seniority/H8_cc-pvdz/pes_orbital_energy_24.dat

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2022-01-28 20:46:59 +01:00
1.0 2.19919
1.1 2.07572
1.2 1.96948
1.3 1.87966
1.4 1.72185
1.5 1.55822
1.6 1.46186
1.7 1.44191
1.75 1.43432
1.8 1.42815
1.85 1.42330
1.9 1.41963
1.95 1.41702
2.0 1.41532
2.05 1.41443
2.1 1.41422
2.15 1.41458
2.2 1.41541
2.25 1.41663
2.3 1.41815
2.4 1.42182
2.5 1.41953
2.6 1.37437
2.7 1.35409
2.8 1.36704
2.9 1.37941
3.0 1.39100
3.1 1.40166
3.2 1.41130
3.3 1.41986
3.4 1.42735
3.5 1.43380
3.6 1.43926
3.7 1.44382
3.8 1.44756
3.9 1.45058
4.0 1.45296
4.1 1.45481
4.2 1.45621
4.3 1.45724
4.4 1.45798
4.5 1.45848
4.6 1.45881
4.7 1.45901
4.8 1.45964
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 1.46497
8.5 1.46609
9.0 1.46695
9.5 1.46757
10.0 1.46799