BSE-PES/Data/scan_N2_VTZ_CC2.dat

23 lines
17 KiB
Plaintext
Raw Normal View History

2020-03-20 00:05:50 +01:00
1.00 -104.8447339776 -104.2032237683 -104.1674055468 -104.0812676270 -104.2883939470 -104.1999906853 -104.1027446619 -104.2425953393 -104.1959784612 -103.7180737896 -104.2854237678 -104.2369212262 -103.7781419237 -104.2425953393 -104.1959784612 -103.7180737899 -104.2854237677 -104.2369212262 -103.7781419236 -103.7330116064 -103.7283620717 -103.6847171144 -103.7456716680 -103.7272704742 -103.6894547096 -104.2164274274 -104.1926939216 -104.0847546021 -104.2858857425 -104.1964263196 -104.1001576427 -104.2566118998 -104.2211331800 -103.7512297931 -104.2816139889 -104.2312693719 -103.7835344740 -104.2566118997 -104.2211331801 -103.7512297929 -104.2816139888 -104.2312693719 -103.7835344738 -103.7237715958 -103.7224171064 -103.6677391854 -103.7469492372 -103.7216560566 -103.6817090898
1.10 -106.2632816536 -105.5707934860 -105.5486601191 -105.4607346958 -105.6610388188 -105.5765361046 -105.4795627501 -105.6142639441 -105.5904464722 -105.2046778226 -105.6953527923 -105.6014068904 -105.2277310901 -105.6142639440 -105.5904464722 -105.2046778230 -105.6953527923 -105.6014068903 -105.2277310903 -105.2169408771 -105.2126538523 -105.0469858770 -105.2297744584 -105.2113591185 -105.0592781024 -105.6037604218 -105.5619758694 -105.4888269270 -105.6685296994 -105.5753744147 -105.4997410914 -105.6395006930 -105.6045449354 -105.1618544199 -105.6683323369 -105.6201273276 -105.1858184564 -105.6395006928 -105.6045449355 -105.1618544202 -105.6683323368 -105.6201273275 -105.1858184564 -105.2471408119 -105.2466055994 -105.0711512975 -105.2708576031 -105.2465070136 -105.0899100774
1.20 -107.2722063228 -106.5578711134 -106.5323550736 -106.4572222817 -106.6443406085 -106.5650587114 -106.4735647289 -106.6257578559 -106.5658013250 -106.2712841442 -106.7110907669 -106.5801847334 -106.2868858880 -106.6257578559 -106.5658013250 -106.2712841442 -106.7110907669 -106.5801847334 -106.2868858880 -106.2752612792 -106.2711871596 -106.0362692665 -106.2886297723 -106.2698075741 -106.0528395161 -106.5887286457 -106.5501190307 -106.4829582935 -106.6515596518 -106.5669967549 -106.4905935537 -106.6353810473 -106.5957204374 -106.2260280247 -106.6788060424 -106.6041499044 -106.2372220863 -106.6353810473 -106.5957204374 -106.2260280247 -106.6788060424 -106.6041499044 -106.2372220863 -106.3496330290 -106.3467530915 -106.0642052554 -106.3760450196 -106.3491602880 -106.0843371336
1.30 -107.9841930630 -107.2550865601 -107.2337258030 -107.1665618684 -107.3394714613 -107.2693275840 -107.1800461722 -107.3452700807 -107.2601721372 -107.0330522089 -107.4352099959 -107.2764560200 -107.0471632742 -107.3452700807 -107.2601721372 -107.0330522089 -107.4352099959 -107.2764560200 -107.0471632742 -107.0261607530 -107.0222066430 -106.7449274455 -107.0399467195 -107.0208125095 -106.7629945511 -107.2831247371 -107.2523655421 -107.1820037297 -107.3439238910 -107.2689743374 -107.2063907342 -107.3651124609 -107.2805103400 -106.9859299853 -107.4154959096 -107.2874399088 -106.9962273469 -107.3651124609 -107.2805103400 -106.9859299853 -107.4154959096 -107.2874399088 -106.9962273469 -107.1469925916 -107.1415145547 -106.7605152148 -107.1762015559 -107.1467031127 -106.7819566225
