seniority/H8_cc-pvdz/pes_orbital_energy_12.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 0.92240
1.1 0.96415
1.2 0.99574
1.3 0.94921
1.4 0.90098
1.5 0.87318
1.6 0.85533
1.7 0.84086
1.75 0.83371
1.8 0.82617
1.85 0.81787
1.9 0.80847
1.95 0.79756
2.0 0.78487
2.05 0.77049
2.1 0.75503
2.15 0.73952
2.2 0.72505
2.25 0.71244
2.3 0.70212
2.4 0.68846
2.5 0.68247
2.6 0.68153
2.7 0.68342
2.8 0.68661
2.9 0.69008
3.0 0.69316
3.1 0.69539
3.2 0.69654
3.3 0.69655
3.4 0.69548
3.5 0.69341
3.6 0.69043
3.7 0.68657
3.8 0.68180
3.9 0.67606
4.0 0.66982
4.1 0.66384
4.2 0.65775
4.3 0.65123
4.4 0.64451
4.5 0.63777
4.6 0.63116
4.7 0.62785
4.8 0.62093
4.9 0.61706
5.0 0.61496
5.1 0.61324
5.2 0.61186
5.3 0.61077
5.4 0.60994
5.5 0.60932
5.6 0.60890
5.7 0.60864
5.8 0.60853
5.9 0.60854
6.0 0.60865
6.1 0.60886
6.2 0.60915
6.3 0.60951
6.4 0.60992
6.5 0.61039
6.6 0.61090
6.7 0.61145
6.8 0.61203
6.9 0.61263
7.0 0.61325
7.5 0.61648
8.0 0.61956
8.5 0.62219
9.0 0.62425
9.5 0.62574
10.0 0.62676