/usr/share/psi/efpfrag/2aminopyridine.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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2-aminopyridine, S22 Complex Elec.: 6-31G* Rest: 6-311++G(3df,2p)
COORDINATES (BOHR)
A01N -0.5625950762 -2.2117016817 0.0032386370 14.0030700 7.0
A02C -1.7244330393 0.0491566681 0.0089259929 12.0000000 6.0
A03C -0.3320522626 2.3177407006 0.0069924298 12.0000000 6.0
A04C 2.2756380757 2.2227139216 0.0010341649 12.0000000 6.0
A05C 3.4821660785 -0.1244037156 -0.0024180839 12.0000000 6.0
A06C 1.9750556783 -2.2614572401 0.0010070990 12.0000000 6.0
A07H -1.3173889549 4.1080883598 0.0071393141 1.0078250 1.0
A08H 3.3603538856 3.9547491827 0.0026966018 1.0078250 1.0
A09H 5.5149338303 -0.2889935211 -0.0017171176 1.0078250 1.0
A10H 2.8231573055 -4.1255998536 0.0086748915 1.0078250 1.0
A11N -4.3030404998 0.0521514672 -0.0824871866 14.0030700 7.0
A12H -5.1542321139 1.6736151332 0.4185692697 1.0078250 1.0
A13H -5.2096173979 -1.5559983563 0.4806926598 1.0078250 1.0
BO21 -1.1435140577 -1.0812725068 0.0060823149 0.0000000 0.0
BO32 -1.0282426509 1.1834486844 0.0079592114 0.0000000 0.0
BO43 0.9717929066 2.2702273111 0.0040132974 0.0000000 0.0
BO54 2.8789020771 1.0491551030 -0.0006919595 0.0000000 0.0
BO61 0.7062303011 -2.2365794609 0.0021228680 0.0000000 0.0
BO65 2.7286108784 -1.1929304778 -0.0007054925 0.0000000 0.0
BO73 -0.8247206088 3.2129145302 0.0070658720 0.0000000 0.0
BO84 2.8179959807 3.0887315521 0.0018653834 0.0000000 0.0
BO95 4.4985499544 -0.2066986183 -0.0020676007 0.0000000 0.0
BO106 2.3991064919 -3.1935285469 0.0048409953 0.0000000 0.0
BO112 -3.0137367695 0.0506540677 -0.0367805968 0.0000000 0.0
BO1211 -4.7286363069 0.8628833002 0.1680410415 0.0000000 0.0
BO1311 -4.7563289489 -0.7519234446 0.1991027366 0.0000000 0.0
STOP
MONOPOLES
A01N -7.1172301368 7.00000
A02C -4.5557002475 6.00000
A03C -5.6765568311 6.00000
A04C -5.4384364918 6.00000
A05C -5.6451285237 6.00000
A06C -5.0632529120 6.00000
A07H -0.7296644377 1.00000
A08H -0.7165510880 1.00000
A09H -0.7214281706 1.00000
A10H -0.7406256482 1.00000
A11N -7.2544711574 7.00000
A12H -0.6469120366 1.00000
A13H -0.6260760020 1.00000
BO21 -0.6746017040 0.00000
BO32 -0.3663872080 0.00000
BO43 -0.4869761256 0.00000
BO54 -0.3324837036 0.00000
BO61 -0.5971883274 0.00000
BO65 -0.3797628856 0.00000
BO73 -0.3598285769 0.00000
BO84 -0.3716099613 0.00000
BO95 -0.3656380840 0.00000
BO106 -0.3848764349 0.00000
BO112 -0.2484375751 0.00000
BO1211 -0.2662326724 0.00000
BO1311 -0.2339430577 0.00000
STOP
DIPOLES
A01N 0.3323852444 0.4176223242 0.0128249543
A02C -0.2990427714 -0.4288599079 -0.0460662644
A03C 0.1148366374 -0.0177410646 -0.0072330507
A04C -0.0519602499 -0.0586667014 -0.0002220021
A05C -0.0690319087 0.0691934526 -0.0073446012
A06C -0.4672217472 0.0840449753 -0.0019361533
A07H -0.0121621480 0.0384286851 -0.0007320377
A08H 0.0225709780 0.0347824497 -0.0000323859
A09H 0.0416800954 -0.0039107822 -0.0000134886
A10H 0.0156977431 -0.0473789984 0.0001916342
A11N 0.0589395456 0.0274041966 0.2267207047
A12H -0.0350014190 0.0463406683 0.0118143363
A13H -0.0301034587 -0.0526175887 0.0140846634
BO21 0.2029832372 0.0241615480 -0.0238934104
BO32 0.1238605619 0.0308949485 -0.0144415409
BO43 0.0308622515 0.0651128040 0.0011269450
BO54 -0.0332637064 -0.0073116693 0.0117869951
BO61 0.0238212639 0.0638620545 0.0023366972
BO65 0.0315781784 -0.0683144706 0.0055842014
BO73 0.1163529413 -0.2182024109 -0.0023065520
BO84 -0.1232369848 -0.2051047953 -0.0009471187
BO95 -0.2378489427 0.0090438528 -0.0006926081
BO106 -0.0966403095 0.1973378659 -0.0001720913
BO112 -0.0034501875 -0.0569534344 0.0557085129
BO1211 0.0687380215 -0.1471750720 -0.0628838529
BO1311 0.0744494255 0.1391588601 -0.0485797116
STOP
QUADRUPOLES
A01N -4.0768290013 -4.4641433458 -4.2990839973 -0.3958114115 >
-0.0051482136 0.0139179349
A02C -2.1526929712 -2.3129460308 -2.3956734150 -0.1102275386 >
0.0333503622 0.0109211958
A03C -3.6427015547 -3.7205620180 -4.1038968033 0.0742629860 >
-0.0059419711 -0.0012645755
A04C -3.3451112721 -3.4741830795 -3.3638324896 -0.1045758614 >
-0.0038262853 0.0036507096
A05C -3.7435070329 -3.5191747353 -4.0303999032 0.0049426429 >
0.0037450779 0.0012920799
A06C -2.7372980939 -3.1367888118 -2.9926134799 0.0877204420 >
-0.0021530352 0.0009746638
A07H -0.4496693353 -0.4439226794 -0.4454740080 -0.0081278178 >
0.0007294001 0.0006072775
A08H -0.4224785289 -0.4195895402 -0.4246831043 0.0023309014 >
0.0000162832 0.0000285232
A09H -0.4284359089 -0.4332424047 -0.4339075667 -0.0001824357 >
0.0000135060 -0.0000012809
A10H -0.4431560729 -0.4463090476 -0.4451212593 -0.0015902874 >
0.0000074781 0.0000034122
A11N -4.0775756263 -4.1794064157 -5.1849853188 -0.0100603663 >
-0.1930096458 0.0119590342
A12H -0.3436521037 -0.3329677866 -0.3346351467 -0.0051499869 >
-0.0001121763 0.0038181596
A13H -0.3216374108 -0.3209138418 -0.3221750416 0.0005386707 >
-0.0012050828 -0.0026701174
BO21 -0.2995072009 -0.1541727304 -0.7056096020 -0.1474903480 >
-0.0128798907 0.0277903987
BO32 0.0571273752 -0.0346752629 -0.4838050758 -0.0976482450 >
0.0014615727 -0.0045514315
BO43 -0.1514308619 -0.1062489457 -0.7683319712 0.0162524604 >
-0.0068951301 0.0027396020
BO54 0.1303486972 0.1009795388 -0.3919198794 0.0023198141 >
-0.0082308793 -0.0008315064
BO61 0.0206774364 0.1550619530 -0.5124483230 -0.0380365291 >
-0.0009217246 -0.0060525130
BO65 0.0687131748 0.1116864677 -0.5661226514 -0.1203917044 >
-0.0008372181 -0.0018704719
BO73 -0.2899455747 -0.2924227051 -0.2957206179 0.0012077074 >
-0.0000371756 0.0000470544
BO84 -0.3044081067 -0.3051254342 -0.3095288753 -0.0015879469 >
0.0000023753 0.0000272656
BO95 -0.3014819931 -0.2983503698 -0.3038379713 0.0006376572 >
0.0000227083 0.0000004190
BO106 -0.3284524591 -0.3346348769 -0.3392485424 0.0026043498 >
-0.0000033926 -0.0000184613
BO112 0.4273434906 0.6462613711 0.3086564155 -0.0215960927 >
-0.0226277678 -0.0063843822
BO1211 -0.1543802151 -0.1283065249 -0.1592539660 -0.0129569321 >
-0.0057147228 0.0125562442
BO1311 -0.1129265571 -0.0876952141 -0.1216090393 0.0100873208 >
-0.0081870297 -0.0079870310
STOP
OCTUPOLES
A01N 0.8976775571 1.1370545454 0.0518491228 0.3804983276 >
0.0163696027 0.3271911987 0.0176695456 0.2920233586 >
0.3698870670 -0.0002424467
A02C -0.6468422092 -1.0881000792 -0.1672360007 -0.3660261066 >
-0.0550593075 -0.3266360794 -0.0558004872 -0.2721113500 >
-0.3926087480 -0.0003971338
A03C 0.4140743230 -0.1698148300 -0.0225534426 -0.0388684233 >
-0.0095039427 0.3136340898 -0.0082737536 0.1147949315 >
0.0123624521 -0.0004262790
A04C -0.1708425416 -0.3502197280 -0.0031274514 -0.1342640939 >
0.0001548761 -0.2184142705 -0.0010417540 -0.0362787454 >
-0.0453703360 0.0000544629
A05C -0.5397180343 0.2423895913 -0.0315752302 0.1255427781 >
-0.0102310381 -0.0228095139 -0.0104265721 -0.0521010391 >
0.0944415602 0.0001572414
A06C -1.1883562436 0.4679330099 -0.0069414819 0.1139099399 >
-0.0022884741 -0.5462053308 -0.0029392672 -0.4448164336 >
0.0616519298 0.0001963302
A07H 0.0094299697 0.0622917304 -0.0024528147 0.0280780993 >
-0.0022906049 0.0081363986 -0.0014423166 -0.0019998021 >
0.0223735877 -0.0009079696
A08H 0.0327183605 0.0456338109 -0.0000673663 0.0149661854 >
-0.0000279887 0.0071562675 -0.0000386923 0.0116902918 >
0.0179007907 -0.0000096500
A09H 0.0530865776 -0.0060551545 -0.0000290428 -0.0012498121 >
-0.0000185890 0.0212379282 -0.0000088780 0.0216038671 >
-0.0020702857 0.0000008800
A10H 0.0227680876 -0.0700973322 0.0003039399 -0.0232673638 >
0.0000926844 0.0044806810 0.0000762958 0.0079541323 >
-0.0253472020 0.0000147247
A11N 0.0416050975 0.0836412529 0.6714023410 0.0310095546 >
0.2189266245 0.1061084425 0.1929380273 0.0174771241 >
0.0288248619 -0.0024665270
A12H -0.0774692092 0.0463579536 0.0177584412 0.0098830284 >
0.0067697751 -0.0216762524 0.0022757293 -0.0212277485 >
0.0190723842 0.0029494507
A13H -0.0422059454 -0.0702015066 0.0201402592 -0.0240051102 >
0.0056831841 -0.0100326397 0.0026831091 -0.0144645271 >
-0.0251100391 -0.0022921319
BO21 0.8539070944 0.4591784784 -0.1086379141 0.1757382365 >
-0.0525250005 0.2936153017 -0.0450941821 0.3237678154 >