1.40 -108.4820257160 -107.7492773364 -107.7221010329 -107.6646539275 -107.8276520641 -107.7638063833 -107.6750237963 -107.8548942744 -107.7477064043 -107.5746596108 -107.9487175370 -107.7651238574 -107.5884311923 -107.8548942744 -107.7477064043 -107.5746596108 -107.9487175370 -107.7651238574 -107.5884311923 -107.5554383268 -107.5515378233 -107.2461227188 -107.5695100062 -107.5501746485 -107.2639772534 -107.7708225001 -107.7459766197 -107.6662460703 -107.8301887896 -107.7843752889 -107.7601394381 -107.8940382724 -107.7497379314 -107.5247871494 -107.9477829796 -107.7570024122 -107.5347589335 -107.8940382724 -107.7497379314 -107.5247871494 -107.9477829796 -107.7570024122 -107.5347589335 -107.7236063806 -107.7155073111 -107.2462564858 -107.7552234494 -107.7235110515 -107.2737336537
1.50 -108.8256309725 -108.0979528213 -108.0553899491 -108.0090061954 -108.1683262782 -108.1038987271 -108.0165063837 -108.2133849469 -108.0846106269 -107.9570160196 -108.3100268302 -108.1027561151 -107.9708121932 -108.2133849469 -108.0846106269 -107.9570160196 -108.3100268302 -108.1027561151 -107.9708121932 -107.9248769555 -107.9209780598 -107.5954727839 -107.9391055799 -107.9196770866 -107.6121935564 -108.1292913507 -108.1127471343 -108.0885280719 -108.2138159604 -108.1733906045 -108.1538289699 -108.2741327783 -108.0662568149 -107.9042394764 -108.3293727373 -108.0743066363 -107.9139444677 -108.2741327783 -108.0662568149 -107.9042394764 -108.3293727373 -108.0743066363 -107.9139444677 -108.1398678433 -108.1292913829 -107.6417756901 -108.1733915280 -108.1399706615 -107.6625300652
1.60 -109.0582760405 -108.3392706686 -108.2797305274 -108.2420572417 -108.4031537501 -108.3317926826 -108.2475350707 -108.4627117408 -108.3125061260 -108.2240065887 -108.5610818231 -108.3313884237 -108.2376864824 -108.4627117408 -108.3125061260 -108.2240065887 -108.5610818231 -108.3313884237 -108.2376864824 -108.1789879556 -108.1750480100 -107.8342597535 -108.1932470885 -108.1738314444 -107.8494052692 -108.4263046337 -108.3521380386 -108.3230324349 -108.5137997600 -108.4740871549 -108.3823272838 -108.5451214154 -108.2738036988 -108.1687928423 -108.6004913940 -108.2830984148 -108.1781268229 -108.5451214154 -108.2738036988 -108.1687928423 -108.6004913940 -108.2830984148 -108.1781268229 -108.4391277590 -108.4263048125 -107.9229811775 -108.4740864629 -108.4394324989 -107.9413035446
1.70 -109.2112732149 -108.5023454179 -108.4272264543 -108.3949927773 -108.5612444912 -108.4794633266 -108.4000855055 -108.6330418501 -108.4619693963 -108.4073810804 -108.7321650306 -108.4823431852 -108.4200406261 -108.6330418501 -108.4619693963 -108.4073810804 -108.7321650306 -108.4823431852 -108.4200406261 -108.3499796601 -108.3459587177 -107.9928624526 -108.3641436739 -108.3448440463 -108.0062674375 -108.6379062645 -108.5196345563 -108.4819648990 -108.7289549656 -108.6887308299 -108.5336065611 -108.7362429587 -108.4037501785 -108.3506976306 -108.7907679059 -108.4153201576 -108.3590222787 -108.7362429587 -108.4037501785 -108.3506976306 -108.7907679059 -108.4153201576 -108.3590222787 -108.6527217569 -108.6379062981 -108.1173065944 -108.6887302657 -108.6532325739 -108.1340323830
1.80 -109.3073645381 -108.6089218328 -108.5203112508 -108.4909866747 -108.6636831944 -108.5703709404 -108.4996372006 -108.7462353938 -108.5555280061 -108.5301034658 -108.8452964822 -108.5799979177 -108.5389981764 -108.7462353938 -108.5555280061 -108.5301034658 -108.8452964822 -108.5799979177 -108.5389981764 -108.4612818289 -108.4571460849 -108.0935962557 -108.4752245152 -108.4561464325 -108.1052603228 -108.7868945200 -108.6373428137 -108.5876238706 -108.8809788756 -108.8402350066 -108.6312643187 -108.8689418168 -108.4788268709 -108.4734609254 -108.9219724978 -108.4992315712 -108.4746871293 -108.8689418168 -108.4788268709 -108.4734609254 -108.9219724978 -108.4992315712 -108.4746871293 -108.8034632566 -108.7868945643 -108.2492625276 -108.8402345290 -108.8041869559 -108.2642787097
