BSE-PES/Data/scan_N2_VQZ_FC_CC3.dat
2020-01-30 22:41:00 +01:00

23 lines
17 KiB
Plaintext

1.00 -104.9098651159 -104.3666447594 -104.3411829385 -104.2458809390 -104.4321242377 -104.3556426713 -104.2592392293 -104.3874048339 -104.3048331540 -103.9363775926 -104.4062193762 -104.3455685455 -104.0122157156 -104.3874048340 -104.3048331540 -103.9363775926 -104.4062193762 -104.3455685455 -104.0122157156 -103.9888034992 -103.8693475879 -103.8651704422 -103.9935022728 -103.8756710965 -103.8646410278 -104.3859397948 -104.3528407422 -104.2471594656 -104.4296881585 -104.3534916132 -104.2570891526 -104.3923101851 -104.3271544821 -103.9843331081 -104.4011276559 -104.3434071965 -104.0184846888 -104.3923101851 -104.3271544821 -103.9843331081 -104.4011276559 -104.3434071965 -104.0184846887 -103.9776113475 -103.8157466973 -103.8114609039 -103.9909550067 -103.8229356568 -103.8143503440
1.10 -106.3134525628 -105.7245177491 -105.7047574455 -105.6024009857 -105.7908487843 -105.7185352406 -105.6154288853 -105.7280725643 -105.6998660288 -105.3598919175 -105.7719937099 -105.7238902825 -105.4246251691 -105.7280725644 -105.6998660288 -105.3598919175 -105.7719937099 -105.7238902825 -105.4246251691 -105.3489793188 -105.3435737494 -105.3336578647 -105.3611146095 -105.3425445853 -105.3380970431 -105.7575510663 -105.7074190593 -105.6326393422 -105.7998454226 -105.7117782120 -105.6421451513 -105.7664037717 -105.6897733476 -105.3595036627 -105.7738115687 -105.7160447904 -105.3948290026 -105.7664037717 -105.6897733476 -105.3595036626 -105.7738115687 -105.7160447904 -105.3948290026 -105.3642706103 -105.3221309540 -105.3190185006 -105.3825197966 -105.3295819500 -105.3218840613
1.20 -107.3126562212 -106.7037749886 -106.6786948101 -106.5858655052 -106.7671709304 -106.6956647523 -106.5986391083 -106.7042894724 -106.6905740275 -106.4086509556 -106.7692732309 -106.7024544508 -106.4341431764 -106.7042894724 -106.6905740275 -106.4086509556 -106.7692732309 -106.7024544508 -106.4341431764 -106.4040707314 -106.4000200365 -106.3146245658 -106.4126694601 -106.3988453281 -106.3253594640 -106.7322754587 -106.6864904726 -106.6148602442 -106.7747846859 -106.6917447867 -106.6233898955 -106.7388405642 -106.6853822877 -106.3770445668 -106.7507981803 -106.7148605655 -106.4020205343 -106.7388405642 -106.6853822877 -106.3770445668 -106.7507981803 -106.7148605655 -106.4020205343 -106.4102074682 -106.4086417144 -106.3456803476 -106.4334715046 -106.4119446216 -106.3544889389
1.30 -108.0175499853 -107.3909494848 -107.3767324675 -107.2880301138 -107.4575982610 -107.3904293725 -107.3000321294 -107.4061502519 -107.3883187518 -107.1640697404 -107.4813082170 -107.3983929788 -107.1746733857 -107.4061502519 -107.3883187518 -107.1640697404 -107.4813082170 -107.3983929788 -107.1746733857 -107.1547192002 -107.1508083436 -107.0172416199 -107.1630494103 -107.1495852067 -107.0282128878 -107.4187860389 -107.3834651842 -107.3048539062 -107.4614629964 -107.3878531325 -107.3126860016 -107.4285175870 -107.3967273174 -107.1328283568 -107.4631262442 -107.4099638980 -107.1417577773 -107.4285175870 -107.3967273174 -107.1328283568 -107.4631262442 -107.4099638980 -107.1417577773 -107.1959804560 -107.1952060899 -107.0338194368 -107.2221922210 -107.1998007232 -107.0459868503
