399 1.0251968333 0.7927745519 -0.2319193064 >
0.0888529175 -0.0989014312 -0.2316580321 0.0817986919 >
-0.0903085297
CT 14 -0.2517342918 1.9669199371 0.1132318215
1.2804753684 0.7116329576 0.6490342562 0.0993810644 >
-0.2059184310 -0.0246757187 0.1033947230 -0.1953093705 >
-0.0232276328
CT 15 3.2487172692 -0.7624480057 -1.0680289990
0.9834020368 0.8056011660 1.0026800068 -0.0632094604 >
-0.2342069345 0.0701886181 -0.0657977102 -0.2177132077 >
0.0677770878
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 2.307592I A.U.
0.2788786144 0.3534795650 0.3054241103 -0.0147113332 >
-0.0092992514 0.0474052954 -0.0131602873 -0.0089989576 >
0.0501873797
CT 2 1.7666072133 3.1535497057 0.4191472255
0.3002137265 0.3378499624 0.2996374209 0.0394268456 >
0.0246151172 0.0378037960 0.0381801688 0.0253512480 >
0.0404769175
CT 3 -1.9463513598 0.3880524997 0.0151822029
0.2576355639 0.3940847263 0.2559895063 0.0294239328 >
0.0119716446 0.0595432728 0.0292407276 0.0118816585 >
0.0590800941
CT 4 -1.7000612953 1.6964060156 1.9294639229
0.2790614475 0.2792347869 0.3812664231 -0.0008385482 >
-0.0114151189 0.0056536697 -0.0011978485 -0.0112801106 >
0.0050699434
CT 5 3.2096776500 -0.4865372514 1.1931981207
0.3156741015 0.2786872815 0.3441504929 -0.0020008726 >
0.0510976066 -0.0028572488 -0.0006257372 0.0529974700 >
-0.0028526640
CT 6 1.1359748707 2.4957000499 -1.6812334147
0.2796230323 0.2870879695 0.3723992428 0.0011944853 >
-0.0054055067 -0.0304557425 0.0006374877 -0.0045028606 >
-0.0310617223
CT 7 1.7962938131 0.8455500012 -0.1374119968
0.2881637288 0.3853862747 0.2376028938 -0.0679883006 >
0.0095254686 -0.0194726270 -0.0669017285 0.0085521817 >
-0.0202046445
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
0.2803034729 0.2788218972 0.3803752610 0.0003429928 >
0.0155313643 0.0000070078 0.0008619488 0.0152785838 >
-0.0006281449
CT 9 0.1104624971 -2.8390544049 1.6010418449
0.2800474107 0.2902850868 0.3686583436 0.0023322897 >
-0.0058781014 -0.0351045142 0.0026412888 -0.0069287057 >
-0.0356332603
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
0.3645676450 0.2975566444 0.2464201247 -0.0708278821 >
0.0402159479 -0.0237631093 -0.0723671470 0.0403634396 >
-0.0233936158
CT 11 -3.3375444806 -1.5237734740 0.0413319290
0.3570846523 0.2940045345 0.2864922815 0.0398370022 >
-0.0295682081 -0.0148511105 0.0400807570 -0.0317465568 >
-0.0154109043
CT 12 1.3417684733 -1.4644074690 0.1348552973
0.3488348840 0.3264923923 0.2364820403 0.0832299411 >
-0.0107763990 -0.0095837190 0.0824765610 -0.0100257302 >
-0.0107042560
CT 13 -2.5033221803 2.6861173907 0.0128665617
0.3209988845 0.3314825370 0.2850732914 -0.0514403876 >
0.0206579178 -0.0233365632 -0.0515658797 0.0222917110 >
-0.0246920334
CT 14 -0.2517342918 1.9669199371 0.1132318215
0.4027274569 0.2562814253 0.2491639350 0.0252957140 >
-0.0509175866 -0.0071501398 0.0266845972 -0.0507635073 >
-0.0069014295
CT 15 3.2487172692 -0.7624480057 -1.0680289990
0.3195063434 0.2829331135 0.3359315142 -0.0130577003 >
-0.0503471282 0.0164114738 -0.0147667269 -0.0524621084 >
0.0169192885
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W= 5.957643I A.U.
