seniority/ethylene_cc-pvdz/pes_rhf.dat

56 lines
1.0 KiB
Plaintext
Raw Normal View History

2022-01-14 17:05:13 +01:00
1.5 -76.929203904
1.6 -77.249604933
1.7 -77.488968319
1.8 -77.666227248
1.9 -77.795812113
2.0 -77.888736039
2.1 -77.953441228
2.2 -77.996432944
2.3 -78.022746842
2.4 -78.036292927
2.5 -78.040111466
2.52053 -78.03991
2.6 -78.036567113
2.7 -78.027499066
2.8 -78.014338498
2.9 -77.998200325
3.0 -77.979954189
3.1 -77.960278671
3.2 -77.939702361
3.3 -77.918635060
3.4 -77.897391880
3.5 -77.876212338
3.6 -77.855275876
3.7 -77.834714657
3.8 -77.814624124
3.9 -77.795071575
4.0 -77.776102947
4.2 -77.740024378
4.4 -77.706496078
4.6 -77.675504594
4.8 -77.646962738
5.0 -77.620740181
5.2 -77.596684583
5.4 -77.574635368
5.6 -77.554431887
5.8 -77.535918055
6.0 -77.518945205
6.2 -77.503374095
6.4 -77.489076397
6.6 -77.475935720
6.8 -77.463848105
7.0 -77.452721949
7.2 -77.442477332
7.4 -77.433044794
7.6 -77.424363673
7.8 -77.416380217
8.0 -77.409045712
9.0 -77.380584154
10.0 -77.36219316
11.0 -77.34979793
12.0 -77.34073126
13.0 -77.33355680
14.0 -77.32758348
15.0 -77.32247327
16.0 -77.31803455