0.0834509473 -0.0025006736
BO32 0.9208445558 0.1636968958 -0.0745052572 -0.0969372664 >
-0.0241540920 0.2226055553 -0.0233336121 0.3052559797 >
-0.0216899986 -0.0052061656
BO43 0.1438017851 0.4332619794 0.0045464908 0.1381547656 >
0.0015246131 0.0583788865 0.0016571725 0.0441054288 >
0.1004538509 0.0000250159
BO54 -0.0310660439 0.0344618139 0.0503725094 0.0622226613 >
0.0270546793 0.0115578709 0.0187418265 -0.1447046368 >
-0.0157257483 0.0002672152
BO61 0.3095338887 0.5890996942 0.0072375944 0.1523203272 >
0.0033928884 0.0837181474 -0.0025119597 0.0699906657 >
0.2270599466 0.0022582414
BO65 0.0771873725 -0.3664798027 0.0258205734 0.0247632166 >
0.0164868293 -0.0162081498 0.0046789248 -0.0443398087 >
-0.0440359928 0.0003351709
BO73 0.4148984652 -0.7825406283 -0.0105360885 -0.2605871018 >
-0.0034873370 0.1418939746 -0.0035020240 0.1395017422 >
-0.2607964853 0.0000048463
BO84 -0.4297738874 -0.7295995558 -0.0041130167 -0.2437030355 >
-0.0013701193 -0.1466950001 -0.0013620761 -0.1441986397 >
-0.2435607817 -0.0000041262
BO95 -0.8466206041 0.0221511001 -0.0031747338 0.0081397740 >
-0.0010531715 -0.2791726777 -0.0010520134 -0.2814261197 >
0.0075398606 0.0000005050
BO106 -0.3474007151 0.6866892428 -0.0002035392 0.2262439675 >
-0.0000436688 -0.1201881355 -0.0000577272 -0.1168985501 >
0.2290219629 0.0000114930
BO112 0.1254453568 -0.4678970471 0.2646973362 -0.0455058282 >
0.1176417517 0.1275632693 0.1369388809 0.0417980797 >
-0.0646374261 0.0031974691
BO1211 0.2138202548 -0.4896317209 -0.2182058788 -0.1630572498 >
-0.0725889283 0.0745199745 -0.0731550945 0.0714421855 >
-0.1626926518 0.0009510293
BO1311 0.2422515805 0.4756056058 -0.1596460015 0.1584674232 >
-0.0526182849 0.0795630882 -0.0513334875 0.0808634028 >
0.1559678636 -0.0020632170
STOP
POLARIZABLE POINTS
CT1 0.5656988371 -2.1815017619 -0.0120605221
2.4511247626 1.0669566240 0.3910921738 -0.0362310258 >
-0.0645950272 0.0036617035 -0.1451317609 -0.0278023628 >
-0.0013237730
CT2 -4.7960065111 1.0176902228 0.2576915578
2.9802801015 2.6794175929 1.2055981856 -1.6332297618 >
-0.9143753674 0.5198747088 -0.8042602567 -0.3541583395 >
0.4803783214
CT3 0.7003102729 2.0890008060 -0.5385522160
8.5522379400 6.3799801592 5.0242632575 1.5716664657 >
-1.2756472885 -0.5160257611 -0.7872279300 -0.0806239288 >
0.0162148101
CT4 2.7083151315 -0.8301662445 -0.5420173747
9.1217457646 9.4068146956 5.3621222126 -1.1447957004 >
-0.5390099111 1.6177615245 -0.6530500040 0.2220560623 >
0.0308974781
CT5 2.9166811760 1.0766114471 -0.0056321987
1.8937687272 2.4550159861 0.5148490332 -0.3117352121 >
-0.0040325693 -0.0137570858 -0.4519392794 -0.0074804144 >
0.0034182485
CT6 -1.0714802488 1.2041959201 0.0033966098
2.1946585294 2.1615927812 0.4515135356 0.3634525726 >
-0.0118348659 -0.0097647048 0.4141698223 -0.0399736261 >
-0.0196447972
CT7 -3.2184075578 0.0564135354 0.1367642943
4.4303540648 0.9891450342 0.8590389614 0.0839787489 >
0.8911198462 -0.0007429115 0.0540061119 0.2499318277 >
-0.0061532152
CT8 -4.8214740072 -0.8802935591 0.2893846652
3.2014161423 2.7199774498 1.2757645889 1.7602117190 >
-1.0550544497 -0.5960958223 0.9165582799 -0.4128250746 >
-0.5387581415
CT9 -1.0188466743 3.5332923645 0.0096941452
2.7351442684 4.9634204052 1.7298079586 -1.6837826168 >
-0.0020792886 0.0007986050 -1.5652689744 -0.0018985814 >
-0.0149561204
CT10 -0.7432841278 -1.3308746347 -0.4457104961
5.4652175617 4.6013215427 2.6701228473 -1.0745694524 >
0.9629685309 -0.2503961038 0.7168085050 -0.0377872980 >
-0.4678847822
CT11 2.5609598955 -3.5281323847 0.0054799658
2.5801157317 5.2568235725 1.8694277952 -1.6023459818 >
0.0023677906 -0.0097515646 -1.5153868147 -0.0076437513 >
0.0037073194
CT12 3.0136715786 3.3952206006 0.0021029977
3.1653136495 4.7083257861 1.8242502899 1.9549365988 >
0.0049075358 0.0001664868 1.7360556537 -0.0107057190 >
-0.0085699645
CT13 -0.6599467839 -1.3770403013 0.4810549019
6.4857777665 5.2500179967 3.2124115803 -1.1805313757 >
-0.9836724020 0.2339172078 1.0778862514 0.0165998994 >
0.4207506331
CT14 4.8654494176 -0.2289639542 -0.0023021303
6.1481857628 1.7924817234 1.7308461481 -0.2953505293 >
0.0008272247 0.0008788466 -0.3602136014 -0.0106225623 >
-0.0000145935
CT15 -4.1692662706 0.0539276428 -0.6233793372
9.8481789189 2.0049129093 5.1707988863 0.0862849001 >
1.1340875899 0.0444553252 0.0608573085 0.5593978952 >
0.0281900003
CT16 -0.9533009134 -2.8165903492 0.0038480732
3.1494741734 4.1578641520 1.9800852791 0.9938681262 >
-0.0091745789 0.0009399883 1.0371014820 -0.0140260187 >
0.0218035970
CT17 0.6846699422 2.0753777109 0.5604327817
8.8699482306 6.6555373206 5.2260493308 1.6024607822 >
1.1690321795 0.5560714626 -0.8136787839 -0.0124968722 >
0.0330327469
CT18 2.7067184869 -0.8087366532 0.5458626809
9.4623541878 9.7264210192 5.5431535080 -1.1999407040 >
0.4904048166 -1.5784509459 -0.6622470995 -0.2471952261 >
0.0198221234
STOP
DYNAMIC POLARIZABLE POINTS
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.002792I A.U.
2.4471414141 1.0664762374 0.3910095213 -0.0359276446 >
-0.0647921113 0.0034655744 -0.1402268324 -0.0277768898 >
-0.0012015687
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.9799685330 2.6791237961 1.2063410010 -1.6347531371 >
-0.9158902359 0.5198467964 -0.8047496701 -0.3533997512 >
0.4805329529
CT 3 0.7003102729 2.0890008060 -0.5385522160
8.5482058315 6.3856217484 5.0247055641 1.5747533438 >
-1.2781301040 -0.5162554503 -0.7946733673 -0.0797064089 >
0.0133824600
CT 4 2.7083151315 -0.8301662445 -0.5420173747
9.1317939554 9.4147101692 5.3616257714 -1.1426506419 >
-0.5398242048 1.6191732135 -0.6474411356 0.2202012409 >
0.0328590920
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.8892413899 2.4564664100 0.5152996777 -0.3046735904 >
-0.0044989225 -0.0140683116 -0.4521067881 -0.0071325107 >
0.0026285599
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.1921023323 2.1546344142 0.4515766981 0.3593389710 >
-0.0119594586 -0.0098642431 0.4107493146 -0.0390694730 >
-0.0194195872
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.4289096236 0.9871029175 0.8584990936 0.0838737117 >
0.8909119290 -0.0003148771 0.0549769003 0.2517195123 >
-0.0063225480
CT 8 -4.8214740072 -0.8802935591 0.2893846652
3.2014941952 2.7199069427 1.2765666456 1.7620745565 >
-1.0567553160 -0.5966364090 0.9163518694 -0.4120166347 >
-0.5391048993
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7329212350 4.9660601758 1.7294628334 -1.6849187578 >
-0.0025307632 0.0006892711 -1.5676372672 -0.0015503372 >
-0.0151045977
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
5.4687181577 4.5955833394 2.6699548735 -1.0811358144 >
0.9646362147 -0.2504782169 0.7173248710 -0.0372636841 >
-0.4665359670
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5782159241 5.2593230896 1.8695021695 -1.6026200826 >
0.0019012293 -0.0098127617 -1.5177380003 -0.0074366500 >
0.0038738795
CT 12 3.0136715786 3.3952206006 0.0021029977
3.1642337974 4.7095179695 1.8250431674 1.9561187846 >
0.0043234405 0.0001048513 1.7381603134 -0.0106397533 >
-0.0089224960
CT 13 -0.6599467839 -1.3770403013 0.4810549019
6.4897346971 5.2429590458 3.2122346176 -1.1884153246 >
-0.9867968937 0.2336655269 1.0786575475 0.0169114283 >
0.4223271747
CT 14 4.8654494176 -0.2289639542 -0.0023021303
6.1510361249 1.7905759874 1.7308743931 -0.2958023264 >
0.0002218337 0.0006611299 -0.3588644708 -0.0112675888 >
-0.0000250704
CT 15 -4.1692662706 0.0539276428 -0.6233793372
9.8559233518 2.0031757117 5.1707942286 0.0858496913 >
1.1346308837 0.0444396902 0.0637816065 0.5568773893 >
0.0279481345
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.1460622502 4.1569723087 1.9799820963 0.9960073292 >
-0.0096170548 0.0009330600 1.0385751182 -0.0136496874 >
0.0219617019
CT 17 0.6846699422 2.0753777109 0.5604327817
8.8656081318 6.6614891983 5.2249708046 1.6070111498 >
1.1699337880 0.5555585902 -0.8217097249 -0.0131636559 >
0.0316779059
CT 18 2.7067184869 -0.8087366532 0.5458626809
9.4738370711 9.7355277503 5.5415264158 -1.1963231158 >
0.4889440732 -1.5804880863 -0.6559258964 -0.2484974999 >
0.0200618872
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.015107I A.U.