0.0500415215 0.0588680584 0.0541034477 -0.0018406303 >
-0.0012314038 0.0057487580 -0.0015577407 -0.0012315175 >
0.0065998250
CT 2 1.7666072133 3.1535497057 0.4191472255
0.0526081092 0.0570192688 0.0533584196 0.0047729357 >
0.0030897404 0.0045814658 0.0045411261 0.0034036033 >
0.0053578512
CT 3 -1.9463513598 0.3880524997 0.0151822029
0.0475818215 0.0663856220 0.0486399100 0.0040538497 >
0.0016194537 0.0079618896 0.0040232346 0.0016509758 >
0.0081252568
CT 4 -1.7000612953 1.6964060156 1.9294639229
0.0499560767 0.0499633059 0.0633322260 0.0000517181 >
-0.0008682961 0.0001043846 0.0000123336 -0.0011427910 >
0.0003164146
CT 5 3.2096776500 -0.4865372514 1.1931981207
0.0541177022 0.0500249033 0.0590191425 -0.0002115081 >
0.0059539125 -0.0002057416 0.0000531316 0.0066900358 >
-0.0002979941
CT 6 1.1359748707 2.4957000499 -1.6812334147
0.0500871975 0.0507464337 0.0624141109 -0.0000498645 >
-0.0003234584 -0.0031893025 -0.0000924287 -0.0003800241 >
-0.0036644454
CT 7 1.7962938131 0.8455500012 -0.1374119968
0.0516804491 0.0649783687 0.0461823563 -0.0092876949 >
0.0014543775 -0.0024809614 -0.0091120492 0.0013325161 >
-0.0026690829
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
0.0499798381 0.0500288419 0.0632463914 -0.0000787086 >
0.0012069246 -0.0003368109 -0.0000219967 0.0015572710 >
-0.0002724006
CT 9 0.1104624971 -2.8390544049 1.6010418449
0.0502244660 0.0510201025 0.0619916870 0.0003456065 >
-0.0008275535 -0.0037226850 0.0003467682 -0.0009494776 >
-0.0042368118
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
0.0622882686 0.0530440890 0.0473559515 -0.0096935854 >
0.0052731665 -0.0033204680 -0.0099476003 0.0054579969 >
-0.0033449873
CT 11 -3.3375444806 -1.5237734740 0.0413319290
0.0594328368 0.0518545783 0.0516426486 0.0048201388 >
-0.0037009360 -0.0018955604 0.0048768677 -0.0043919530 >
-0.0021448280
CT 12 1.3417684733 -1.4644074690 0.1348552973
0.0599338896 0.0569074619 0.0460396644 0.0113591131 >
-0.0015659704 -0.0011046462 0.0112378920 -0.0014851819 >
-0.0013172182
CT 13 -2.5033221803 2.6861173907 0.0128665617
0.0550811753 0.0563901659 0.0514526362 -0.0062131556 >
0.0025940958 -0.0029616651 -0.0062454296 0.0031098075 >
-0.0034546840
CT 14 -0.2517342918 1.9669199371 0.1132318215
0.0675405787 0.0473941062 0.0477247341 0.0034367411 >
-0.0067773724 -0.0011033836 0.0036669012 -0.0069539463 >
-0.0010812198
CT 15 3.2487172692 -0.7624480057 -1.0680289990
0.0546107270 0.0505402613 0.0579874920 -0.0014586712 >
-0.0058938961 0.0020510277 -0.0017747174 -0.0066645216 >
0.0022107549
CT 1 0.4411983398 -3.5541173281 -0.5453637033 -- FOR W=32.239080I A.U.
0.0018122492 0.0020886989 0.0019475176 -0.0000586995 >
-0.0000391728 0.0001809104 -0.0000486108 -0.0000395879 >
0.0002133015
CT 2 1.7666072133 3.1535497057 0.4191472255
0.0018928681 0.0020308188 0.0019237762 0.0001506944 >
0.0000976499 0.0001442061 0.0001423969 0.0001100045 >
0.0001735882
CT 3 -1.9463513598 0.3880524997 0.0151822029
0.0017574044 0.0023794693 0.0018063629 0.0001340714 >
0.0000532659 0.0002607636 0.0001329840 0.0000546530 >
0.0002679065
CT 4 -1.7000612953 1.6964060156 1.9294639229
0.0018064557 0.0018056977 0.0022377095 0.0000042822 >
-0.0000230234 -0.0000015905 0.0000030553 -0.0000341314 >
0.0000073764
CT 5 3.2096776500 -0.4865372514 1.1931981207
0.0019361037 0.0018111818 0.0021034940 -0.0000064288 >
0.0001858042 -0.0000056200 0.0000030515 0.0002141851 >
-0.0000093798
CT 6 1.1359748707 2.4957000499 -1.6812334147
0.0018114583 0.0018300391 0.0022098233 -0.0000041863 >
-0.0000078444 -0.0000963033 -0.0000053331 -0.0000109173 >