1.90 -109.3631315777 -108.6750189500 -108.5748086135 -108.5473862388 -108.7260808601 -108.6214915168 -108.5642961065 -108.8182609533 -108.6127733135 -108.6058671574 -108.9165930430 -108.6446084356 -108.6076123338 -108.8182609533 -108.6127733135 -108.6058671574 -108.9165930430 -108.6446084356 -108.6076123338 -108.5300322693 -108.5257493376 -108.1528813577 -108.5436263997 -108.5248756256 -108.1628757537 -108.8899540848 -108.7201054463 -108.6549450764 -108.9865757580 -108.9454057042 -108.6915890804 -108.9589968411 -108.5543523300 -108.5156248131 -109.0101432923 -108.5704937660 -108.5234338587 -108.9589968411 -108.5543523300 -108.5156248131 -109.0101432923 -108.5704937660 -108.5234338587 -108.9080699243 -108.8899541840 -108.3362458770 -108.9454052905 -108.9090142144 -108.3495218266
2.00 -109.3907181326 -108.7124186611 -108.6021625458 -108.5770563264 -108.7600410482 -108.6452660741 -108.6012053394 -108.8608769620 -108.6583865962 -108.6344302198 -108.9579275238 -108.6871177869 -108.6394012188 -108.8608769620 -108.6583865962 -108.6344302198 -108.9579275238 -108.6871177869 -108.6394012188 -108.5688416984 -108.5643803238 -108.1828463632 -108.5819587252 -108.5636417857 -108.1912778192 -108.9593746539 -108.7778791411 -108.6951156319 -109.0581645039 -109.0166430959 -108.7265553515 -109.0180773014 -108.6062210701 -108.5263936275 -109.0671417022 -108.6225754664 -108.5370602501 -109.0180773014 -108.6062210701 -108.5263936275 -109.0671417022 -108.6225754664 -108.5370602501 -108.9788696733 -108.9593748183 -108.3908030533 -109.0166427792 -108.9800420024 -108.4026454830
2.10 -109.3990637877 -108.7298203163 -108.6109126241 -108.5894681908 -108.7742000254 -108.6511751569 -108.6172910262 -108.8828126410 -108.6839264285 -108.6422648920 -108.9781092020 -108.7109890756 -108.6489590637 -108.8828126410 -108.6839264285 -108.6422648920 -108.9781092020 -108.7109890756 -108.6489590637 -108.5870509915 -108.5823801335 -108.1924983394 -108.5995598490 -108.5817845430 -108.1994661771 -109.0042690254 -108.8180444183 -108.7167933677 -109.1049880186 -109.0631529143 -108.7454016735 -109.0548575202 -108.6389047184 -108.5204334182 -109.1017829923 -108.6577431978 -108.5326958802 -109.0548575202 -108.6389047184 -108.5204334182 -109.1017829923 -108.6577431978 -108.5326958802 -109.0250119364 -109.0042691723 -108.4225090469 -109.0631526848 -109.0264183977 -108.4331582976
2.20 -109.3947794118 -108.7336919493 -108.6076149879 -108.5916540356 -108.7750125055 -108.6469967354 -108.6183479656 -108.8905948465 -108.6941255999 -108.6380169639 -108.9837139802 -108.7204817681 -108.6454344463 -108.8905948465 -108.6941255999 -108.6380169639 -108.9837139802 -108.7204817681 -108.6454344463 -108.5916278763 -108.5867159135 -108.1885643459 -108.6033920401 -108.5862698125 -108.1941468760 -109.0314334154 -108.8462364933 -108.7265104287 -109.1339509627 -109.0918063536 -108.7558198193 -109.0758016407 -108.6603862642 -108.5061344576 -109.1206343794 -108.6838816102 -108.5201524434 -109.0758016407 -108.6603862642 -108.5061344576 -109.1206343799 -108.6838816065 -108.5201524497 -109.0533253642 -109.0314335450 -108.4384520932 -109.0918062279 -109.0549698510 -108.4480941612
