seniority/H8_cc-pvdz/pes_orbital_energy_16.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 1.23869
1.1 1.13076
1.2 1.13760
1.3 1.14240
1.4 1.14625
1.5 1.14979
1.6 1.15353
1.7 1.13693
1.75 1.12330
1.8 1.09721
1.85 1.10102
1.9 1.10706
1.95 1.11327
2.0 1.11975
2.05 1.12656
2.1 1.13375
2.15 1.14136
2.2 1.14942
2.25 1.15333
2.3 1.13170
2.4 1.08996
2.5 1.05052
2.6 1.01378
2.7 0.98014
2.8 0.95004
2.9 0.92387
3.0 0.90181
3.1 0.88376
3.2 0.86933
3.3 0.85793
3.4 0.84891
3.5 0.84168
3.6 0.83575
3.7 0.83075
3.8 0.82641
3.9 0.82253
4.0 0.81900
4.1 0.81571
4.2 0.81259
4.3 0.80961
4.4 0.80670
4.5 0.80382
4.6 0.80095
4.7 0.79804
4.8 0.79507
4.9 0.79200
5.0 0.78881
5.1 0.78549
5.2 0.78203
5.3 0.77841
5.4 0.77464
5.5 0.77071
5.6 0.76664
5.7 0.76244
5.8 0.75811
5.9 0.75368
6.0 0.74917
6.1 0.74459
6.2 0.73996
6.3 0.73531
6.4 0.73065
6.5 0.72600
6.6 0.72139
6.7 0.71683
6.8 0.71234
6.9 0.70792
7.0 0.70360
7.5 0.68377
8.0 0.66746
8.5 0.65483
9.0 0.64558
9.5 0.63913
10.0 0.63485