seniority/H8_cc-pvdz/pes_orbital_energy_3.dat

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2022-01-28 20:46:59 +01:00
1.0 -0.63737
1.1 -0.61806
1.2 -0.60139
1.3 -0.58665
1.4 -0.57317
1.5 -0.56058
1.6 -0.54864
1.7 -0.53722
1.75 -0.53168
1.8 -0.52626
1.85 -0.52094
1.9 -0.51572
1.95 -0.51061
2.0 -0.50560
2.05 -0.50068
2.1 -0.49587
2.15 -0.49116
2.2 -0.48655
2.25 -0.48203
2.3 -0.47762
2.4 -0.46906
2.5 -0.46088
2.6 -0.45305
2.7 -0.44556
2.8 -0.43840
2.9 -0.43154
3.0 -0.42498
3.1 -0.41870
3.2 -0.41267
3.3 -0.40689
3.4 -0.40134
3.5 -0.39601
3.6 -0.39089
3.7 -0.38598
3.8 -0.38125
3.9 -0.37670
4.0 -0.37233
4.1 -0.36813
4.2 -0.36409
4.3 -0.36020
4.4 -0.35646
4.5 -0.35287
4.6 -0.34940
4.7 -0.34607
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4.9 -0.33978
5.0 -0.33680
5.1 -0.33394
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5.3 -0.32852
5.4 -0.32595
5.5 -0.32348
5.6 -0.32109
5.7 -0.31879
5.8 -0.31657
5.9 -0.31442
6.0 -0.31235
6.1 -0.31035
6.2 -0.30842
6.3 -0.30656
6.4 -0.30476
6.5 -0.30302
6.6 -0.30134
6.7 -0.29971
6.8 -0.29815
6.9 -0.29663
7.0 -0.29517
7.5 -0.28856
8.0 -0.28300
8.5 -0.27830
9.0 -0.27432
9.5 -0.27090
10.0 -0.26795