1.40 -108.5100505866 -107.8724170088 -107.8664981057 -107.7825492004 -107.9421130004 -107.8769618620 -107.7930258961 -107.9045273263 -107.8770614578 -107.7009866853 -107.9862325605 -107.8874284516 -107.7105512114 -107.9045273263 -107.8770614578 -107.7009866853 -107.9862325605 -107.8874284516 -107.7105512114 -107.6851638001 -107.6812818876 -107.5157331319 -107.6933723977 -107.6800693854 -107.5239239034 -107.9004381926 -107.8716137309 -107.7829315795 -107.9415445804 -107.8754290152 -107.8248471852 -107.9391489129 -107.8747200131 -107.6698872548 -107.9855678607 -107.8809976797 -107.6768437434 -107.9391489129 -107.8747200131 -107.6698872548 -107.9855678607 -107.8809976797 -107.6768437434 -107.7651054461 -107.7618597968 -107.5106349817 -107.7938786542 -107.7694397625 -107.5258483321
1.50 -108.8496890654 -108.2174155035 -108.1933188724 -108.1253362611 -108.2794419502 -108.2109975822 -108.1336742025 -108.2555478790 -108.2150728901 -108.0800113268 -108.3416037532 -108.2258608889 -108.0895800633 -108.2555478790 -108.2150728901 -108.0800113268 -108.3416037532 -108.2258608889 -108.0895800633 -108.0569623743 -108.0530339821 -107.8693029791 -108.0650196523 -108.0518690754 -107.8685730739 -108.2371923092 -108.2064541928 -108.1082996165 -108.2762496459 -108.2384733436 -108.2097078405 -108.3109103439 -108.1932987934 -108.0477470954 -108.3610439059 -108.1992146102 -108.0540365871 -108.3109103439 -108.1932987934 -108.0477470954 -108.3610439059 -108.1992146102 -108.0540365871 -108.1760991153 -108.1704447735 -107.8368759688 -108.2071371354 -108.1809142053 -107.8616254364
1.60 -109.0793700567 -108.4550045243 -108.4122260643 -108.3574591703 -108.5109515950 -108.4348244860 -108.3635815908 -108.5002268595 -108.4441907766 -108.3448141763 -108.5886373225 -108.4553293196 -108.3545852918 -108.5002268595 -108.4441907766 -108.3448141763 -108.5886373225 -108.4553293196 -108.3545852918 -108.3143534337 -108.3103214913 -108.1319874993 -108.3221940728 -108.3092347769 -108.1035630514 -108.4690883581 -108.4639965523 -108.4324361220 -108.5451798891 -108.5046901201 -108.4946009953 -108.5762874921 -108.4026348937 -108.3105838423 -108.6279063900 -108.4093059880 -108.3163799166 -108.5762874921 -108.4026348937 -108.3105838423 -108.6279063900 -108.4093059880 -108.3163799166 -108.4718552998 -108.4639963166 -108.0998391377 -108.5046817608 -108.4771162776 -108.1205609805
1.70 -109.2300206759 -108.6143826320 -108.5555226585 -108.5087295657 -108.6657432572 -108.5800716893 -108.5149146949 -108.6679689286 -108.5948088848 -108.5268593044 -108.7569528161 -108.6064128275 -108.5367042343 -108.6679689286 -108.5948088848 -108.5268593044 -108.7569528161 -108.6064128275 -108.5367042343 -108.4892184698 -108.4850200776 -108.3331250158 -108.4967472414 -108.4840405217 -108.3503134608 -108.6734104749 -108.6244672633 -108.5837787345 -108.7576245422 -108.7173900559 -108.6459139639 -108.7632110227 -108.5344610326 -108.4903389064 -108.8150489573 -108.5428391764 -108.4953312380 -108.7632110227 -108.5344610326 -108.4903389064 -108.8150489573 -108.5428391764 -108.4953312380 -108.6832046074 -108.6734100953 -108.2921732931 -108.7174054243 -108.6888916106 -108.3153125727
1.80 -109.3240006211 -108.7172493506 -108.6462553892 -108.6011841271 -108.7648552213 -108.6697720410 -108.6233718359 -108.7799887992 -108.6890730584 -108.6489188292 -108.8679910982 -108.7018259232 -108.6581413487 -108.7799887992 -108.6890730584 -108.6489188292 -108.8679910982 -108.7018259232 -108.6581413487 -108.6046420269 -108.6002003507 -108.4810461321 -108.6117357554 -108.5993731546 -108.5022625637 -108.8210472414 -108.7253065357 -108.6859574016 -108.9086943060 -108.8677250886 -108.7410554574 -108.8924634414 -108.6112716853 -108.6102398129 -108.9437397312 -108.6266475648 -108.6097839631 -108.8924634414 -108.6112716853 -108.6102398129 -108.9437397312 -108.6266475648 -108.6097839631 -108.8325126685 -108.8210466433 -108.4226113059 -108.8677373925 -108.8386101176 -108.4533139650