2.4479309285 1.0665481845 0.3911784007 -0.0361981551 >
-0.0647157319 0.0035011158 -0.1407259954 -0.0277844828 >
-0.0011875975
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.9787271552 2.6789328119 1.2061350405 -1.6333915686 >
-0.9149652187 0.5198306052 -0.8045202814 -0.3532449334 >
0.4802664325
CT 3 0.7003102729 2.0890008060 -0.5385522160
8.5375160454 6.3810387082 5.0212318297 1.5686680112 >
-1.2753420038 -0.5165675410 -0.7892177371 -0.0799245396 >
0.0129326082
CT 4 2.7083151315 -0.8301662445 -0.5420173747
9.1184289317 9.3985693943 5.3571558542 -1.1376765516 >
-0.5378373294 1.6157098894 -0.6457004701 0.2193885723 >
0.0334970625
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.8897434209 2.4573152538 0.5156305899 -0.3055727053 >
-0.0045082317 -0.0140296738 -0.4522488343 -0.0071267204 >
0.0026162941
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.1928898311 2.1556848148 0.4519829576 0.3599697775 >
-0.0119404738 -0.0098452868 0.4110140757 -0.0390304568 >
-0.0193959107
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.4271709185 0.9875683881 0.8582632174 0.0836411949 >
0.8896606076 -0.0003456125 0.0548657841 0.2514138649 >
-0.0063332503
CT 8 -4.8214740072 -0.8802935591 0.2893846652
3.2000411192 2.7196448089 1.2763166994 1.7604732837 >
-1.0555657190 -0.5965691452 0.9160707359 -0.4118195281 >
-0.5388034072
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7332463514 4.9637911958 1.7291480875 -1.6832732489 >
-0.0025454682 0.0006756368 -1.5663466312 -0.0015547126 >
-0.0150920738
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
5.4655628373 4.5923044800 2.6691579373 -1.0781262598 >
0.9639572750 -0.2515131896 0.7126499199 -0.0368939993 >
-0.4659957274
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5783291050 5.2568390391 1.8690767112 -1.6012302291 >
0.0019011928 -0.0098118112 -1.5165549845 -0.0074260511 >
0.0038616234
CT 12 3.0136715786 3.3952206006 0.0021029977
3.1637615676 4.7077163842 1.8246994817 1.9546361365 >
0.0042992991 0.0001126918 1.7369197721 -0.0106270964 >
-0.0089090499
CT 13 -0.6599467839 -1.3770403013 0.4810549019
6.4855604396 5.2387850417 3.2112659494 -1.1843082805 >
-0.9859888094 0.2347047070 1.0728827816 0.0165043960 >
0.4219774675
CT 14 4.8654494176 -0.2289639542 -0.0023021303
6.1479207709 1.7915622297 1.7306426844 -0.2957843454 >
0.0002127726 0.0006610652 -0.3586080683 -0.0112614451 >
-0.0000217526
CT 15 -4.1692662706 0.0539276428 -0.6233793372
9.8418824965 2.0038895502 5.1678688786 0.0852676429 >
1.1329584681 0.0444185677 0.0636327277 0.5563845972 >
0.0279301594
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.1457167480 4.1552396715 1.9788802391 0.9945302282 >
-0.0096137145 0.0009761837 1.0370836236 -0.0136253377 >
0.0219494912
CT 17 0.6846699422 2.0753777109 0.5604327817
8.8542898446 6.6566582031 5.2213336319 1.6007726898 >
1.1674876206 0.5557003565 -0.8160105884 -0.0127048624 >
0.0319667550
CT 18 2.7067184869 -0.8087366532 0.5458626809
9.4598331570 9.7186447031 5.5368930086 -1.1911224939 >
0.4870143494 -1.5771106876 -0.6542124962 -0.2477643562 >
0.0192363790
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.039002I A.U.
2.4524808762 1.0669516812 0.3921596558 -0.0377643827 >
-0.0642709431 0.0037038024 -0.1435956109 -0.0278272469 >
-0.0011064325
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.9714907346 2.6777733593 1.2049311419 -1.6254734759 >
-0.9095917914 0.5197156954 -0.8031736405 -0.3523425856 >
0.4787152803
CT 3 0.7003102729 2.0890008060 -0.5385522160
8.4755639127 6.3541817336 5.0009908164 1.5336832978 >
-1.2592548436 -0.5182633070 -0.7580316873 -0.0811924927 >
0.0103225433
CT 4 2.7083151315 -0.8301662445 -0.5420173747
9.0411326344 9.3054519180 5.3311886535 -1.1091869717 >
-0.5264316555 1.5957520815 -0.6356973479 0.2146990219 >
0.0371936991
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.8926057521 2.4621778503 0.5175522781 -0.3107311906 >
-0.0045609046 -0.0138072138 -0.4530698368 -0.0070932958 >
0.0025454633
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.1973862212 2.1616971473 0.4543402654 0.3636147635 >
-0.0118294607 -0.0097364027 0.4125505433 -0.0388033142 >
-0.0192588849
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.4170256292 0.9902372494 0.8568889744 0.0823034824 >
0.8824038393 -0.0005232245 0.0542237598 0.2496432665 >
-0.0063942721
CT 8 -4.8214740072 -0.8802935591 0.2893846652
3.1915764235 2.7180680958 1.2748573422 1.7511791565 >
-1.0486680903 -0.5961547614 0.9144163825 -0.4106714571 >
-0.5370494309
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7350613494 4.9505698078 1.7273054334 -1.6737091681 >
-0.0026298450 0.0005967401 -1.5588240379 -0.0015800126 >
-0.0150190903
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
5.4469502610 4.5731860850 2.6644782614 -1.0608114465 >
0.9599426003 -0.2574024983 0.6858794118 -0.0347401118 >
-0.4628602436
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5789253149 5.2423546623 1.8665879620 -1.5931413366 >
0.0019007281 -0.0098056338 -1.5096574138 -0.0073646683 >
0.0037908628
CT 12 3.0136715786 3.3952206006 0.0021029977
3.1609598846 4.6971771712 1.8226870372 1.9459854352 >
0.0041603850 0.0001572705 1.7296854273 -0.0105537154 >
-0.0088311594
CT 13 -0.6599467839 -1.3770403013 0.4810549019
6.4609697544 5.2144636601 3.2055743875 -1.1606796613 >
-0.9812276365 0.2406195269 1.0398089265 0.0141391134 >
0.4199418697
CT 14 4.8654494176 -0.2289639542 -0.0023021303
6.1297485146 1.7972130313 1.7292784990 -0.2956444187 >
0.0001606313 0.0006605280 -0.3571118823 -0.0112253078 >
-0.0000028689
CT 15 -4.1692662706 0.0539276428 -0.6233793372
9.7605100042 2.0079161867 5.1508370203 0.0819357623 >
1.1232572220 0.0442898075 0.0627612209 0.5535148667 >
0.0278249950
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.1436190259 4.1451034513 1.9724705264 0.9859581161 >
-0.0095923464 0.0012237553 1.0284354497 -0.0134837939 >
0.0218781209
CT 17 0.6846699422 2.0753777109 0.5604327817
8.7887009815 6.6283465608 5.2001398717 1.5649127518 >
1.1533728116 0.5564236158 -0.7834355748 -0.0100518682 >
0.0336451001
CT 18 2.7067184869 -0.8087366532 0.5458626809
9.3788422145 9.6212440961 5.5099744309 -1.1613373578 >
0.4759428391 -1.5576489613 -0.6443667615 -0.2435298867 >
0.0144628366
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.077996I A.U.
2.4674694094 1.0681371313 0.3954992436 -0.0430250447 >
-0.0627454108 0.0043465347 -0.1529788691 -0.0279543016 >
-0.0008304848
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.9465470711 2.6731851015 1.2007377360 -1.5984298102 >
-0.8913157631 0.5190595662 -0.7984095979 -0.3492344648 >
0.4734001221
CT 3 0.7003102729 2.0890008060 -0.5385522160
8.2666378338 6.2599648718 4.9313601119 1.4192376552 >
-1.2058930602 -0.5225927658 -0.6582026308 -0.0855153691 >
0.0014933255
CT 4 2.7083151315 -0.8301662445 -0.5420173747
8.7824910613 8.9966884761 5.2428331678 -1.0172554917 >
-0.4893170033 1.5298536347 -0.6029959138 0.1991473337 >
0.0496447795
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.9016452440 2.4778399111 0.5240783729 -0.3274704335 >
-0.0047227000 -0.0130751807 -0.4558052222 -0.0069827349 >
0.0023113120
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.2116749987 2.1810099309 0.4623212493 0.3757537042 >
-0.0114433380 -0.0093809656 0.4177473167 -0.0380253767 >
-0.0188002474
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.3819305163 0.9988710598 0.8521620386 0.0779119467 >
0.8578773061 -0.0011144447 0.0520832181 0.2436835856 >
-0.0065877759
CT 8 -4.8214740072 -0.8802935591 0.2893846652
3.1624712683 2.7120149065 1.2697950656 1.7196541997 >
-1.0253640655 -0.5944469914 0.9085184176 -0.4067262478 >
-0.5310479670
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7402837339 4.9050506802 1.7208508619 -1.6411060923 >
-0.0029035483 0.0003325556 -1.5329202259 -0.0016650372 >
-0.0147674384
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
5.3801717295 4.5072636677 2.6479171248 -1.0040153290 >
0.9454260958 -0.2759140806 0.5995987118 -0.0273392973 >
-0.4522361916
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5801626954 5.1923706324 1.8578988495 -1.5654322426 >
0.0018959917 -0.0097763803 -1.4858770345 -0.0071584986 >
0.0035558336
CT 12 3.0136715786 3.3952206006 0.0021029977
3.1506717997 4.6603765230 1.8156334578 1.9160818721 >
0.0037046709 0.0002967437 1.7047208806 -0.0103058591 >
-0.0085691605
CT 13 -0.6599467839 -1.3770403013 0.4810549019
6.3731409761 5.1308063540 3.1853896077 -1.0831823733 >
-0.9642200684 0.2592303616 0.9331442596 0.0060843019 >
0.4129616914
CT 14 4.8654494176 -0.2289639542 -0.0023021303
6.0669617979 1.8154406638 1.7244019696 -0.2947329035 >
-0.0000102528 0.0006566648 -0.3519350400 -0.0110959835 >
0.0000567424
CT 15 -4.1692662706 0.0539276428 -0.6233793372
9.4861649268 2.0201028477 5.0923972066 0.0712091697 >
1.0904412193 0.0437802944 0.0597277894 0.5436679691 >
0.0274584872
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.1353230891 4.1097132502 1.9505532682 0.9569165791 >
-0.0094956389 0.0020287881 0.9992223391 -0.0130016510 >
0.0216294129
CT 17 0.6846699422 2.0753777109 0.5604327817
8.5675822410 6.5290078072 5.1272284257 1.4476658901 >
1.1065434283 0.5576512349 -0.6791975568 -0.0011832542 >
0.0393593350
CT 18 2.7067184869 -0.8087366532 0.5458626809
9.1078430837 9.2982699141 5.4183641793 -1.0652502796 >
0.4399921654 -1.4933990726 -0.6121865859 -0.2294285338 >
-0.0014977710
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.138651I A.U.