-0.0001150035
CT 7 1.7962938131 0.8455500012 -0.1374119968
0.0018913771 0.0023309032 0.0017267822 -0.0003065861 >
0.0000502828 -0.0000793322 -0.0003003516 0.0000464746 >
-0.0000862388
CT 8 -2.2740669246 -0.8986978935 -1.9000289691
0.0018053135 0.0018098478 0.0022351437 -0.0000048594 >
0.0000323661 -0.0000133765 -0.0000030925 0.0000466297 >
-0.0000102734
CT 9 0.1104624971 -2.8390544049 1.6010418449
0.0018171971 0.0018372628 0.0021967811 0.0000119277 >
-0.0000266408 -0.0001130562 0.0000116351 -0.0000306632 >
-0.0001334499
CT 10 -0.9847022258 -1.7210583106 -0.1270713405
0.0022437797 0.0019375013 0.0017645364 -0.0003196607 >
0.0001712361 -0.0001105357 -0.0003286802 0.0001786380 >
-0.0001120370
CT 11 -3.3375444806 -1.5237734740 0.0413319290
0.0021077385 0.0018687403 0.0018688670 0.0001520175 >
-0.0001171788 -0.0000600835 0.0001541094 -0.0001435811 >
-0.0000699226
CT 12 1.3417684733 -1.4644074690 0.1348552973
0.0021635363 0.0020641252 0.0017223578 0.0003751055 >
-0.0000531461 -0.0000334368 0.0003708047 -0.0000507566 >
-0.0000408659
CT 13 -2.5033221803 2.6861173907 0.0128665617
0.0019705701 0.0020119284 0.0018627395 -0.0001959524 >
0.0000822620 -0.0000939552 -0.0001971542 0.0001019448 >
-0.0001130594
CT 14 -0.2517342918 1.9669199371 0.1132318215
0.0024172357 0.0017512500 0.0017765485 0.0001128285 >
-0.0002214759 -0.0000379762 0.0001210013 -0.0002288883 >
-0.0000374139
CT 15 3.2487172692 -0.7624480057 -1.0680289990
0.0019523412 0.0018276950 0.0020708113 -0.0000445547 >
-0.0001842110 0.0000648878 -0.0000558152 -0.0002138280 >
0.0000709974
STOP
PROJECTION BASIS SET
A01C1 2.4085233906 -0.4691737988 0.0291161381 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
9 1.4593300000 -0.00286791 1.86528133
L 1
10 0.4834560000 0.41321665 0.57462733
L 1
11 0.1455850000 0.16797613 0.12818461
L 1
12 0.0438000000 0.06823633 0.02856161
D 1
13 2.5040000000 8.20388425
D 1
14 0.6260000000 0.72512777
D 1
15 0.1565000000 0.06409285
F 1
16 0.8000000000 0.89105994
A02H2 3.5834645403 -0.4956954992 1.7175395468 1.0
S 3
17 33.8650000000 0.25506932
18 5.0947900000 0.46010866
19 1.1587900000 0.67832145
S 1
20 0.3258400000 0.30737135
S 1
21 0.1027410000 0.12933556
S 1
22 0.0360000000 0.05890294
P 1
23 1.5000000000 2.36621477
P 1
24 0.3750000000 0.41829163
A03H3 3.6391333952 -0.8979859415 -1.5620970944 1.0
S 3
25 33.8650000000 0.25506932
26 5.0947900000 0.46010866
27 1.1587900000 0.67832145
S 1
28 0.3258400000 0.30737135
S 1
29 0.1027410000 0.12933556
S 1
30 0.0360000000 0.05890294
P 1
31 1.5000000000 2.36621477
P 1
32 0.3750000000 0.41829163
A04C4 0.2310007019 -2.4098575900 0.2558199116 4.0
S 6
33 4563.2400000000 0.77820176
34 682.0240000000 1.44869481
35 154.9730000000 2.38308933
36 44.4553000000 3.20008901
37 13.0290000000 3.01300444
38 1.8277300000 0.24759863
L 3
39 20.9642000000 0.80062852 2.57359222
40 4.8033100000 2.12741989 2.40824822
41 1.4593300000 -0.00286791 1.86528133
L 1
42 0.4834560000 0.41321665 0.57462733
L 1
43 0.1455850000 0.16797613 0.12818461
L 1
44 0.0438000000 0.06823633 0.02856161
D 1
45 2.5040000000 8.20388425
D 1
46 0.6260000000 0.72512777
D 1
47 0.1565000000 0.06409285
F 1
48 0.8000000000 0.89105994
A05H5 0.0574000424 -3.0468958195 2.2074808716 1.0
S 3
49 33.8650000000 0.25506932
50 5.0947900000 0.46010866
51 1.1587900000 0.67832145
S 1
52 0.3258400000 0.30737135
S 1
53 0.1027410000 0.12933556
S 1
54 0.0360000000 0.05890294
P 1
55 1.5000000000 2.36621477
P 1
56 0.3750000000 0.41829163
A06H6 0.5364489500 -4.0797892444 -0.9050855207 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