2.30 -109.3827623360 -108.7288734712 -108.5978323097 -108.5885887107 -108.7673277414 -108.6392188529 -108.6089395228 -108.8891236077 -108.6939749221 -108.6266587076 -108.9796675149 -108.7199273465 -108.6344946327 -108.8891236077 -108.6939749221 -108.6266587076 -108.9796675149 -108.7199273465 -108.6344946327 -108.5878008992 -108.5826107273 -108.1761096489 -108.5986718077 -108.5823212526 -108.1803752312 -109.0459518353 -108.8665953064 -108.7291621840 -109.1502285275 -109.1077462040 -108.7649252175 -109.0857245891 -108.6776960584 -108.4997074696 -109.1285877444 -108.7081722518 -108.5284895823 -109.0857245891 -108.6776960584 -108.4997074696 -109.1285877444 -108.7081722518 -108.5284895823 -109.0689212521 -109.0459519392 -108.4438870429 -109.1077462946 -109.0708051138 -108.4526631979
2.40 -109.3666333831 -108.7189919788 -108.5903910959 -108.5798937123 -108.7547985143 -108.6327714506 -108.5948129880 -108.8820793555 -108.6873154561 -108.6117631795 -108.9696622663 -108.7129252321 -108.6199950390 -108.8820793555 -108.6873154561 -108.6117631795 -108.9696622663 -108.7129252321 -108.6199950390 -108.5795158337 -108.5740034427 -108.1592366826 -108.5893226669 -108.5738772332 -108.1635207002 -109.0516270131 -108.8819759601 -108.7284422560 -109.1576949213 -109.1148208355 -108.7789196471 -109.0881927761 -108.6967874113 -108.5181833646 -109.1292671001 -108.7350883612 -108.5481425831 -109.0881927761 -108.6967874113 -108.5181833646 -109.1292671001 -108.7350883612 -108.5481425831 -109.0756245389 -109.0516270850 -108.4427081473 -109.1148210928 -109.0777466917 -108.4507235365
2.50 -109.3490564484 -108.7067508116 -108.5911806733 -108.5697756360 -108.7401776433 -108.6323075627 -108.5845886355 -108.8722198773 -108.6770639220 -108.5959024187 -108.9564632461 -108.7022990838 -108.6046500510 -108.8722198773 -108.6770639220 -108.5959024187 -108.9564632461 -108.7022990838 -108.6046500510 -108.5697761766 -108.5638868033 -108.1955228459 -108.5783120654 -108.5639318532 -108.1932347775 -109.0512979943 -108.8942143390 -108.7271599331 -109.1592473795 -109.1159038085 -108.8000708333 -109.0858355185 -108.7204475958 -108.5386182987 -109.1253371738 -108.7646018709 -108.5595084931 -109.0858355185 -108.7204475958 -108.5386182987 -109.1253371738 -108.7646018709 -108.5595084931 -109.0762917073 -109.0512978803 -108.4377963257 -109.1159042084 -109.0786491370 -108.4451269770
2.60 -109.3319765005 -108.6941392105 -108.5982883177 -108.5608987093 -108.7255614170 -108.6403551462 -108.5780823017 -108.8616022864 -108.6654056798 -108.5809101190 -108.9421365535 -108.6902022610 -108.5903778305 -108.8616022864 -108.6654056798 -108.5809101190 -108.9421365535 -108.6902022610 -108.5903778305 -108.5608990521 -108.5545668578 -108.2342852386 -108.5679073446 -108.5547929441 -108.2329023659 -109.0470783026 -108.9044249720 -108.7274166696 -109.1570426527 -109.1131348170 -108.8256331350 -109.0805836452 -108.7471599405 -108.5474993121 -109.1187511756 -108.7941442214 -108.5634687377 -109.0805836452 -108.7471599405 -108.5474993121 -109.1187511756 -108.7941442214 -108.5634687377 -109.0730501491 -109.0470781941 -108.4312762807 -109.1131353585 -109.0756385226 -108.4379742056
2.70 -109.3167964967 -108.6825932574 -108.6106466481 -108.5547037074 -108.7126905838 -108.6541794172 -108.5722946174 -108.8517463612 -108.6539457058 -108.5680846719 -108.9282194642 -108.6782354354 -108.5785296165 -108.8517463612 -108.6539457058 -108.5680846719 -108.9282194642 -108.6782354354 -108.5785296165 -108.5547041664 -108.5478571229 -108.2693486205 -108.5598712347 -108.5482704058 -108.2696936958 -109.0405366541 -108.9132836273 -108.7307194322 -109.1526873536 -109.1081009242 -108.8519569688 -109.0738506354 -108.7739770060 -108.5499252625 -109.1109303576 -108.8216602331 -108.5652295712 -109.0738506354 -108.7739770060 -108.5499252625 -109.1109303576 -108.8216602331 -108.5652295712 -109.0674783850 -109.0405365479 -108.4247062848 -109.1081016102 -109.0702927216 -108.4308034945
