seniority/H8_cc-pvdz/pes_orbital_energy_11.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 0.92240
1.1 0.76387
1.2 0.75234
1.3 0.72748
1.4 0.69941
1.5 0.69264
1.6 0.68631
1.7 0.67969
1.75 0.67609
1.8 0.67224
1.85 0.66816
1.9 0.66390
1.95 0.65958
2.0 0.65536
2.05 0.65140
2.1 0.64786
2.15 0.64486
2.2 0.64248
2.25 0.64074
2.3 0.63964
2.4 0.63923
2.5 0.64083
2.6 0.64400
2.7 0.64833
2.8 0.65347
2.9 0.65912
3.0 0.66500
3.1 0.67077
3.2 0.67603
3.3 0.68037
3.4 0.68351
3.5 0.68526
3.6 0.68558
3.7 0.68450
3.8 0.67974
3.9 0.67223
4.0 0.66497
4.1 0.65793
4.2 0.65108
4.3 0.64446
4.4 0.63812
4.5 0.63256
4.6 0.63105
4.7 0.62483
4.8 0.61978
4.9 0.61428
5.0 0.60839
5.1 0.60439
5.2 0.60112
5.3 0.59827
5.4 0.59581
5.5 0.59370
5.6 0.59194
5.7 0.59050
5.8 0.58938
5.9 0.58854
6.0 0.58798
6.1 0.58767
6.2 0.58760
6.3 0.58774
6.4 0.58809
6.5 0.58862
6.6 0.58931
6.7 0.59015
6.8 0.59111
6.9 0.59218
7.0 0.59335
7.5 0.60006
8.0 0.60706
8.5 0.61329
9.0 0.61826
9.5 0.62192
10.0 0.62443