A07C7 -2.1572877911 -0.9498953463 -0.4847311222 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
A08H8 -3.8775186558 -1.7847714893 0.2755048909 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
A09H9 -2.3412278866 -0.8821499881 -2.5395210232 1.0
S 3
89 33.8650000000 0.25506932
90 5.0947900000 0.46010866
91 1.1587900000 0.67832145
S 1
92 0.3258400000 0.30737135
S 1
93 0.1027410000 0.12933556
S 1
94 0.0360000000 0.05890294
P 1
95 1.5000000000 2.36621477
P 1
96 0.3750000000 0.41829163
A10C10 -1.6169742042 1.7032361154 0.5105237138 4.0
S 6
97 4563.2400000000 0.77820176
98 682.0240000000 1.44869481
99 154.9730000000 2.38308933
100 44.4553000000 3.20008901
101 13.0290000000 3.01300444
102 1.8277300000 0.24759863
L 3
103 20.9642000000 0.80062852 2.57359222
104 4.8033100000 2.12741989 2.40824822
105 1.4593300000 -0.00286791 1.86528133
L 1
106 0.4834560000 0.41321665 0.57462733
L 1
107 0.1455850000 0.16797613 0.12818461
L 1
108 0.0438000000 0.06823633 0.02856161
D 1
109 2.5040000000 8.20388425
D 1
110 0.6260000000 0.72512777
D 1
111 0.1565000000 0.06409285
F 1
112 0.8000000000 0.89105994
A11H11 -1.7486799198 1.7051667564 2.5708947727 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
119 1.5000000000 2.36621477
P 1
120 0.3750000000 0.41829163
A12H12 -2.9090181590 3.1344964473 -0.2083961415 1.0
S 3
121 33.8650000000 0.25506932
122 5.0947900000 0.46010866
123 1.1587900000 0.67832145
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
A13C13 1.1221457126 2.1299277740 -0.3110353784 4.0
S 6
129 4563.2400000000 0.77820176
130 682.0240000000 1.44869481
131 154.9730000000 2.38308933
132 44.4553000000 3.20008901
133 13.0290000000 3.01300444
134 1.8277300000 0.24759863
L 3
135 20.9642000000 0.80062852 2.57359222
136 4.8033100000 2.12741989 2.40824822
137 1.4593300000 -0.00286791 1.86528133
L 1
138 0.4834560000 0.41321665 0.57462733
L 1
139 0.1455850000 0.16797613 0.12818461
L 1
140 0.0438000000 0.06823633 0.02856161
D 1
141 2.5040000000 8.20388425
D 1
142 0.6260000000 0.72512777
D 1
143 0.1565000000 0.06409285
F 1
144 0.8000000000 0.89105994
A14H14 2.0607538644 3.6236576324 0.7464705511 1.0
S 3
145 33.8650000000 0.25506932
146 5.0947900000 0.46010866
147 1.1587900000 0.67832145
S 1
148 0.3258400000 0.30737135
S 1
149 0.1027410000 0.12933556
S 1
150 0.0360000000 0.05890294
P 1
151 1.5000000000 2.36621477
P 1
152 0.3750000000 0.41829163
A15H15 1.1491768847 2.6735160744 -2.2991385869 1.0
S 3
153 33.8650000000 0.25506932
154 5.0947900000 0.46010866
155 1.1587900000 0.67832145
S 1
156 0.3258400000 0.30737135
S 1
157 0.1027410000 0.12933556
S 1
158 0.0360000000 0.05890294
P 1
159 1.5000000000 2.36621477
P 1
160 0.3750000000 0.41829163
STOP
MULTIPLICITY 1
STOP
PROJECTION WAVEFUNCTION 15 325
1 1-4.38915613E-03-8.28817818E-03-9.81170063E-03-7.61056153E-03 4.01728517E-06
1 2 2.25554006E-02-1.28099293E-02-1.06621840E-02 2.21254847E-04-2.89160081E-02
1 3-1.79346816E-04-3.48163545E-02-1.62086705E-02-8.61090442E-02 1.59611232E-02
1 4-1.16531050E-02-3.02281793E-02 1.62499993E-04-1.25485338E-03-1.75912857E-04
1 5-1.38646219E-04-6.56045505E-04-3.52789585E-04 3.61934355E-03-9.63412335E-03
1 6 1.46401926E-03-1.47468537E-03-6.59971185E-03-3.75071602E-03-6.81584272E-05
1 7-1.17796005E-02-6.28132498E-03 3.78995920E-03-4.99581597E-03-4.86622225E-04
1 8-2.15443666E-03 9.35454227E-04-6.74501936E-04-8.37807108E-04 5.58283138E-04
1 9 1.70363009E-03 9.31779280E-04-9.55145773E-05-8.58563372E-04 1.24876769E-03
1 10-3.19457811E-03-5.50132080E-03-3.38880252E-04 1.28679546E-02-3.79603123E-04
