seniority/H8_cc-pvdz/pes_orbital_energy_1.dat

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2022-01-28 20:46:59 +01:00
1.0 -1.22296
1.1 -1.11725
1.2 -1.03262
1.3 -0.96340
1.4 -0.90549
1.5 -0.85615
1.6 -0.81347
1.7 -0.77608
1.75 -0.75904
1.8 -0.74297
1.85 -0.72778
1.9 -0.71338
1.95 -0.69973
2.0 -0.68676
2.05 -0.67441
2.1 -0.66264
2.15 -0.65141
2.2 -0.64068
2.25 -0.63041
2.3 -0.62058
2.4 -0.60211
2.5 -0.58506
2.6 -0.56926
2.7 -0.55457
2.8 -0.54087
2.9 -0.52806
3.0 -0.51604
3.1 -0.50475
3.2 -0.49411
3.3 -0.48407
3.4 -0.47458
3.5 -0.46559
3.6 -0.45707
3.7 -0.44897
3.8 -0.44126
3.9 -0.43392
4.0 -0.42692
4.1 -0.42023
4.2 -0.41384
4.3 -0.40772
4.4 -0.40186
4.5 -0.39624
4.6 -0.39085
4.7 -0.38568
4.8 -0.38071
4.9 -0.37594
5.0 -0.37134
5.1 -0.36692
5.2 -0.36266
5.3 -0.35856
5.4 -0.35461
5.5 -0.35080
5.6 -0.34712
5.7 -0.34357
5.8 -0.34015
5.9 -0.33685
6.0 -0.33366
6.1 -0.33058
6.2 -0.32761
6.3 -0.32474
6.4 -0.32197
6.5 -0.31930
6.6 -0.31672
6.7 -0.31423
6.8 -0.31183
6.9 -0.30952
7.0 -0.30729
7.5 -0.29735
8.0 -0.28918
8.5 -0.28251
9.0 -0.27710
9.5 -0.27268
10.0 -0.26905