2.5023833227 1.0698072369 0.4041561363 -0.0561879979 >
-0.0587176699 0.0057077314 -0.1747558118 -0.0281552762 >
-0.0001190444
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.8792345944 2.6564992629 1.1890729973 -1.5273903358 >
-0.8438761972 0.5154619440 -0.7846481086 -0.3408705296 >
0.4592917926
CT 3 0.7003102729 2.0890008060 -0.5385522160
7.7362689282 5.9970099984 4.7451156433 1.1527570802 >
-1.0764983173 -0.5245688762 -0.4399125190 -0.0967555571 >
-0.0209619223
CT 4 2.7083151315 -0.8301662445 -0.5420173747
8.1400171867 8.2472730382 5.0129556565 -0.8108024068 >
-0.4040129854 1.3717867299 -0.5264841631 0.1615528932 >
0.0810081159
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.9199561922 2.5120516642 0.5408706302 -0.3654390008 >
-0.0050287515 -0.0113384282 -0.4623959399 -0.0067175364 >
0.0017521387
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.2413975718 2.2230479836 0.4826868138 0.4052144074 >
-0.0103928162 -0.0085531546 0.4308493381 -0.0359669950 >
-0.0176594139
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.2863389634 1.0181552522 0.8394855691 0.0675246021 >
0.7953365772 -0.0025393067 0.0468275361 0.2286853678 >
-0.0069947441
CT 8 -4.8214740072 -0.8802935591 0.2893846652
3.0844257597 2.6912687791 1.2558691477 1.6382267177 >
-0.9658824749 -0.5879188314 0.8912450203 -0.3961735761 >
-0.5151707368
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7467456874 4.7823741635 1.7026399202 -1.5558733753 >
-0.0035190209 -0.0003173478 -1.4634925030 -0.0018771488 >
-0.0140939041
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
5.1844986986 4.3300557962 2.6002300137 -0.8707550033 >
0.9022878931 -0.3139612287 0.4069642132 -0.0076932968 >
-0.4249972209
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5774918751 5.0569698284 1.8336435536 -1.4920591495 >
0.0018627711 -0.0096423612 -1.4219218117 -0.0066417414 >
0.0029841275
CT 12 3.0136715786 3.3952206006 0.0021029977
3.1182533678 4.5577335956 1.7957169987 1.8351044604 >
0.0026385724 0.0005795831 1.6373290219 -0.0096745036 >
-0.0079088857
CT 13 -0.6599467839 -1.3770403013 0.4810549019
6.1183588148 4.9073565673 3.1269832389 -0.9015124390 >
-0.9149742702 0.2976100486 0.6944960400 -0.0148168765 >
0.3944749205
CT 14 4.8654494176 -0.2289639542 -0.0023021303
5.8965544584 1.8557176074 1.7099259121 -0.2895403371 >
-0.0004057218 0.0006336601 -0.3378323893 -0.0107155550 >
0.0001812459
CT 15 -4.1692662706 0.0539276428 -0.6233793372
8.7912286536 2.0413051378 4.9366536933 0.0473188240 >
1.0066364774 0.0420449017 0.0516108707 0.5175184155 >
0.0264487103
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.1053628024 4.0111709299 1.8928271395 0.8825075851 >
-0.0090899749 0.0038616506 0.9248232244 -0.0117531376 >
0.0209411153
CT 17 0.6846699422 2.0753777109 0.5604327817
8.0067600724 6.2516555390 4.9321951500 1.1750537002 >
0.9928698849 0.5528775103 -0.4515118954 0.0207514495 >
0.0541559601
CT 18 2.7067184869 -0.8087366532 0.5458626809
8.4347222485 8.5143516688 5.1799118395 -0.8496453524 >
0.3578920823 -1.3393356527 -0.5369163785 -0.1948949907 >
-0.0409459957
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.233223I A.U.
2.5513547867 1.0658823948 0.4219062142 -0.0812699842 >
-0.0501603312 0.0073903167 -0.2094246833 -0.0280030362 >
0.0013080229
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.7237519271 2.5972698321 1.1600856551 -1.3738937544 >
-0.7442279708 0.4991222571 -0.7484333120 -0.3217337703 >
0.4279172241
CT 3 0.7003102729 2.0890008060 -0.5385522160
6.6722860263 5.3799604843 4.3299494852 0.7161478897 >
-0.8418008319 -0.4954378896 -0.1349137505 -0.1197775423 >
-0.0648011596
CT 4 2.7083151315 -0.8301662445 -0.5420173747
6.9092712831 6.8715049617 4.5253617975 -0.4958446511 >
-0.2670642557 1.0893651641 -0.3953661101 0.0946635995 >
0.1414287384
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.9324836655 2.5514054514 0.5744658285 -0.4223363336 >
-0.0052388574 -0.0083333906 -0.4726390375 -0.0062468169 >
0.0007982780
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.2674915911 2.2734964183 0.5227813420 0.4557306506 >
-0.0080884877 -0.0071482142 0.4546915587 -0.0314544819 >
-0.0154522006
CT 7 -3.2184075578 0.0564135354 0.1367642943
4.0615191187 1.0442585404 0.8106451407 0.0493188897 >
0.6694139188 -0.0049007430 0.0370564583 0.1996325172 >
-0.0074626655
CT 8 -4.8214740072 -0.8802935591 0.2893846652
2.9063027516 2.6229301132 1.2220414693 1.4670421072 >
-0.8446465258 -0.5647710357 0.8455118853 -0.3723026831 >
-0.4800016077
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.7241633473 4.4979385278 1.6562306806 -1.3736119638 >
-0.0043776895 -0.0014593924 -1.3085043949 -0.0022678821 >
-0.0126151223
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
4.6940516284 3.9334202770 2.4774395661 -0.6479567054 >
0.7931658032 -0.3555561550 0.1215592212 0.0344587949 >
-0.3698204578
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.5420016617 4.7413009020 1.7736363299 -1.3311335517 >
0.0017146528 -0.0091043933 -1.2779983761 -0.0056341288 >
0.0019407971
CT 12 3.0136715786 3.3952206006 0.0021029977
3.0205310579 4.3060968274 1.7450522131 1.6505305962 >
0.0009088042 0.0008810920 1.4837385295 -0.0083962513 >
-0.0066018675
CT 13 -0.6599467839 -1.3770403013 0.4810549019
5.4895740334 4.4136153710 2.9754908309 -0.5996436823 >
-0.7948167677 0.3401473030 0.3383343068 -0.0577489345 >
0.3543551481
CT 14 4.8654494176 -0.2289639542 -0.0023021303
5.4999440462 1.9074919467 1.6696107590 -0.2682528729 >
-0.0010019470 0.0005413733 -0.3048911754 -0.0097246801 >
0.0003299010
CT 15 -4.1692662706 0.0539276428 -0.6233793372
7.4109906542 2.0406226904 4.5869863763 0.0120018309 >
0.8379274234 0.0372849799 0.0353227892 0.4601584517 >
0.0241000720
CT 16 -0.9533009134 -2.8165903492 0.0038480732
3.0019622840 3.7717899978 1.7675728631 0.7325127967 >
-0.0077009971 0.0066010349 0.7754750403 -0.0092221647 >
0.0192961542
CT 17 0.6846699422 2.0753777109 0.5604327817
6.8839065361 5.6006657868 4.4974630657 0.7297125626 >
0.7857445202 0.5140832439 -0.1343487011 0.0618992124 >
0.0841853074
CT 18 2.7067184869 -0.8087366532 0.5458626809
7.1456864429 7.0756986567 4.6738134606 -0.5215549708 >
0.2283148664 -1.0641034780 -0.4078073978 -0.1312535316 >
-0.1143028631
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.385897I A.U.
