seniority/ethylene_cc-pvdz/pes_CISDTQ.dat
2022-01-28 20:46:59 +01:00

56 lines
1.4 KiB
Plaintext

1.5 -77.21347871
1.6 -77.53538564
1.7 -77.77701276
1.8 -77.95682743
1.9 -78.08926936
2.0 -78.18496921
2.1 -78.25267950
2.2 -78.29897280
2.3 -78.32837713
2.4 -78.34544296
2.5 -78.35290500
2.52053 -78.35364039
2.6 -78.35342926
2.7 -78.34818362
2.8 -78.33948072
2.9 -78.32775654
3.0 -78.31427534
3.1 -78.29958705
3.2 -78.28389860
3.3 -78.26844151
3.4 -78.25256298
3.5 -78.23704612
3.6 -78.22185826
3.7 -78.20748679
3.8 -78.19360471
3.9 -78.18043271
4.0 -78.16774309
4.2 -78.14490374
4.4 -78.12502597
4.6 -78.10838682
4.8 -78.09398740
5.0 -78.08247179
5.2 -78.07301201
5.4 -78.06536101
5.6 -78.05935532
5.8 -78.05442925
6.0 -78.05057403
6.2 -78.04749679
6.4 -78.04529520
6.6 -78.04304600
6.8 -78.04173980
7.0 -78.04026316
7.2 -78.03935670
7.4 -78.03837374
7.6 -78.03775215
7.8 -78.03717966
8.0 -78.03668270
9.0 -78.03526968
10.0 -78.03455907
11.0 -78.03414442
12.0 -78.03402749
13.0 -78.03397038
14.0 -78.03382175
15.0 -78.03381988
16.0 -78.03367418