1.90 -109.3775429560 -108.7795024231 -108.7004103493 -108.6522260345 -108.8237652694 -108.7204684898 -108.6945936776 -108.8517781098 -108.7433448871 -108.7273957659 -108.9374056762 -108.7597600070 -108.7336430379 -108.8517781098 -108.7433448871 -108.7273957659 -108.9374056762 -108.7597600070 -108.7336430379 -108.6774948150 -108.6726990049 -108.5872524622 -108.6840055267 -108.6721011145 -108.6106765084 -108.9232459838 -108.7898395735 -108.7547729834 -109.0138865507 -108.9721443139 -108.7967687288 -108.9793684223 -108.6873343859 -108.6493838962 -109.0296324411 -108.6961934861 -108.6579144496 -108.9793684223 -108.6873343859 -108.6493838962 -109.0296324411 -108.6961934861 -108.6579144496 -108.9361409727 -108.9232452671 -108.5090030526 -108.9721555727 -108.9426462822 -108.5477922448
2.00 -109.4024762831 -108.8128435266 -108.7295057194 -108.7202717951 -108.8539231334 -108.7445351961 -108.7349296315 -108.8947996548 -108.7765403644 -108.7674410188 -108.9767102082 -108.7968307956 -108.7711353527 -108.8947996548 -108.7765403644 -108.7674410188 -108.9767102082 -108.7968307956 -108.7711353527 -108.7202752799 -108.7149305672 -108.6621338537 -108.7261060004 -108.7147953457 -108.6868736070 -108.9920342419 -108.8345205398 -108.7945865793 -109.0852784077 -109.0427901856 -108.8248758982 -109.0352744943 -108.7341208137 -108.6610074970 -109.0843005744 -108.7427663926 -108.6735799202 -109.0352744943 -108.7341208137 -108.6610074970 -109.0843005744 -108.7427663926 -108.6735799202 -109.0061515923 -108.9920334004 -108.5631385081 -109.0428005330 -109.0130674073 -108.6097144937
2.10 -109.4074437224 -108.8260298095 -108.7597082321 -108.7425649192 -108.8638303691 -108.7574406536 -108.7461855939 -108.9176804179 -108.8012427915 -108.7743595893 -108.9944158219 -108.8192993569 -108.7879456973 -108.9176804179 -108.8012427915 -108.7743595893 -108.9944158219 -108.8192993569 -108.7879456973 -108.7425684762 -108.7362494791 -108.7138341920 -108.7552884623 -108.7408099350 -108.7402088324 -109.0363246239 -108.8684158861 -108.8101214718 -109.1319006385 -109.0886665798 -108.8342186547 -109.0686261858 -108.7599325126 -108.6563857467 -109.1163345985 -108.7694874133 -108.6738464323 -109.0686261858 -108.7599325126 -108.6563857467 -109.1163345985 -108.7694874133 -108.6738464323 -109.0514910096 -109.0363237560 -108.5942940346 -109.0886759098 -109.0588209307 -108.6474728504
2.20 -109.3987696396 -108.8292360052 -108.8165244612 -108.7537464679 -108.8598046362 -108.7622548409 -108.7382706090 -108.9270608353 -108.8109245725 -108.7690920972 -108.9968692941 -108.8283502771 -108.8259148865 -108.9270608353 -108.8109245725 -108.7690920972 -108.9968692941 -108.8283502771 -108.8259148865 -108.7537471068 -108.7473663992 -108.7441902409 -108.8177378358 -108.7786593407 -108.7635355565 -109.0627566763 -108.8935856883 -108.8101679561 -109.1604924697 -109.1164747942 -108.8318258086 -109.0857351530 -108.7719916916 -108.6478343353 -109.1321363993 -108.7835144564 -108.6790387318 -109.0857351530 -108.7719916916 -108.6478343353 -109.1321363993 -108.7835144564 -108.6790387318 -109.0788274257 -109.0627556609 -108.6093258927 -109.1164744354 -109.0865720427 -108.6674448365