2.5255291847 1.0303595709 0.4469520781 -0.1129778660 >
-0.0364894936 0.0077514554 -0.2360900466 -0.0260836870 >
0.0032395680
CT 2 -4.7960065111 1.0176902228 0.2576915578
2.4084610511 2.4122974933 1.0921893463 -1.1027963188 >
-0.5777862468 0.4456016126 -0.6618428851 -0.2837176207 >
0.3687760691
CT 3 0.7003102729 2.0890008060 -0.5385522160
5.0360744919 4.2486181761 3.5749457172 0.2665057862 >
-0.5385856614 -0.3897729139 0.0740571411 -0.1518532957 >
-0.1220854168
CT 4 2.7083151315 -0.8301662445 -0.5420173747
5.1371517090 4.9945224915 3.6897404106 -0.1993242139 >
-0.1265990743 0.7237974021 -0.2316912259 0.0151112720 >
0.2192992410
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.8632018170 2.4991766075 0.6180077072 -0.4590592564 >
-0.0047141849 -0.0047493524 -0.4709757667 -0.0055628386 >
-0.0002348165
CT 6 -1.0714802488 1.2041959201 0.0033966098
2.1889013173 2.2368812705 0.5745557648 0.4978522577 >
-0.0045202903 -0.0053691870 0.4732616787 -0.0233311177 >
-0.0120679050
CT 7 -3.2184075578 0.0564135354 0.1367642943
3.5944115734 1.0418310649 0.7535208941 0.0255488156 >
0.4772236463 -0.0067839436 0.0235305906 0.1596033059 >
-0.0073433666
CT 8 -4.8214740072 -0.8802935591 0.2893846652
2.5513925779 2.4233053483 1.1453939267 1.1720258801 >
-0.6492717808 -0.4986874462 0.7385219472 -0.3256895539 >
-0.4135622834
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.5599623306 3.9151552650 1.5444918101 -1.0603999208 >
-0.0046264935 -0.0024874799 -1.0285554085 -0.0026682255 >
-0.0099983278
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
3.7451455504 3.2197907313 2.2012690728 -0.4020031180 >
0.5861312465 -0.3458446858 -0.1115712559 0.1005428477 >
-0.2856234031
CT 11 2.5609598955 -3.5281323847 0.0054799658
2.3777978952 4.0967543296 1.6377895460 -1.0439700244 >
0.0013382673 -0.0075588052 -1.0137877512 -0.0041106171 >
0.0005810491
CT 12 3.0136715786 3.3952206006 0.0021029977
2.7508862595 3.7624439388 1.6241891114 1.3065820344 >
-0.0006570920 0.0008547162 1.1932948667 -0.0063324873 >
-0.0045992281
CT 13 -0.6599467839 -1.3770403013 0.4810549019
4.2979556458 3.5446797681 2.6327715984 -0.2789812161 >
-0.5751572717 0.3325164544 0.0375173296 -0.1204149303 >
0.2857594861
CT 14 4.8654494176 -0.2289639542 -0.0023021303
4.7024423090 1.8880101876 1.5626448360 -0.2136310340 >
-0.0013357876 0.0003353997 -0.2400238759 -0.0076162398 >
0.0003622788
CT 15 -4.1692662706 0.0539276428 -0.6233793372
5.3468960387 1.9168198272 3.9196700369 -0.0169474822 >
0.5826755670 0.0284642348 0.0149588458 0.3588586254 >
0.0196826248
CT 16 -0.9533009134 -2.8165903492 0.0038480732
2.7007733080 3.2680497664 1.5438193103 0.5100265822 >
-0.0046981248 0.0083126844 0.5506826380 -0.0055757378 >
0.0159517750
CT 17 0.6846699422 2.0753777109 0.5604327817
5.1640417960 4.4083118228 3.7074105360 0.2727521781 >
0.5141491760 0.3998606498 0.0807021112 0.1152164485 >
0.1257239179
CT 18 2.7067184869 -0.8087366532 0.5458626809
5.2923510364 5.1168160130 3.8063135713 -0.2147464074 >
0.1006645982 -0.7075057265 -0.2455518885 -0.0492247786 >
-0.2051220886
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 0.649114I A.U.
2.1956037433 0.9032374438 0.4537139334 -0.1246461746 >
-0.0213143518 0.0055911992 -0.2095484959 -0.0204068085 >
0.0042642338
CT 2 -4.7960065111 1.0176902228 0.2576915578
1.8549573382 1.9670732290 0.9423814427 -0.7228186112 >
-0.3635029922 0.3296925122 -0.4930797549 -0.2180333838 >
0.2752045682
CT 3 0.7003102729 2.0890008060 -0.5385522160
3.1761897385 2.7699432180 2.5115951014 0.0161869138 >
-0.2690883445 -0.2253329195 0.0854810652 -0.1658573487 >
-0.1506969193
CT 4 2.7083151315 -0.8301662445 -0.5420173747
3.2176727954 3.0637591192 2.5649823823 -0.0327363777 >
-0.0393933124 0.3813870589 -0.0821803250 -0.0358205871 >
0.2557905308
CT 5 2.9166811760 1.0766114471 -0.0056321987
1.5669595800 2.1406084668 0.6193090822 -0.4105328944 >
-0.0032084406 -0.0018900946 -0.4099051201 -0.0043089703 >
-0.0008662646
CT 6 -1.0714802488 1.2041959201 0.0033966098
1.8213959657 1.9248656665 0.5856956286 0.4557782520 >
-0.0014147796 -0.0033456363 0.4300751668 -0.0121200088 >
-0.0075840473
CT 7 -3.2184075578 0.0564135354 0.1367642943
2.7585226106 0.9319465950 0.6512181157 0.0022598201 >
0.2682663900 -0.0060666205 0.0086537167 0.1230878268 >
-0.0058839764
CT 8 -4.8214740072 -0.8802935591 0.2893846652
1.9427614798 1.9632438940 0.9816390350 0.7617244155 >
-0.4045458063 -0.3647483434 0.5384093191 -0.2471530771 >
-0.3072615334
CT 9 -1.0188466743 3.5332923645 0.0096941452
2.0671050817 2.9055723937 1.2971609670 -0.6525682650 >
-0.0033772006 -0.0021159515 -0.6481246484 -0.0024978696 >
-0.0061646885
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
2.4695742977 2.2464816128 1.7057214134 -0.2166341981 >
0.3293302371 -0.2544321382 -0.1705993147 0.1549795778 >
-0.1928037933
CT 11 2.5609598955 -3.5281323847 0.0054799658
1.9256837606 3.0009202024 1.3597735808 -0.6521026171 >
0.0008197762 -0.0048486838 -0.6446482828 -0.0022498068 >
-0.0005641845
CT 12 3.0136715786 3.3952206006 0.0021029977
2.1579245120 2.7968432653 1.3603142207 0.8228903902 >
-0.0009519643 0.0004920599 0.7702385526 -0.0036400098 >
-0.0022957350
CT 13 -0.6599467839 -1.3770403013 0.4810549019
2.7476939258 2.4018341750 2.0187897667 -0.0801274547 >
-0.3130913665 0.2447716437 -0.0672879241 -0.1643032814 >
0.1985440318
CT 14 4.8654494176 -0.2289639542 -0.0023021303
3.3886852087 1.6252092656 1.3123741677 -0.1301778608 >
-0.0009834880 0.0001182576 -0.1439814503 -0.0044376818 >
0.0002259259
CT 15 -4.1692662706 0.0539276428 -0.6233793372
3.1328843798 1.5494106190 2.8780762614 -0.0238561950 >
0.3113269367 0.0176359986 0.0012784897 0.2235855194 >
0.0134221340
CT 16 -0.9533009134 -2.8165903492 0.0038480732
2.0611712199 2.4120036795 1.2083615227 0.2897228261 >
-0.0014482243 0.0066521389 0.3170895088 -0.0022510501 >
0.0105949758
CT 17 0.6846699422 2.0753777109 0.5604327817
3.2254312352 2.8568566213 2.5971256470 0.0177128094 >
0.2648720217 0.2299473002 0.0889986277 0.1477411891 >
0.1461150327
CT 18 2.7067184869 -0.8087366532 0.5458626809
3.2947826197 3.1145419324 2.6399898027 -0.0438782879 >
0.0273616834 -0.3729504824 -0.0946172603 0.0131456631 >
-0.2494759574
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 1.153904I A.U.
1.4270051257 0.6291379985 0.3825809299 -0.0877989763 >
-0.0094782137 0.0021918488 -0.1152995077 -0.0114613704 >
0.0031157879
CT 2 -4.7960065111 1.0176902228 0.2576915578
1.0943121844 1.2303011564 0.6616190810 -0.3330762121 >
-0.1626800155 0.1744083000 -0.2649169583 -0.1269646307 >
0.1574644561
CT 3 0.7003102729 2.0890008060 -0.5385522160
1.5786685604 1.4005712504 1.3868509823 -0.0362821011 >
-0.1019747527 -0.0866632264 0.0295244346 -0.1260974870 >
-0.1105598700
CT 4 2.7083151315 -0.8301662445 -0.5420173747
1.5925073478 1.5018394889 1.4051814561 0.0183146500 >
-0.0036367981 0.1485392889 0.0002210505 -0.0341945124 >
0.1927846021
CT 5 2.9166811760 1.0766114471 -0.0056321987
0.9944955469 1.3700700435 0.4909939091 -0.2577609520 >
-0.0014675177 -0.0004163139 -0.2575898035 -0.0022351686 >
-0.0008779664
CT 6 -1.0714802488 1.2041959201 0.0033966098
1.1258161758 1.2493732433 0.4736319649 0.2893122908 >
-0.0002159139 -0.0011742608 0.2797510010 -0.0025170995 >
-0.0027801086
CT 7 -3.2184075578 0.0564135354 0.1367642943
1.6046485744 0.6541167497 0.4786643424 -0.0091890840 >
0.1131892064 -0.0033355187 -0.0018597520 0.0901020290 >
-0.0032611147
CT 8 -4.8214740072 -0.8802935591 0.2893846652
1.1301383261 1.2194795038 0.6824755225 0.3440774926 >
-0.1791621205 -0.1906110438 0.2802223084 -0.1415745910 >
-0.1731787060
CT 9 -1.0188466743 3.5332923645 0.0096941452
1.2380232103 1.6070967765 0.8591403451 -0.2841475492 >
-0.0015134686 -0.0007204608 -0.2896698304 -0.0014096751 >
-0.0021609261
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
1.2657315478 1.2411279034 1.0479423238 -0.0911664371 >
0.1285182924 -0.1345125667 -0.1128045073 0.1378837061 >
-0.1121718145
CT 11 2.5609598955 -3.5281323847 0.0054799658
1.1668079695 1.6328955110 0.8935490462 -0.2799532518 >
0.0003374397 -0.0021106005 -0.2848693545 -0.0006671480 >
-0.0008399851
CT 12 3.0136715786 3.3952206006 0.0021029977
1.2659950655 1.5498989650 0.8976023941 0.3579433897 >
-0.0004594002 0.0001892223 0.3449932487 -0.0012505697 >
-0.0005948771
CT 13 -0.6599467839 -1.3770403013 0.4810549019
1.3591748175 1.2835355339 1.2166423539 -0.0055101054 >
-0.1173796927 0.1295289259 -0.0501428330 -0.1363834473 >
0.1144531670
CT 14 4.8654494176 -0.2289639542 -0.0023021303
1.8058411696 1.0403227721 0.8651524861 -0.0533951993 >
-0.0004370312 0.0000145725 -0.0551246154 -0.0015298518 >
0.0000729977
CT 15 -4.1692662706 0.0539276428 -0.6233793372
1.4296199654 0.9614877257 1.6453626335 -0.0149069550 >
0.1168303445 0.0083288484 -0.0028132090 0.0974176211 >
0.0070074336
CT 16 -0.9533009134 -2.8165903492 0.0038480732
1.1735328690 1.3514712818 0.7705461281 0.1403937313 >
0.0000601731 0.0030179326 0.1493934233 -0.0002842395 >
0.0047671882
CT 17 0.6846699422 2.0753777109 0.5604327817
1.5861142819 1.4337584637 1.4279563429 -0.0374481985 >
0.1033599748 0.0883538376 0.0291786477 0.1206157243 >
0.1066511183
CT 18 2.7067184869 -0.8087366532 0.5458626809
1.6198443403 1.5138813859 1.4411772736 0.0109755965 >
-0.0001526273 -0.1453232914 -0.0077607981 0.0242798972 >
-0.1901817225
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 2.307592I A.U.
