seniority/H8_cc-pvdz/pes_orbital_energy_27.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 2.74732
1.1 2.56219
1.2 2.40306
1.3 2.27034
1.4 2.16208
1.5 2.07467
1.6 1.98346
1.7 1.85010
1.75 1.78897
1.8 1.73085
1.85 1.67545
1.9 1.62260
1.95 1.60498
2.0 1.59731
2.05 1.59046
2.1 1.58427
2.15 1.57862
2.2 1.57339
2.25 1.56851
2.3 1.56389
2.4 1.55523
2.5 1.54712
2.6 1.52745
2.7 1.48268
2.8 1.44939
2.9 1.44229
3.0 1.44565
3.1 1.44863
3.2 1.45122
3.3 1.45342
3.4 1.45526
3.5 1.45676
3.6 1.45795
3.7 1.46055
3.8 1.47192
3.9 1.47526
4.0 1.47313
4.1 1.47129
4.2 1.46969
4.3 1.46831
4.4 1.46712
4.5 1.46610
4.6 1.46521
4.7 1.46445
4.8 1.46380
4.9 1.46323
5.0 1.46275
5.1 1.46235
5.2 1.46201
5.3 1.46174
5.4 1.46153
5.5 1.46137
5.6 1.46127
5.7 1.46122
5.8 1.46121
5.9 1.46124
6.0 1.46130
6.1 1.46140
6.2 1.46153
6.3 1.46169
6.4 1.46187
6.5 1.46207
6.6 1.46229
6.7 1.46252
6.8 1.46276
6.9 1.46291
7.0 1.46297
7.5 1.46385
8.0 1.46513
8.5 1.46619
9.0 1.46701
9.5 1.46760
10.0 1.46801