seniority/H8_cc-pvdz/pes_orbital_energy_9.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 0.58249
1.1 0.55578
1.2 0.52038
1.3 0.52894
1.4 0.53688
1.5 0.54316
1.6 0.54686
1.7 0.54210
1.75 0.53433
1.8 0.52491
1.85 0.51537
1.9 0.51217
1.95 0.51935
2.0 0.52644
2.05 0.53342
2.1 0.54032
2.15 0.54712
2.2 0.55385
2.25 0.56049
2.3 0.56706
2.4 0.57997
2.5 0.59253
2.6 0.60462
2.7 0.61605
2.8 0.62657
2.9 0.63585
3.0 0.64361
3.1 0.64970
3.2 0.65414
3.3 0.65709
3.4 0.65874
3.5 0.65921
3.6 0.65830
3.7 0.65655
3.8 0.65430
3.9 0.65110
4.0 0.64742
4.1 0.64369
4.2 0.64019
4.3 0.63711
4.4 0.63328
4.5 0.62921
4.6 0.62547
4.7 0.62116
4.8 0.61628
4.9 0.61178
5.0 0.60700
5.1 0.60155
5.2 0.59595
5.3 0.59075
5.4 0.58600
5.5 0.58172
5.6 0.57793
5.7 0.57462
5.8 0.57181
5.9 0.56947
6.0 0.56761
6.1 0.56619
6.2 0.56521
6.3 0.56463
6.4 0.56444
6.5 0.56461
6.6 0.56512
6.7 0.56592
6.8 0.56700
6.9 0.56832
7.0 0.56985
7.5 0.57974
8.0 0.59109
8.5 0.60167
9.0 0.61034
9.5 0.61681
10.0 0.62129