0.5690227227 0.2845067751 0.2109642386 -0.0318170215 >
-0.0028969026 0.0002637892 -0.0302510833 -0.0040772617 >
0.0011860469
CT 2 -4.7960065111 1.0176902228 0.2576915578
0.4142986269 0.4867533082 0.3028912706 -0.0890304469 >
-0.0441987321 0.0555931497 -0.0834732981 -0.0454062882 >
0.0565729484
CT 3 0.7003102729 2.0890008060 -0.5385522160
0.5365017178 0.4871594639 0.5248362615 -0.0190632997 >
-0.0277051570 -0.0190247538 0.0035791262 -0.0548759168 >
-0.0419942159
CT 4 2.7083151315 -0.8301662445 -0.5420173747
0.5426580795 0.5126419200 0.5290544795 0.0105658136 >
0.0048922967 0.0390455154 0.0085183225 -0.0105601203 >
0.0805818796
CT 5 2.9166811760 1.0766114471 -0.0056321987
0.3982020622 0.5391068938 0.2474904360 -0.0923707707 >
-0.0003753715 -0.0000337796 -0.0926665329 -0.0006106304 >
-0.0004342698
CT 6 -1.0714802488 1.2041959201 0.0033966098
0.4343679374 0.5010302929 0.2446634934 0.1010619762 >
-0.0000208526 -0.0000196898 0.1014617507 0.0005223579 >
-0.0002320563
CT 7 -3.2184075578 0.0564135354 0.1367642943
0.5869494926 0.2980805963 0.2422079781 -0.0052842426 >
0.0344332102 -0.0010855467 -0.0018130312 0.0453871814 >
-0.0011348775
CT 8 -4.8214740072 -0.8802935591 0.2893846652
0.4227811446 0.4803007752 0.3090867854 0.0896411724 >
-0.0480645781 -0.0600504982 0.0857320860 -0.0497082654 >
-0.0607950341
CT 9 -1.0188466743 3.5332923645 0.0096941452
0.4626816806 0.5583884961 0.3637852941 -0.0760086968 >
-0.0003645734 -0.0000439806 -0.0787019553 -0.0003506227 >
-0.0003080965
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
0.4447334794 0.4656297822 0.4370417766 -0.0190546544 >
0.0314647308 -0.0491117550 -0.0388034674 0.0640638756 >
-0.0481181342
CT 11 2.5609598955 -3.5281323847 0.0054799658
0.4419532792 0.5609959930 0.3770984681 -0.0685552391 >
0.0000584249 -0.0005304648 -0.0725299294 -0.0000866610 >
-0.0003499163
CT 12 3.0136715786 3.3952206006 0.0021029977
0.4672112305 0.5416443402 0.3781527390 0.0909952554 >
-0.0001246036 0.0000467387 0.0900972545 -0.0002281325 >
-0.0000495886
CT 13 -0.6599467839 -1.3770403013 0.4810549019
0.4646424003 0.4695596227 0.4949072519 0.0105058440 >
-0.0272858870 0.0475903492 -0.0149088508 -0.0607672914 >
0.0481007912
CT 14 4.8654494176 -0.2289639542 -0.0023021303
0.6058073510 0.4115351263 0.3639553750 -0.0127204832 >
-0.0001195961 -0.0000020305 -0.0119046521 -0.0002656902 >
0.0000154910
CT 15 -4.1692662706 0.0539276428 -0.6233793372
0.4631618511 0.3879113675 0.6304165832 -0.0048487539 >
0.0274624029 0.0028925274 -0.0013615762 0.0250434663 >
0.0024649269
CT 16 -0.9533009134 -2.8165903492 0.0038480732
0.4313555272 0.4951097058 0.3290871458 0.0517929599 >
0.0002443186 0.0007665767 0.0522286174 0.0002857741 >
0.0013051423
CT 17 0.6846699422 2.0753777109 0.5604327817
0.5352330051 0.4954849564 0.5376141123 -0.0200353193 >
0.0287310632 0.0194210200 0.0028616368 0.0542720470 >
0.0404639236
CT 18 2.7067184869 -0.8087366532 0.5458626809
0.5491908681 0.5135840138 0.5403364176 0.0077667876 >
-0.0057269031 -0.0382234138 0.0054889952 0.0077742634 >
-0.0797805803
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W= 5.957643I A.U.
0.1061014738 0.0611646708 0.0516239319 -0.0050052540 >
-0.0004839433 -0.0000135711 -0.0033740957 -0.0007525932 >
0.0002107818
CT 2 -4.7960065111 1.0176902228 0.2576915578
0.0777772021 0.0918390163 0.0643284097 -0.0114966620 >
-0.0061335012 0.0084838045 -0.0120774276 -0.0075839309 >
0.0094495522
CT 3 0.7003102729 2.0890008060 -0.5385522160
0.0936844489 0.0882653872 0.1006903474 -0.0036790614 >
-0.0043393733 -0.0021615855 0.0000181885 -0.0106827817 >
-0.0071746406
CT 4 2.7083151315 -0.8301662445 -0.5420173747
0.0961414078 0.0907898890 0.1012442328 0.0010333566 >
0.0016512778 0.0058159281 0.0010242081 -0.0011529448 >
0.0151002850
CT 5 2.9166811760 1.0766114471 -0.0056321987
0.0770153727 0.0998825920 0.0562651390 -0.0145089316 >
-0.0000447599 -0.0000032392 -0.0145951967 -0.0000807315 >
-0.0000918147
CT 6 -1.0714802488 1.2041959201 0.0033966098
0.0815448529 0.0939748881 0.0565437816 0.0151300360 >
-0.0000059407 0.0000372800 0.0156461373 0.0001946335 >
0.0000283015
CT 7 -3.2184075578 0.0564135354 0.1367642943
0.1046827590 0.0644457976 0.0567937131 -0.0008448428 >
0.0058923846 -0.0001917665 -0.0000989922 0.0098581612 >
-0.0002127504
CT 8 -4.8214740072 -0.8802935591 0.2893846652
0.0788135060 0.0906525493 0.0651776211 0.0114136227 >
-0.0065835046 -0.0091073273 0.0122781286 -0.0081788545 >
-0.0099876806
CT 9 -1.0188466743 3.5332923645 0.0096941452
0.0842704083 0.0963353178 0.0722745359 -0.0102072795 >
-0.0000404262 0.0000064189 -0.0106772510 -0.0000334123 >
-0.0000262930
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
0.0814301524 0.0873030135 0.0898231832 -0.0006014212 >
0.0043451401 -0.0093426920 -0.0051507699 0.0127888273 >
-0.0101791775
CT 11 2.5609598955 -3.5281323847 0.0054799658
0.0812827817 0.0965288747 0.0747975801 -0.0080440849 >
0.0000007202 -0.0000620676 -0.0089137391 -0.0000128345 >
-0.0000451911
CT 12 3.0136715786 3.3952206006 0.0021029977
0.0846414348 0.0941119818 0.0748133218 0.0114738309 >
-0.0000174507 0.0000040257 0.0115465420 -0.0000257362 >
-0.0000028971
CT 13 -0.6599467839 -1.3770403013 0.4810549019
0.0837281197 0.0870640253 0.0995771262 0.0041560159 >
-0.0035882302 0.0091136160 -0.0010565404 -0.0119247608 >
0.0101183587
CT 14 4.8654494176 -0.2289639542 -0.0023021303
0.1021979020 0.0778003110 0.0720211515 -0.0015035693 >
-0.0000170393 -0.0000001620 -0.0013285069 -0.0000284681 >
0.0000025077
CT 15 -4.1692662706 0.0539276428 -0.6233793372
0.0820499305 0.0764900324 0.1214493493 -0.0007194543 >
0.0036152072 0.0005580275 -0.0001657451 0.0032306394 >
0.0004554742
CT 16 -0.9533009134 -2.8165903492 0.0038480732
0.0810659973 0.0927672984 0.0684115753 0.0098978200 >
0.0000681428 0.0001164221 0.0097348112 0.0000986766 >
0.0002125222
CT 17 0.6846699422 2.0753777109 0.5604327817
0.0932150647 0.0893870714 0.1026899925 -0.0038872836 >
0.0045620371 0.0021968083 -0.0001488908 0.0106957889 >
0.0068661428
CT 18 2.7067184869 -0.8087366532 0.5458626809
0.0970184511 0.0907020050 0.1030558734 0.0005731440 >
-0.0017549876 -0.0056931151 0.0005199169 0.0007158304 >
-0.0149666099
CT 1 0.5656988371 -2.1815017619 -0.0120605221 -- FOR W=32.239080I A.U.
