seniority/H8_cc-pvdz/pes_orbital_energy_18.dat

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2022-01-28 20:46:59 +01:00
1.0 1.39514
1.1 1.36812
1.2 1.34446
1.3 1.32405
1.4 1.26462
1.5 1.19475
1.6 1.16407
1.7 1.15794
1.75 1.16054
1.8 1.16349
1.85 1.16682
1.9 1.17058
1.95 1.17482
2.0 1.17955
2.05 1.18479
2.1 1.19056
2.15 1.19684
2.2 1.17540
2.25 1.15794
2.3 1.16692
2.4 1.18620
2.5 1.20700
2.6 1.22891
2.7 1.25142
2.8 1.27401
2.9 1.28927
3.0 1.27652
3.1 1.27077
3.2 1.27139
3.3 1.27760
3.4 1.28846
3.5 1.30292
3.6 1.31983
3.7 1.33809
3.8 1.35666
3.9 1.37468
4.0 1.39147
4.1 1.40658
4.2 1.41974
4.3 1.43084
4.4 1.43993
4.5 1.44714
4.6 1.45267
4.7 1.45666
4.8 1.45725
4.9 1.45766
5.0 1.45795
5.1 1.45815
5.2 1.45830
5.3 1.45841
5.4 1.45851
5.5 1.45861
5.6 1.45872
5.7 1.45885
5.8 1.45899
5.9 1.45915
6.0 1.45934
6.1 1.45954
6.2 1.45977
6.3 1.46001
6.4 1.46027
6.5 1.46054
6.6 1.46082
6.7 1.46112
6.8 1.46142
6.9 1.46173
7.0 1.46204
7.5 1.46353
8.0 1.46475
8.5 1.46584
9.0 1.46670
9.5 1.46733
10.0 1.46778