2.30 -109.3810795838 -108.8701468082 -108.8136910284 -108.7736342554 -108.8465400273 -108.7586936787 -108.7217746799 -108.9281899283 -108.8099817438 -108.7792851524 -108.9888532087 -108.8614066300 -108.8272320056 -108.9281899283 -108.8099817438 -108.7792851524 -108.9888532087 -108.8614066300 -108.8272320056 -108.7736340723 -108.7568856941 -108.7464259164 -108.8667190199 -108.8182257551 -108.7914757983 -109.0762957517 -108.9119830113 -108.8012630195 -109.1760922976 -109.1312334602 -108.8238861308 -109.0913305950 -108.7763143937 -108.6524876089 -109.1364889718 -108.7914317898 -108.6964177869 -109.0913305950 -108.7763143937 -108.6524876089 -109.1364889718 -108.7914317898 -108.6964177869 -109.0931499909 -109.0762945162 -108.6132798510 -109.1312335464 -109.1013022535 -108.6744681553
2.40 -109.3577473221 -108.9053196584 -108.7990367637 -108.7907522008 -108.9026254893 -108.8275053683 -108.7545920693 -108.9252141483 -108.8020287206 -108.7957009029 -108.9740772728 -108.8864811815 -108.8361755831 -108.9252141483 -108.8020287206 -108.7957009029 -108.9740772728 -108.8864811815 -108.8361755831 -108.8382691599 -108.7907545482 -108.7721092931 -108.9026257354 -108.8523090028 -108.8056366590 -109.0806658835 -108.9255887021 -108.7878012751 -109.1824696688 -109.1366882395 -108.8169516434 -109.0889609057 -108.7784462199 -108.6649765245 -109.1329693518 -108.7994509031 -108.7057150537 -109.0889609057 -108.7784462199 -108.6649765245 -109.1329693518 -108.7994509031 -108.7057150537 -109.0981983212 -109.0806673866 -108.6098562115 -109.1366888831 -109.1067420442 -108.6722180131
2.50 -109.3312190390 -108.9308517165 -108.8069954574 -108.7934157827 -108.9284802401 -108.8052584978 -108.7654896389 -108.9210525295 -108.8025669957 -108.7900911303 -108.9556628948 -108.9033444830 -108.8524402126 -108.9210525295 -108.8025669957 -108.7900911303 -108.9556628948 -108.9033444830 -108.8524402126 -108.8644006802 -108.8069977533 -108.7934215102 -108.9284798568 -108.8775957559 -108.8130730517 -109.0786640796 -108.9358674569 -108.7729531319 -109.1824420121 -109.1356449299 -108.8177219009 -109.0812872393 -108.7834890802 -108.6720294271 -109.1242497290 -108.8120184448 -108.7078128535 -109.0812872393 -108.7834890802 -108.6720294271 -109.1242497290 -108.8120184448 -108.7078128535 -109.0967831349 -109.0786659967 -108.6017502331 -109.1356459230 -109.1056855403 -108.6635194840
2.60 -109.3032513289 -108.9489091167 -108.8227712884 -108.8088659364 -108.9466756854 -108.7825950283 -108.7813544067 -108.9171076238 -108.8042174983 -108.7798796759 -108.9369356420 -108.9137281746 -108.8601116617 -108.9171076238 -108.8042174983 -108.7798796759 -108.9369356420 -108.9137281746 -108.8601116617 -108.8827571675 -108.8227729594 -108.8088690641 -108.9466773178 -108.8956063289 -108.8169129912 -109.0723906221 -108.9438370498 -108.7590805063 -109.1781074070 -109.1301984828 -108.8281187708 -109.0703017529 -108.7942211782 -108.6742649919 -109.1123198897 -108.8291448175 -108.7047490933 -109.0703017529 -108.7942211782 -108.6742649919 -109.1123198897 -108.8291448175 -108.7047490933 -109.0910141944 -109.0723908508 -108.5909016132 -109.1301994093 -109.1002208241 -108.6505222870
2.70 -109.2750909542 -108.9612924146 -108.8350272308 -108.8211694919 -108.9590718768 -108.7954842711 -108.7933119840 -108.9134932314 -108.8055441162 -108.7723541802 -108.9256283046 -108.9150062017 -108.8587904076 -108.9134932314 -108.8055441162 -108.7723541802 -108.9256283046 -108.9150062017 -108.8587904076 -108.8951763149 -108.8350276459 -108.8211756132 -108.9590733566 -108.9079693662 -108.8196251315 -109.0634237629 -108.9502228531 -108.7479391799 -109.1710268892 -109.1219085890 -108.8436164948 -109.0574932994 -108.8092666592 -108.6739772650 -109.0986552879 -108.8477084874 -108.6981742546 -109.0574932994 -108.8092666592 -108.6739772650 -109.0986552879 -108.8477084874 -108.6981742546 -109.0824727216 -109.0634230045 -108.5786999256 -109.1219092485 -109.0919026841 -108.6348715391