1 11-3.99946640E-04-2.22747511E-05-9.61080134E-04-2.49543604E-04 3.89636918E-05
1 12 8.06811718E-03 1.44722579E-02 1.43095352E-02-1.30265277E-02 2.24088167E-04
1 13 1.84942176E-04-1.10260138E-04-1.50947959E-04 2.01321119E-04-7.31441480E-04
1 14 5.05432526E-02 9.07085111E-02-2.58184403E-02 1.34785400E-01 9.76746179E-02
1 15-2.17394143E-01-3.84168689E-02 1.96145866E-01 1.44682654E-01-1.90326404E-01
1 16-2.63650278E-02 1.79849377E-01 1.11140553E-01 6.00090262E-02-2.05632157E-03
1 17 4.17887714E-02 3.15129173E-02 7.64668475E-03 2.60033994E-03 5.36039295E-03
1 18 1.11009894E-03 7.36507352E-04-4.29020044E-03 2.70945429E-02-2.15267958E-03
1 19 1.22828673E-02 6.33263559E-03 4.32503520E-03-2.25354586E-02 4.47902320E-02
1 20 3.46139682E-02 2.64038433E-02 5.97922535E-03 6.40092395E-03-1.86642597E-02
1 21 6.11104324E-05 6.49748146E-03 1.97342035E-03-6.44633127E-05 3.53819187E-04
1 22-1.55850836E-03 5.43662398E-03-7.92890332E-04 5.11006708E-03-1.36982941E-03
1 23 8.92332262E-03 3.43992854E-02 4.74847879E-03-2.47178569E-03-6.56645989E-04
1 24 3.66522129E-03 2.11932753E-03-9.04402801E-04 5.44283378E-03 1.38501323E-03
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14 11-5.00278224E-04 1.13934919E-04-9.75568324E-04-1.02180675E-03-1.10299278E-03
14 12 6.28349594E-03 1.73570179E-02 1.10821965E-02 1.46487000E-02 3.76855516E-04
14 13-7.34487876E-04-6.95178071E-05 4.56572282E-04-1.40983238E-03 2.54835852E-03
14 14 4.48573894E-03 8.03000915E-03-1.12633669E-03-8.40915937E-03 2.66503931E-03
14 15-2.49047494E-02-1.72524169E-03-1.33142377E-02 3.89924007E-03-1.37670606E-02
14 16 7.18428164E-02 1.46487066E-02 9.11928492E-03-1.91499873E-01 6.10441051E-03
14 17-4.08283494E-02-3.23797371E-03 4.35505815E-06 3.40485957E-04 2.32689859E-04
14 18-5.85960674E-05-5.20738890E-05 6.02035131E-05 1.37674844E-03 9.02748582E-04
14 19-9.10891280E-04 4.93746895E-04 3.91261357E-04-1.85973932E-05-1.10746229E-02
14 20 1.02853957E-02-9.86657603E-03 1.67910139E-02-2.94409013E-03 2.33031990E-03
14 21-6.08595979E-05 1.66032596E-04-4.65396247E-05 1.74951456E-04-3.00613720E-04
14 22 1.15737825E-04 5.15556116E-05 3.01622525E-06-4.46173123E-04 1.97637090E-04
14 23-6.77166863E-05 3.44186541E-03 1.69523725E-02 7.26036938E-03 2.74429553E-05
14 24-1.75860765E-04-3.06673823E-05-9.47425018E-04-6.19651357E-04 4.50094962E-04
14 25 3.80196321E-04 1.11789587E-04 3.62456342E-03-5.06672163E-03-2.22104353E-05
14 26-2.53223903E-04 1.97151356E-04-3.99484116E-04-4.83043650E-04-8.10324409E-04
14 27 2.78425005E-03 6.43392041E-03 8.46030209E-04-1.01496179E-02-4.38317859E-03
14 28-1.55361977E-02-9.48646954E-04-1.58335998E-02-6.57142528E-03-8.35525049E-03
14 29-7.99724032E-03-8.39300860E-02 6.62463681E-03 2.09260072E-01 3.04553076E-02
14 30 1.87218894E-02 1.36891142E-02 1.13140370E-03 1.06270566E-03 4.74055279E-04
14 31 1.20453718E-03 9.14643353E-05-2.94165658E-04 4.42620695E-03 5.92321680E-03
14 32-1.57094001E-03 1.20243665E-02 8.77587882E-04-1.99310501E-03 8.59713568E-03
14 33 4.08932316E-03 1.55865784E-02-2.09852868E-02 3.36986402E-03-8.78842635E-03
14 34-3.63127557E-04 8.28989139E-04-2.25530489E-04 1.93073269E-03 5.74858478E-05
14 35 3.15918201E-03-6.51803368E-04-1.12215077E-04-1.10956612E-03 1.27287995E-03
14 36 7.98819740E-03 2.13826633E-02 1.28354941E-02 8.81620189E-03-1.08173184E-04
14 37-8.39473495E-04-1.36692486E-04 5.10299329E-05-1.48685291E-03-2.66106288E-03
14 38-3.17801891E-03-3.74753859E-03-1.96762741E-02-6.13231582E-03 3.72390877E-05
14 39-2.01317283E-04 8.09120886E-06 1.81014918E-04-2.08765984E-04 9.53979780E-04
14 40-5.09552769E-02-8.84118783E-02 1.53757954E-01 3.41197685E-02-4.53541707E-02