0.0038821364 0.0023917228 0.0020859880 -0.0001686697 >
-0.0000171139 -0.0000010760 -0.0000997023 -0.0000275324 >
0.0000075182
CT 2 -4.7960065111 1.0176902228 0.2576915578
0.0028780984 0.0033733597 0.0024663816 -0.0003594632 >
-0.0002002652 0.0002830524 -0.0003906773 -0.0002614789 >
0.0003239328
CT 3 0.7003102729 2.0890008060 -0.5385522160
0.0033534164 0.0032166925 0.0037158859 -0.0001315529 >
-0.0001499494 -0.0000689687 -0.0000036650 -0.0003888838 >
-0.0002543858
CT 4 2.7083151315 -0.8301662445 -0.5420173747
0.0034712040 0.0032727696 0.0037354030 0.0000155814 >
0.0000634258 0.0001976702 0.0000174115 -0.0000356743 >
0.0005439999
CT 5 2.9166811760 1.0766114471 -0.0056321987
0.0028731889 0.0036362187 0.0021962676 -0.0004777693 >
-0.0000013791 -0.0000001402 -0.0004813249 -0.0000026359 >
-0.0000034393
CT 6 -1.0714802488 1.2041959201 0.0033966098
0.0030164410 0.0034411731 0.0022216442 0.0004876679 >
-0.0000004283 0.0000015797 0.0005093505 0.0000072534 >
0.0000013736
CT 7 -3.2184075578 0.0564135354 0.1367642943
0.0037950471 0.0025168609 0.0022628070 -0.0000268075 >
0.0002095375 -0.0000071306 0.0000010537 0.0003706223 >
-0.0000079943
CT 8 -4.8214740072 -0.8802935591 0.2893846652
0.0029107860 0.0033346714 0.0024942549 0.0003564679 >
-0.0002138968 -0.0003037885 0.0003975885 -0.0002805698 >
-0.0003411119
CT 9 -1.0188466743 3.5332923645 0.0096941452
0.0030525793 0.0034239320 0.0026817528 -0.0003235746 >
-0.0000011985 0.0000002076 -0.0003404856 -0.0000008924 >
-0.0000009161
CT 10 -0.7432841278 -1.3308746347 -0.4457104961
0.0030002147 0.0032132694 0.0034122052 0.0000174792 >
0.0001449747 -0.0003420062 -0.0001503897 0.0004710336 >
-0.0003858929
CT 11 2.5609598955 -3.5281323847 0.0054799658
0.0029574680 0.0034349230 0.0027725649 -0.0002392637 >
-0.0000001642 -0.0000018037 -0.0002715402 -0.0000006042 >
-0.0000012571
CT 12 3.0136715786 3.3952206006 0.0021029977
0.0030629506 0.0033546393 0.0027722208 0.0003552110 >
-0.0000005962 0.0000000888 0.0003591243 -0.0000008499 >
-0.0000001170
CT 13 -0.6599467839 -1.3770403013 0.4810549019
0.0030637486 0.0031922113 0.0037483061 0.0001794864 >
-0.0001178812 0.0003342058 -0.0000092027 -0.0004379430 >
0.0003833049
CT 14 4.8654494176 -0.2289639542 -0.0023021303
0.0036065181 0.0028531266 0.0026703396 -0.0000450388 >
-0.0000005826 0.0000000257 -0.0000391859 -0.0000009291 >
0.0000001157
CT 15 -4.1692662706 0.0539276428 -0.6233793372
0.0029992207 0.0028697127 0.0045224071 -0.0000235616 >
0.0001211025 0.0000209460 -0.0000044204 0.0001038620 >
0.0000169554
CT 16 -0.9533009134 -2.8165903492 0.0038480732
0.0030428546 0.0034695512 0.0026429998 0.0003651945 >
0.0000026593 0.0000041838 0.0003580143 0.0000040001 >
0.0000077102
CT 17 0.6846699422 2.0753777109 0.5604327817
0.0033343033 0.0032517715 0.0037827635 -0.0001389709 >
0.0001582823 0.0000698110 -0.0000096860 0.0003903217 >
0.0002428883
CT 18 2.7067184869 -0.8087366532 0.5458626809
0.0034985224 0.0032667097 0.0037976207 0.0000002151 >
-0.0000667155 -0.0001934032 0.0000004437 0.0000204477 >
-0.0005392267
STOP
PROJECTION BASIS SET
A01N -0.5625950762 -2.2117016817 0.0032386370 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
A02C -1.7244330393 0.0491566681 0.0089259929 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
A03C -0.3320522626 2.3177407006 0.0069924298 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
A04C 2.2756380757 2.2227139216 0.0010341649 4.0
S 6
49 4563.2400000000 0.77820176
50 682.0240000000 1.44869481
51 154.9730000000 2.38308933
52 44.4553000000 3.20008901
53 13.0290000000 3.01300444
54 1.8277300000 0.24759863
L 3
55 20.9642000000 0.80062852 2.57359222
56 4.8033100000 2.12741989 2.40824822
57 1.4593300000 -0.00286791 1.86528133
L 1
58 0.4834560000 0.41321665 0.57462733
L 1
59 0.1455850000 0.16797613 0.12818461
L 1
60 0.0438000000 0.06823633 0.02856161
D 1
61 2.5040000000 8.20388425
D 1
62 0.6260000000 0.72512777
D 1
63 0.1565000000 0.06409285
F 1
64 0.8000000000 0.89105994
A05C 3.4821660785 -0.1244037156 -0.0024180839 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
A06C 1.9750556783 -2.2614572401 0.0010070990 4.0
S 6
81 4563.2400000000 0.77820176
82 682.0240000000 1.44869481
83 154.9730000000 2.38308933
84 44.4553000000 3.20008901
85 13.0290000000 3.01300444
86 1.8277300000 0.24759863
L 3
87 20.9642000000 0.80062852 2.57359222
88 4.8033100000 2.12741989 2.40824822
89 1.4593300000 -0.00286791 1.86528133
L 1
90 0.4834560000 0.41321665 0.57462733
L 1
91 0.1455850000 0.16797613 0.12818461
L 1
92 0.0438000000 0.06823633 0.02856161
D 1
93 2.5040000000 8.20388425
D 1
94 0.6260000000 0.72512777
D 1
95 0.1565000000 0.06409285
F 1
96 0.8000000000 0.89105994
A07H -1.3173889549 4.1080883598 0.0071393141 1.0
S 3
97 33.8650000000 0.25506932
98 5.0947900000 0.46010866
99 1.1587900000 0.67832145
S 1
100 0.3258400000 0.30737135
S 1
101 0.1027410000 0.12933556
S 1
102 0.0360000000 0.05890294
P 1
103 1.5000000000 2.36621477
P 1
104 0.3750000000 0.41829163
A08H 3.3603538856 3.9547491827 0.0026966018 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
A09H 5.5149338303 -0.2889935211 -0.0017171176 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
A10H 2.8231573055 -4.1255998536 0.0086748915 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
A11N -4.3030404998 0.0521514672 -0.0824871866 5.0
S 6
129 6293.4800000000 0.99196821
130 949.0440000000 1.82323973
131 218.7760000000 2.97989064
132 63.6916000000 4.00000703
133 18.8282000000 3.88100769
134 2.7202300000 0.38676433
L 3
135 30.6331000000 1.03850116 3.93561562
136 7.0261400000 2.83479441 3.87099402
137 2.1120500000 -0.00320800 2.96727076
L 1
138 0.6840090000 0.53605142 0.88668091
L 1
139 0.2008780000 0.21385006 0.19169269
L 1
140 0.0639000000 0.09058071 0.04579480
D 1
141 3.6520000000 15.87955404
D 1
142 0.9130000000 1.40356754
D 1
143 0.2282500000 0.12405902
F 1
144 1.0000000000 1.47215809
A12H -5.1542321139 1.6736151332 0.4185692697 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
A13H -5.2096173979 -1.5559983563 0.4806926598 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 18 375
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18 6-2.51108383E-04 4.51716019E-03 8.05313413E-03-2.33199934E-03-3.53106991E-03
18 7 3.44495026E-03 3.27345859E-03 6.52530616E-03 1.51285014E-02-2.68695214E-03
18 8-3.39353963E-03-1.48770246E-03-7.14700690E-04 1.72699554E-03 2.19603786E-03
18 9 8.89502615E-04-9.76439703E-04-1.95396384E-04-5.06574988E-04 6.74041953E-04
18 10 2.48723242E-03 4.08923507E-03-4.76643974E-03 4.26111760E-03-3.82382302E-02
18 11-1.22959141E-02-6.41767841E-03 5.91648166E-03-5.83590370E-02 2.44293691E-02
18 12 3.32256169E-02 6.37786984E-02-6.20078962E-02-9.08462177E-02-9.29543555E-03
18 13-3.44664009E-02-1.91332454E-02-9.40027924E-05-9.78794435E-05-5.44305084E-05
18 14 1.15023988E-04-2.57168247E-04-3.43129301E-04-9.45118169E-04 6.12667473E-04
18 15-5.56326410E-04 9.91082827E-04-2.80734297E-03-3.13048183E-03-2.31609072E-02
18 16 1.47704853E-02 1.01141760E-03 2.50212208E-02-1.89018380E-02-2.49681133E-03
18 17-1.01420508E-04-1.19008440E-04-1.33957053E-03 5.08613703E-04-5.47992330E-04
18 18-2.84159941E-04-2.20688851E-03-2.24842933E-04 1.32318577E-04-3.81839329E-04
18 19 1.42741497E-03 2.43258880E-03-3.85776111E-03 8.21466763E-04-2.49808796E-02
18 20-5.97299159E-03-3.04507470E-03 6.74102186E-04-3.76306572E-02 1.23839840E-01
18 21 1.48640052E-01 4.17331738E-02-3.84772279E-02 1.63128465E-01-3.21465516E-03
18 22-1.24318060E-02-1.94030563E-02-9.95986146E-05 1.27370194E-06-9.18342191E-06
18 23 1.75411187E-05 1.02530892E-03 3.71960385E-04 3.04092584E-03-4.04927945E-04
18 24-6.62330728E-04-7.22765441E-04 7.99832284E-03 3.07242452E-03 4.24155890E-02
18 25-1.42604901E-02-3.97711562E-03-1.34091269E-02 1.50213460E-02 2.60235224E-03
18 26 1.31174791E-03 5.07998736E-04-1.36840900E-03-1.09772779E-04 3.03348235E-04
18 27-2.19079355E-04-1.89997813E-03-1.11198678E-04 1.85836309E-04-9.29413567E-04
