seniority/H8_cc-pvdz/pes_orbital_energy_20.dat

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2022-01-28 20:46:59 +01:00
1.0 1.74792
1.1 1.50323
1.2 1.47881
1.3 1.39723
1.4 1.30704
1.5 1.29344
1.6 1.28329
1.7 1.27666
1.75 1.27468
1.8 1.27357
1.85 1.27333
1.9 1.27392
1.95 1.27530
2.0 1.26672
2.05 1.24360
2.1 1.22061
2.15 1.19785
2.2 1.20364
2.25 1.21092
2.3 1.21866
2.4 1.23535
2.5 1.25332
2.6 1.27213
2.7 1.29129
2.8 1.30955
2.9 1.29615
3.0 1.31739
3.1 1.33735
3.2 1.35575
3.3 1.37241
3.4 1.38723
3.5 1.40022
3.6 1.41141
3.7 1.42092
3.8 1.42889
3.9 1.43547
4.0 1.44082
4.1 1.44511
4.2 1.44851
4.3 1.45115
4.4 1.45318
4.5 1.45471
4.6 1.45584
4.7 1.45676
4.8 1.45820
4.9 1.45845
5.0 1.45861
5.1 1.45871
5.2 1.45878
5.3 1.45882
5.4 1.45886
5.5 1.45891
5.6 1.45898
5.7 1.45907
5.8 1.45918
5.9 1.45932
6.0 1.45948
6.1 1.45967
6.2 1.45988
6.3 1.46011
6.4 1.46036
6.5 1.46063
6.6 1.46090
6.7 1.46119
6.8 1.46148
6.9 1.46178
7.0 1.46209
7.5 1.46357
8.0 1.46492
8.5 1.46593
9.0 1.46675
9.5 1.46737
10.0 1.46780