14 41 2.21302300E-01 2.16939010E-01 4.86444413E-02-6.39638050E-02 1.13115365E-01
14 42 1.63054647E-01 1.38728360E-02-7.56728517E-02-9.50189246E-02 2.28528450E-02
14 43 2.62769491E-02 2.11697241E-03 1.76426404E-05-5.62028213E-03-5.27494969E-03
14 44 1.26810395E-03-1.98618580E-03-3.11083320E-04 1.49102626E-02-1.92348612E-02
14 45-1.62105491E-02 6.51908731E-03-1.09863267E-02-2.83224799E-03 3.16490564E-03
14 46-2.09164249E-02-2.82022742E-02 3.71408351E-04-1.98655422E-02 6.69143910E-03
14 47 1.32857220E-02 2.93374808E-03 1.91867486E-05 1.90947183E-03-4.20539250E-03
14 48 1.69165967E-03-1.43109181E-03 3.57827169E-03 1.45530203E-03 1.00363137E-04
14 49-9.21562378E-03-2.05580094E-02 7.62822769E-03 6.45019355E-04 3.82677479E-03
14 50 9.45828111E-04-4.27526818E-04 6.24344422E-03 8.88065694E-04 7.87927197E-05
14 51-8.98939216E-03-2.38050717E-02 1.80355832E-03 6.12000688E-04 3.16572313E-03
14 52 1.60079018E-03-1.29285751E-03 5.17909296E-03 2.05539529E-03-3.72194985E-03
14 53-5.11107240E-02-8.84694510E-02-1.55127948E-01-1.64612510E-02 4.99107143E-02
14 54 2.21254579E-01-2.18639094E-01-2.23924638E-02 7.03613976E-02 1.57408874E-01
14 55-2.20738645E-01-4.72295015E-02 8.70518897E-02-1.53040868E-01-1.50014437E-02
14 56 3.11066056E-02 1.15459597E-03 2.14101477E-04-5.62606589E-03-5.06813636E-03
14 57 8.46757126E-04-2.07652714E-03-3.00738801E-04 1.50068796E-02-1.90562718E-02
14 58-1.52891131E-02 5.48434413E-03-1.16151910E-02-9.91105031E-04 1.72059084E-02
14 59-1.45899956E-02-2.93073068E-02 1.94491970E-02-2.40349040E-02-8.24732774E-03
14 60-1.30631897E-02 5.41741740E-04 9.82903141E-04-2.32727035E-03 3.95485231E-03
14 61-2.60246169E-03 1.74868852E-03-3.60928190E-03 1.07907452E-03 1.16678299E-03
14 62-9.07924057E-03-2.23143751E-02 4.97610373E-04-6.51614688E-03-3.47130599E-03
14 63 4.15229610E-04 1.59559544E-03-4.89819375E-03-9.59883916E-04 4.08621024E-03
14 64-9.13805128E-03-2.03789476E-02 8.79772481E-03-2.05630959E-04-4.00864263E-03
14 65-2.15363884E-04 6.51059123E-04-5.52644857E-03-4.68598702E-04 3.14015463E-04
15 1-5.02303396E-02-9.00054516E-02 9.82425521E-02-3.48635601E-02-1.32734837E-01
15 2 2.16084265E-01 1.42469085E-01-5.14070564E-02-1.96280734E-01 1.79461391E-01
15 3 1.44556783E-01-4.58548801E-02-1.57198669E-01 5.92525848E-02 7.28427296E-03
15 4-8.11333026E-04-3.18809070E-02-4.91311911E-03-7.37806479E-03-3.00163910E-03
15 5-1.15649829E-03-4.35957122E-03 1.48665995E-03-1.05710747E-02-2.61401862E-02
15 6 6.38076821E-04-6.47898518E-03-2.24532989E-02 8.27660129E-03-4.25957901E-02
15 7-4.70781202E-02-1.16256160E-02-3.33066338E-03-1.54487871E-02 9.84985669E-03
15 8 3.22420557E-03 5.81323162E-05-5.86194107E-03-1.36997901E-03-3.57827755E-03
15 9 1.60809143E-04-4.66562323E-04 6.10459904E-03-2.19698966E-03 1.66457817E-03
15 10-8.70318462E-03-3.65140417E-02-1.50838537E-02-4.85487189E-03 2.76118337E-03
15 11-8.83684102E-04-3.03700378E-03 6.02647280E-03-1.80853850E-03-3.18939097E-03
15 12 1.93747216E-01 2.64468351E-01 8.16390971E-02-4.81916247E-03-7.42507931E-03
15 13 2.51922877E-03 9.24248291E-03-5.90400967E-03 2.60501211E-03 8.55880567E-03
15 14 4.19841117E-03 7.85895081E-03-9.06347996E-03-7.95866714E-03 1.71398242E-03
15 15-2.11002796E-02-1.25430468E-02-1.04567208E-02 2.19494145E-03 3.41285095E-02
15 16-3.80851628E-02 1.18982371E-02 1.54657625E-02 1.80566143E-02-1.06913218E-02
15 17 8.16035186E-03 2.06701082E-02 8.30292138E-04-3.33318716E-04 5.49421639E-04
15 18-3.64317397E-05-6.86003125E-04-6.68191044E-04 6.37682252E-03-4.79323483E-03
15 19 2.22305579E-03-2.16797881E-04-6.88535743E-03-6.81958899E-03 1.33709259E-02