2.80 -109.2476140923 -108.9694252726 -108.8435212737 -108.8308377784 -108.9671043824 -108.8050456196 -108.8020450724 -108.9098533134 -108.8068268408 -108.7599659857 -108.9268505019 -108.9061961990 -108.8484313438 -108.9098533134 -108.8068268408 -108.7599659857 -108.9268505019 -108.9061961990 -108.8484313438 -108.9030685595 -108.8435221697 -108.8308431915 -108.9671056583 -108.9160339917 -108.8227120373 -109.0529558931 -108.9556194187 -108.7407472233 -109.1623323877 -109.1119351866 -108.8597529828 -109.0439745076 -108.8254602657 -108.6726521583 -109.0843465286 -108.8651249076 -108.6894192378 -109.0439745076 -108.8254602657 -108.6726521583 -109.0843465286 -108.8651249076 -108.6894192378 -109.0723571092 -109.0529560961 -108.5661318138 -109.1119401327 -109.0819090374 -108.6178220172
2.90 -109.2214343591 -108.9744114419 -108.8490362176 -108.8379649585 -108.9719001205 -108.8076481832 -108.7145461173 -108.9059039768 -108.8071118731 -108.7457549101 -108.9283483820 -108.8994303332 -108.8370015550 -108.9059039768 -108.8071118731 -108.7457549101 -108.9283483820 -108.8994303332 -108.8370015550 -108.9075246559 -108.8490373764 -108.8379695115 -108.9719008958 -108.9208759616 -108.8257992422 -109.0418899810 -108.9605811514 -108.7381629957 -109.1528679781 -109.1011426067 -108.8746241075 -109.0305785018 -108.8407060640 -108.6705722891 -109.0701990346 -108.8803147909 -108.6795643370 -109.0305785018 -108.8407060640 -108.6705722891 -109.0701990346 -108.8803147909 -108.6795643370 -109.0615820941 -109.0418919291 -108.5539094631 -109.1011420064 -109.0710738795 -108.6003251377
3.00 -109.1969876088 -108.9771697340 -108.8525057475 -108.8426321996 -108.8106018521 -108.7718401583 -108.6963809090 -108.9015624967 -108.8063279831 -108.7359731805 -108.9290775297 -108.8938251208 -108.8327638901 -108.9015624967 -108.8063279831 -108.7359731805 -108.9290775297 -108.8938251208 -108.8327638901 -108.9093981977 -108.8525059630 -108.8426356264 -108.9743579767 -108.9233632613 -108.8279212966 -109.0309353688 -108.9657074350 -108.7403210098 -109.1432481278 -109.0901795640 -108.8878311401 -109.0179399697 -108.8542503719 -108.6680563557 -109.0568084617 -108.8931591911 -108.6694673861 -109.0179399697 -108.8542503719 -108.6680563557 -109.0568084617 -108.8931591911 -108.6694673861 -109.0508613447 -109.0309366132 -108.5425597002 -109.0901808749 -109.0600568751 -108.5831045809
3.10 -109.1745999457 -108.9784490132 -108.8303398329 -108.7717160358 -108.8117773727 -108.7964954804 -108.6807811751 -108.8968849728 -108.8047323183 -108.7423375521 -108.9295591840 -108.8880652078 -108.8285221139 -108.8968849728 -108.8047323183 -108.7423375521 -108.9295591840 -108.8880652078 -108.8285221139 -108.9093702153 -108.8547930236 -108.8449008539 -108.9752162139 -108.9242125953 -108.8286277238 -109.0206561346 -108.9716434410 -108.7469598533 -109.1339253394 -109.0795530392 -108.8995302031 -109.0065386121 -108.8661001149 -108.6655339778 -109.0446216813 -108.9039465423 -108.6598190915 -109.0065386121 -108.8661001149 -108.6655339778 -109.0446216813 -108.9039465423 -108.6598190915 -109.0407685562 -109.0206581427 -108.5324691805 -109.0795556773 -109.0493583086 -108.5666971652