18 28 8.25143125E-04 2.26892416E-03-3.64075054E-03 2.68339009E-03 5.55232226E-02
18 29-1.00279112E-02-4.77717421E-03 7.06582689E-03 8.76644960E-02-7.04771481E-02
18 30 1.80410433E-01-5.90438970E-02 5.61804875E-02-1.51792032E-01 2.45492682E-02
18 31 3.44637121E-02 5.56319413E-03-2.22242636E-04 1.15687294E-03 1.68999919E-04
18 32 3.41331030E-04 1.15322056E-03-1.59722578E-03-8.22286115E-03 7.16887072E-03
18 33 3.38050719E-04 4.22592694E-03 9.44993600E-03-1.38909576E-02-3.57774795E-02
18 34 2.32235772E-02 5.43098597E-03-1.25231572E-02 1.78510949E-02-1.06883174E-02
18 35 1.68143859E-03-2.26551604E-03 3.54248931E-04 1.87208493E-03 1.01541540E-03
18 36-1.79789577E-03 4.71900686E-03 1.60449097E-04-2.37363961E-05-1.43067157E-03
18 37-4.52828145E-02-7.86598682E-02-6.32735200E-02-8.86134821E-02 1.25591036E-01
18 38 1.89387269E-01-8.49928778E-02-1.18695874E-01 1.94555818E-01 4.88368649E-02
18 39-6.18053761E-02-1.84215437E-01 1.82907470E-01 1.58254157E-01-4.27816842E-02
18 40-2.12390721E-03 3.03781524E-02-3.70999941E-03-1.82038170E-03-4.69245543E-03
18 41 3.13942060E-03-1.13621779E-03-4.01031103E-04-7.81176055E-03 1.26838478E-03
18 42-1.58827733E-02 1.42234646E-02-1.10883244E-02-3.19943168E-03 3.85292777E-03
18 43-4.58502669E-02-1.80804912E-02 4.06096114E-02-1.18230107E-02-1.16010780E-03
18 44-9.82757209E-04-3.81237922E-03 1.89016472E-03-4.50358317E-03 5.58705888E-03
18 45-6.34461151E-03 6.63455473E-03 2.97240844E-04 8.24762854E-04 6.72306740E-04
18 46-4.54513044E-02-7.90960830E-02 6.43487072E-02 9.30352454E-02 9.17768626E-02
18 47 1.94630277E-01 8.69045337E-02 1.26729681E-01 1.42381210E-01 6.76481589E-02
18 48 2.12440825E-02 2.44719530E-02 1.13483031E-01-9.27632774E-02 4.19430954E-03
18 49 1.00358394E-03 1.76980677E-02-4.09095945E-03-1.55979773E-03-4.43687603E-03
18 50 3.22732872E-03 8.94220778E-04 1.53931602E-03-5.41698840E-03 1.03935776E-03
18 51-1.59789007E-02 1.58944510E-02 8.13730800E-03 1.35676162E-02-4.61381558E-03
18 52-2.94409908E-02-2.68573976E-02 1.01630026E-02 1.98461936E-02 1.08804276E-02
18 53-2.42000852E-03 4.79730266E-03 1.06978629E-03 3.25981611E-03 3.85042091E-03
18 54 6.59664431E-03 5.10573491E-03-4.43151768E-04-5.32453350E-04 1.85830110E-03
18 55 1.40825585E-04-3.30254428E-03-9.57490023E-03-1.25167596E-02-1.23534835E-04
18 56 7.57040585E-06-9.63235277E-04-1.16601487E-04 1.06369739E-03-2.55485109E-03
18 57 5.64170469E-03 1.15432523E-02 4.71337770E-03-6.44415209E-03-3.93082937E-04
18 58 1.60277090E-04 1.40325225E-03-8.18368675E-04 8.90842062E-04 4.27702293E-03
18 59-7.64276267E-03-2.71884401E-02-1.02042717E-02 2.38726100E-03 6.59215733E-05
18 60-1.67339631E-03 3.39038023E-03-1.19687622E-03-5.11216538E-03 1.24562560E-02
18 61-9.47988898E-03-3.01855545E-02-1.00366237E-02 6.57107472E-03 1.69795471E-03
18 62 5.42113044E-04 2.47738174E-03 2.61578827E-03 2.34811924E-04 7.04892331E-03
18 63 9.98439093E-04 1.90803537E-03 1.87148168E-03 7.84668498E-04 9.79660423E-03
18 64-4.61774707E-03 2.71363899E-03 1.18788243E-03 1.49233206E-02 1.20810860E-02
18 65 1.83800123E-02 3.70359058E-03 1.58969699E-02 2.29465291E-02 1.37384403E-02
18 66-1.34286534E-03 2.63367797E-02 1.07269939E-04 1.53222284E-04 7.47078246E-05
18 67 1.52313711E-05-3.46361752E-04-1.02721797E-05 5.19470815E-04 4.72401122E-04
18 68 3.24293239E-04 1.46561449E-04-2.92834716E-03-1.08956218E-04 5.33063718E-03
18 69 5.60853652E-05 4.04613050E-03 8.12016649E-04-5.84963123E-03-1.26166090E-04
18 70 4.08286307E-04 8.64676564E-06 5.38035840E-04 1.37864098E-05-4.18013949E-04
18 71 2.34190372E-04 4.56784171E-04-3.41289222E-04-2.15525736E-05-6.38598934E-05
18 72 2.16985611E-03 9.11584219E-03 4.75661994E-03 7.75629733E-03 3.65970845E-05
18 73-1.20436129E-04 3.70019374E-04 1.42303342E-03-1.18866845E-03 1.30517989E-03
18 74 2.37776214E-03 8.30983780E-03 2.93003321E-03-2.43381802E-04 2.09204650E-05
18 75 1.35083299E-04 4.88794843E-04 1.12983875E-03 5.11339809E-04 9.05302020E-04
FOCK MATRIX ELEMENTS
-0.8925896778 0.0147584084 -0.8274973139 -0.0045477980 >
-0.0089168546 -0.6294661972 -0.0765718936 0.0035277225 >
-0.0464643305 -0.6183014325 -0.0154199411 0.0002740493 >
-0.0826553091 -0.0848159423 -0.7885615029 -0.0192561824 >
0.0268711304 -0.0817757384 -0.0016504011 -0.0170421855 >
-0.8075581008 -0.0400189716 -0.1384748176 -0.0187151564 >
0.0012217487 -0.0016955559 0.1008163149 -0.8921826082 >
-0.0087968020 -0.1417212663 0.0000049858 0.0042457738 >
0.0006714054 -0.0361527426 -0.1351171756 -0.8171661103 >
-0.0029370747 -0.0111894294 0.0771229934 -0.0035457968 >
-0.0356235785 0.1029706829 -0.0206654272 0.0082372709 >
-0.6919048283 -0.1192237351 -0.0311324848 -0.0356284335 >
-0.0484398101 -0.0023696197 -0.0775015766 0.0633794426 >
0.0081039154 -0.0184012963 -0.7289827110 -0.0994296058 >
-0.0026566235 0.0041440597 -0.0799468028 0.0372050298 >
-0.0003883011 0.0059507387 0.0004068308 0.0003245386 >
0.0261286095 -0.6923780126 0.0029268833 0.0007724299 >
-0.0775251428 0.0178883668 -0.1027596451 0.0368392271 >
0.0067340985 -0.0030524566 0.0276552984 0.0036774750 >
-0.0083609605 -0.7019201173 -0.1187176496 -0.0113122276 >
0.0097669229 0.0160814212 -0.0017724088 -0.0712152963 >
0.0712306261 0.0251160625 -0.0162104025 -0.2532492900 >
0.0196253298 0.0038770896 -0.6816128803 0.0312158233 >
0.0001904617 0.0198152264 -0.0780367914 -0.0981447218 >
0.0014481766 -0.0000635291 -0.0003827552 0.0085674456 >
0.0028002253 -0.0258867839 -0.0290073964 0.0031016139 >
-0.6844627288 -0.0055018529 -0.1099347892 0.0280518511 >
-0.0175761603 -0.0000906447 0.0196609726 -0.1613846749 >
-0.1075070407 -0.0037777857 0.0559417206 0.0004567070 >
0.0004527682 -0.0319534168 -0.0000427199 -0.5462895645 >
-0.1536985577 -0.0122790887 0.0078074559 0.0301568440 >
0.0043382186 0.0514552369 0.0381392008 0.0118654649 >
0.0142305815 -0.1251521979 -0.0508166985 -0.0030550749 >
-0.1165258043 -0.0124335533 0.0074871005 -0.5641141532 >
-0.0025431529 0.0033038110 -0.2220783251 0.0120991441 >
-0.0813991822 -0.0833146159 -0.0065298845 0.0120014846 >
0.0760172062 0.0044504661 0.0046887906 -0.0759723245 >
-0.0385513339 0.0190031880 -0.0312156361 0.0079669165 >
-0.6205843911 0.0751763606 0.0035438277 -0.0105640380 >
0.2255231758 0.0859438264 0.0003686479 0.0057512686 >
0.0033926143 0.0036738609 -0.0146668213 0.0789638048 >
-0.0166398524 0.0523086346 0.0771303695 -0.0175148366 >
-0.0298750366 0.0479302454 -0.6109084754
LMO CENTROIDS
CT1 0.5656988371 -2.1815017619 -0.0120605221
CT2 -4.7960065111 1.0176902228 0.2576915578
CT3 0.7003102729 2.0890008060 -0.5385522160
CT4 2.7083151315 -0.8301662445 -0.5420173747
CT5 2.9166811760 1.0766114471 -0.0056321987
CT6 -1.0714802488 1.2041959201 0.0033966098
CT7 -3.2184075578 0.0564135354 0.1367642943
CT8 -4.8214740072 -0.8802935591 0.2893846652
CT9 -1.0188466743 3.5332923645 0.0096941452
CT10 -0.7432841278 -1.3308746347 -0.4457104961
CT11 2.5609598955 -3.5281323847 0.0054799658
CT12 3.0136715786 3.3952206006 0.0021029977
CT13 -0.6599467839 -1.3770403013 0.4810549019
CT14 4.8654494176 -0.2289639542 -0.0023021303
CT15 -4.1692662706 0.0539276428 -0.6233793372
CT16 -0.9533009134 -2.8165903492 0.0038480732
CT17 0.6846699422 2.0753777109 0.5604327817
CT18 2.7067184869 -0.8087366532 0.5458626809
STOP
SCREEN2 (FROM VDWSCL= 0.700)
A01N 1.000000000 1.754620683
A02C 1.000000000 2.148133006
A03C 1.000000000 1.597638112
A04C 1.000000000 1.926572307
A05C 1.000000000 1.580674137
A06C 1.000000000 1.941430549
A07H 1.000000000 1.956159967
A08H 1.000000000 1.818869328
A09H 1.000000000 2.009405704
A10H 1.000000000 1.836243484
A11N 1.000000000 1.770950124
A12H 1.000000000 2.482380788
A13H 1.000000000 2.642089294
BO21 1.000000000 10.000000000
BO32 1.000000000 10.000000000
BO43 1.000000000 10.000000000
BO54 1.000000000 10.000000000
BO61 1.000000000 10.000000000
BO65 1.000000000 10.000000000
BO73 1.000000000 10.000000000
BO84 1.000000000 1.842480095
BO95 1.000000000 10.000000000
BO106 1.000000000 1.813612693
BO112 1.000000000 10.000000000
BO1211 1.000000000 10.000000000
BO1311 1.000000000 10.000000000
STOP
$END
|