15 20 1.71753960E-03 7.70350445E-03-5.86490311E-03 1.79956592E-04-5.80029632E-03
15 21 8.00085950E-04-1.35510384E-03 8.31372725E-04 5.40135224E-04-1.79042970E-03
15 22-1.39494915E-03-8.25793012E-06-2.30683620E-04 2.34842139E-04-1.54078973E-03
15 23 6.40099965E-03 1.46091503E-02 1.07622619E-02-5.79997867E-03-6.10114560E-04
15 24-4.96884684E-04 1.74546619E-04-6.84257921E-04-1.93214933E-04-3.67158102E-04
15 25-8.18609742E-03-1.23682734E-02-1.19504566E-02 6.07332968E-03 1.75591630E-04
15 26 2.59320976E-04 1.51675250E-05 1.10330125E-04 5.10694639E-04 9.13323678E-04
15 27-1.16627629E-03-2.55063046E-03 2.05435648E-03 3.96810463E-04 2.30178985E-03
15 28 5.21841164E-03 4.30876421E-03 8.58327771E-04 3.35330877E-03 7.60788827E-02
15 29 8.54220137E-03 7.70929849E-02 1.69043782E-02-1.17918547E-01-1.20117871E-02
15 30-2.45631648E-02-1.16935500E-02-5.05258705E-04-1.68147698E-04-2.77308011E-04
15 31-8.51906511E-06 6.26696009E-06-3.94721331E-05-3.13918358E-03-6.77424107E-05
15 32-2.23253877E-04 4.79344537E-04-1.17453706E-04-6.32411089E-04-4.87142033E-03
15 33 1.47471322E-02-6.77573271E-03 1.13799049E-02 2.03890643E-04 9.53521975E-03
15 34-9.91119654E-04-1.40172125E-04 2.01359463E-04-1.19695660E-05-2.68369764E-04
15 35 1.01944149E-04 2.18758966E-04 7.76745791E-05-6.94608847E-05-6.17579692E-05
15 36-1.11335336E-03-3.79267271E-03 1.55694011E-03-5.58157827E-03 1.34840212E-04
15 37-4.14054969E-05 4.44431093E-05 4.13856256E-04-7.66073700E-04 1.11886936E-03
15 38-4.36636201E-05-2.19894441E-04 1.28193992E-02 3.86282204E-03 9.78619112E-05
15 39 9.62434050E-05 6.72534721E-06 1.10097100E-05-8.26743376E-04-6.95706992E-04
15 40-2.56995023E-03-4.77449256E-03 6.08954011E-03 8.09986235E-04-1.27795048E-03
15 41 1.58242621E-02 1.03602395E-02 8.75778965E-04-3.15334942E-03-6.33479110E-02
15 42 3.14424419E-02 5.80176881E-02 3.17421282E-02 8.83853343E-02-5.57942517E-03
15 43-2.69827323E-02-1.07301588E-02-2.96509938E-04-1.20585072E-04-2.23149041E-04
15 44 2.84034137E-04-6.73828074E-05 4.49071117E-05-2.36876625E-03 6.95238532E-04
15 45 5.57412137E-04 2.19560714E-03 7.69361477E-05 3.89058293E-04 5.18207886E-03
15 46-1.79852504E-02 2.04849515E-03-5.29493606E-03 1.52270450E-03-1.30684871E-02
15 47-8.37539972E-04-1.92925536E-04 1.32146708E-04 4.68993082E-04 2.26488223E-04
15 48-1.48381490E-05-1.80652099E-04 2.55902436E-04-1.81144665E-04 8.37704475E-05
15 49 8.49656010E-04-3.02396123E-03-1.26178393E-02-1.63772061E-04 6.99883913E-05
15 50 1.49622740E-04 1.22320974E-05 5.12594958E-05-4.27958639E-04-1.09617604E-03
15 51-2.38697323E-03-6.22276869E-03-1.25206230E-02-2.93757833E-03 2.19860186E-04
15 52 1.12852632E-04-1.08119085E-04 6.62928767E-04-2.93584931E-04 7.10545687E-05
15 53 4.03720976E-03 7.84244031E-03-5.25237839E-03 1.05131756E-02-8.54468820E-04
15 54-2.14259681E-02-8.54438276E-03 1.39983229E-02-1.40049959E-03 2.18302857E-03
15 55-1.01069214E-02 1.22003565E-02 6.68427987E-03-1.80564083E-02-9.56990476E-03
15 56 1.62018221E-02 1.84612662E-02 1.03326060E-03 4.11056433E-04 3.52336435E-05
15 57-4.21350684E-04-4.37540953E-04 8.93733194E-04 6.81487756E-03 1.42763813E-03
15 58-2.62768810E-03-3.70623563E-03-4.60029374E-03 8.43747815E-03 5.08386476E-03
15 59 8.21792243E-04-1.80632623E-03 1.36712047E-03 7.64954190E-04 7.24766503E-03
15 60-8.21023276E-04 1.07499719E-03 1.26857151E-03-1.24669386E-03-1.89563764E-04
15 61 1.12045452E-03-1.98513066E-03-7.49090974E-04 4.49593527E-04 1.28914576E-03
15 62 2.25732513E-03 4.72610271E-03 1.96255896E-03-5.80972979E-03-2.36445966E-04
