seniority/H2O_cc-pvdz/pes_pccd.dat
2021-11-03 18:08:46 +01:00

49 lines
1.4 KiB
Plaintext

0.6 -75.3929005567342
0.65 -75.6433108973224
0.7 -75.8130044589901
0.75 -75.9244626848253
0.8 -75.9965835235025
0.85 -76.0400265139455
0.9 -76.0617669963325
0.9572 -76.0677996662791
1.0 -76.0629733415982
1.05 -76.0502918802252
1.1 -76.0324159502303
1.2 -75.9883124535154
1.3 -75.9406022305372
1.4 -75.8942994042176
1.5 -75.8519088210701
1.6 -75.8141958219206
1.7 -75.7812401364142
1.8 -75.7527356770788
1.9 -75.7289279360640
2.0 -75.7094814384805
2.1 -75.6679812692083
2.2 -75.6443772152241
2.3 -75.6515372720679
2.4 -75.6608340345281
2.5 -75.6688052746097
2.6 -75.6752065291809
2.7 -75.6802745167057
2.8 -75.6842605207149
2.9 -75.6873703496156
3.0 -75.6897651665780
3.1 -75.6915754827231
3.2 -75.6929348736240
3.3 -75.6939511283148
3.4 -75.6947145188397
3.5 -75.6952897386220
3.6 -75.6957185959186
3.7 -75.6960382526792
3.8 -75.6962741170138
3.9 -75.6964493933114
4.0 -75.6965744751731
4.5 -75.6968196351715
5.0 -75.6968557780592
5.5 -75.6968583041716
6.0 -75.6968591687617
6.5 -75.6968595968360
7.0 -75.6968599094604
7.5 -75.6968601181390
8.0 -75.6968602571844