2.80 -109.3045088465 -108.6731261951 -108.6265896690 -108.5526391143 -108.7037993282 -108.6692340713 -108.5686620708 -108.8437578594 -108.6438316355 -108.5583417391 -108.9158454632 -108.6675552238 -108.5700475888 -108.8437578594 -108.6438316355 -108.5583417391 -108.9158454632 -108.6675552238 -108.5700475888 -108.5526391169 -108.5452164259 -108.3015691273 -108.5556078070 -108.5458223774 -108.3041260663 -109.0328312222 -108.9212277225 -108.7381023137 -109.1473687366 -109.1019727292 -108.8770594986 -109.0666676572 -108.7990558822 -108.5563274851 -109.1029001006 -108.8463627141 -108.5759098716 -109.0666676572 -108.7990558822 -108.5563274851 -109.1029001006 -108.8463627141 -108.5759098716 -109.0607415592 -109.0328311395 -108.4192185133 -109.1019735652 -109.0637769027 -108.4247302107
2.90 -109.2957938164 -108.6664409458 -108.6448562603 -108.5595290171 -108.7048822489 -108.6785648192 -108.5687665625 -108.8384214067 -108.6358567042 -108.5523307391 -108.9058379403 -108.6589680932 -108.5655852848 -108.8384215033 -108.6358570481 -108.5523318718 -108.9058370516 -108.6589684905 -108.5655871702 -108.5558317560 -108.5478191693 -108.3440089324 -108.5562611631 -108.5486105875 -108.3435838016 -109.0248117422 -108.9285893919 -108.7502678012 -109.1419597392 -109.0956069906 -108.9003417552 -109.0597839184 -108.8217978647 -108.5767974223 -109.0953954370 -108.8682896647 -108.5941864564 -109.0597839184 -108.8217978647 -108.5767974223 -109.0953954370 -108.8682896647 -108.5941864564 -109.0536936189 -109.0248116172 -108.4156238331 -109.0956079600 -109.0569456329 -108.4205529636
3.00 -109.2910943748 -108.6651176550 -108.6628147825 -108.5761609453 -108.7190845778 -108.6789529233 -108.5737439297 -108.8362736186 -108.6305477683 -108.5505209174 -108.8987814023 -108.6530167474 -108.5655969463 -108.8362733682 -108.6305478805 -108.5505216860 -108.8987806414 -108.6530170566 -108.5655997521 -108.5650662618 -108.5565392348 -108.3879710965 -108.5627535555 -108.5574896056 -108.3875407600 -109.0170965860 -108.9356498650 -108.7677237112 -109.1370979880 -109.0896246204 -108.9218870217 -109.0537402484 -108.8422941589 -108.5986215066 -109.0889353211 -108.8878564910 -108.6142423730 -109.0537402484 -108.8422941589 -108.5986215066 -109.0889353211 -108.8878564910 -108.6142423730 -109.0469550014 -109.0170964190 -108.4144913666 -109.0896257961 -109.0504204546 -108.4188249511
3.10 -109.2906739726 -108.6867618141 -108.6632005138 -108.5983053045 -108.7383904397 -108.6787360398 -108.5844235618 -108.8376602866 -108.6282412588 -108.5532785949 -108.8950773207 -108.6500534126 -108.5704151691 -108.8376597669 -108.6282412719 -108.5532792798 -108.8950775477 -108.6500531356 -108.5704172044 -108.5807070441 -108.5718536713 -108.4323814664 -108.5757336601 -108.5729172798 -108.4319501570 -109.0101320931 -108.9426480970 -108.7908934223 -109.1332464923 -109.0844703490 -108.9420379417 -109.0489232123 -108.8609252110 -108.6217975272 -109.0838844231 -108.9056026180 -108.6356450231 -109.0489232123 -108.8609252110 -108.6217975272 -109.0838844231 -108.9056026180 -108.6356450231 -109.0409720522 -109.0101318855 -108.4162098160 -109.0844717665 -109.0446491473 -108.4199265153