15 63 3.91603534E-04-2.26723629E-05-3.40278614E-04 7.76681333E-04 6.12602113E-04
15 64-8.61163078E-03-1.80586206E-02-1.90871732E-02 5.89804315E-03 1.44954383E-04
15 65-3.26571594E-04 1.08008884E-04 4.59924022E-04 5.06023905E-04-4.23701129E-04
FOCK MATRIX ELEMENTS
-0.6426455521 0.0056695822 -0.6429834865 0.0310774787 >
-0.0317140414 -0.6769416070 0.0045407148 0.0260664570 >
-0.0996246481 -0.6421090271 0.0119615106 0.0319434519 >
0.0057619397 -0.0040579610 -0.6410181018 -0.0030898532 >
0.1011899974 -0.0110487301 0.0344969513 0.0275872576 >
-0.6410675836 0.0216869829 0.0944276555 -0.0302117681 >
-0.0091696153 -0.0972630197 -0.0978129888 -0.6701699319 >
0.0277694514 0.0047121763 0.0999393388 -0.0353902376 >
-0.0014989442 0.0109984646 0.0007681223 -0.6419351679 >
0.1014438354 -0.0037544374 0.0087099411 0.0097683905 >
0.0369605410 0.0002025501 -0.0093996208 0.0338034709 >
-0.6409111976 0.0950583712 0.0083124951 0.1108044375 >
0.0144384566 -0.0226413861 -0.0025772294 0.0351576835 >
-0.0982964591 -0.1002243111 -0.6748437559 0.0023234061 >
-0.0107613552 0.0937312858 0.0229060806 0.0072610242 >
-0.0030866077 -0.0098944360 -0.1003589095 -0.0277469576 >
-0.0941369357 -0.6439497628 0.0945606158 0.0242149434 >
0.0310437669 0.0013897149 0.0970693146 -0.0057184983 >
0.1060481725 -0.0067881416 -0.0977017572 -0.1073177418 >
0.0303932098 -0.6690633721 0.0104766218 -0.0040944150 >
0.0937150335 0.1002270229 0.0024302162 0.0264504216 >
-0.0311789747 -0.0230309737 0.0021275855 0.0324535563 >
-0.0073142852 0.0101565435 -0.6440949738 -0.0078602369 >
-0.0946151343 0.1112714727 0.0984985769 -0.0046382857 >
0.1005000477 0.1079885635 -0.0147179991 0.0033979126 >
-0.0284212159 0.0324991051 -0.0345276703 -0.0940359946 >
-0.6756432026 0.0325284037 0.0084978841 -0.0061957323 >
-0.0022274047 0.1021650393 0.0355218392 0.0967863150 >
-0.0031506306 0.0249757388 0.0084671919 -0.0034626707 >
-0.0964049506 -0.0081279127 0.0251909107 -0.6412627144 >
LMO CENTROIDS
CT1 0.4411983398 -3.5541173281 -0.5453637033
CT2 1.7666072133 3.1535497057 0.4191472255
CT3 -1.9463513598 0.3880524997 0.0151822029
CT4 -1.7000612953 1.6964060156 1.9294639229
CT5 3.2096776500 -0.4865372514 1.1931981207
CT6 1.1359748707 2.4957000499 -1.6812334147
CT7 1.7962938131 0.8455500012 -0.1374119968
CT8 -2.2740669246 -0.8986978935 -1.9000289691
CT9 0.1104624971 -2.8390544049 1.6010418449
CT10 -0.9847022258 -1.7210583106 -0.1270713405
CT11 -3.3375444806 -1.5237734740 0.0413319290
CT12 1.3417684733 -1.4644074690 0.1348552973
CT13 -2.5033221803 2.6861173907 0.0128665617
CT14 -0.2517342918 1.9669199371 0.1132318215
CT15 3.2487172692 -0.7624480057 -1.0680289990
STOP
SCREEN2 (FROM VDWSCL= 0.700)
A01C1 1.000000000 1.969440867
A02H2 1.000000000 1.631355304
A03H3 1.000000000 1.681924525
A04C4 1.000000000 1.969440867
A05H5 1.000000000 1.631355304
A06H6 1.000000000 1.681924525
A07C7 1.000000000 1.950729059
A08H8 1.000000000 1.635370266
A09H9 1.000000000 1.647984977
A10C10 1.000000000 1.985611016
A11H11 1.000000000 1.684278323
A12H12 1.000000000 1.629094601
A13C13 1.000000000 1.950729059
A14H14 1.000000000 1.635370266
A15H15 1.000000000 1.647984977
BO21 1.000000000 1.443299820
BO31 1.000000000 1.287775716
BO41 1.000000000 0.590601032
BO54 1.000000000 1.443299820
BO64 1.000000000 1.287775716
BO74 1.000000000 1.009355884
BO87 1.000000000 1.454581637
BO97 1.000000000 1.368993275
BO107 1.000000000 1.011023879
BO1110 1.000000000 1.145126804
BO1210 1.000000000 1.546603646
BO131 1.000000000 1.009355884
BO1310 1.000000000 1.011023879
BO1413 1.000000000 1.454581637
BO1513 1.000000000 1.368993275
STOP
$END
|