seniority/H8_cc-pvdz/pes_orbital_energy_25.dat

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2022-01-28 20:46:59 +01:00
1.0 2.61824
1.1 2.07572
1.2 1.96948
1.3 1.87966
1.4 1.80550
1.5 1.74575
1.6 1.69872
1.7 1.66243
1.75 1.64764
1.8 1.63475
1.85 1.62349
1.9 1.61364
1.95 1.57221
2.0 1.52421
2.05 1.47858
2.1 1.43530
2.15 1.41458
2.2 1.41541
2.25 1.41663
2.3 1.41815
2.4 1.42182
2.5 1.42597
2.6 1.43028
2.7 1.43453
2.8 1.43856
2.9 1.42664
3.0 1.41325
3.1 1.40785
3.2 1.41130
3.3 1.41986
3.4 1.42735
3.5 1.43591
3.6 1.44829
3.7 1.45887
3.8 1.45955
3.9 1.46002
4.0 1.46033
4.1 1.46049
4.2 1.46054
4.3 1.46051
4.4 1.46042
4.5 1.46029
4.6 1.46013
4.7 1.45997
4.8 1.45981
4.9 1.45966
5.0 1.45953
5.1 1.45943
5.2 1.45936
5.3 1.45933
5.4 1.45933
5.5 1.45937
5.6 1.45944
5.7 1.45954
5.8 1.45966
5.9 1.45980
6.0 1.45997
6.1 1.46015
6.2 1.46036
6.3 1.46058
6.4 1.46082
6.5 1.46107
6.6 1.46133
6.7 1.46160
6.8 1.46187
6.9 1.46215
7.0 1.46244
7.5 1.46385
8.0 1.46513
8.5 1.46619
9.0 1.46701
9.5 1.46760
10.0 1.46801