seniority/H8_cc-pvdz/pes_orbital_energy_2.dat

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2022-01-28 20:46:59 +01:00
1.0 -0.98487
1.1 -0.91612
1.2 -0.86022
1.3 -0.81378
1.4 -0.77424
1.5 -0.74001
1.6 -0.70992
1.7 -0.68312
1.75 -0.67074
1.8 -0.65896
1.85 -0.64774
1.9 -0.63703
1.95 -0.62678
2.0 -0.61698
2.05 -0.60758
2.1 -0.59856
2.15 -0.58990
2.2 -0.58158
2.25 -0.57356
2.3 -0.56584
2.4 -0.55123
2.5 -0.53760
2.6 -0.52486
2.7 -0.51293
2.8 -0.50171
2.9 -0.49116
3.0 -0.48120
3.1 -0.47179
3.2 -0.46288
3.3 -0.45443
3.4 -0.44641
3.5 -0.43878
3.6 -0.43152
3.7 -0.42459
3.8 -0.41799
3.9 -0.41168
4.0 -0.40565
4.1 -0.39987
4.2 -0.39435
4.3 -0.38905
4.4 -0.38398
4.5 -0.37911
4.6 -0.37443
4.7 -0.36994
4.8 -0.36563
4.9 -0.36148
5.0 -0.35750
5.1 -0.35366
5.2 -0.34996
5.3 -0.34641
5.4 -0.34298
5.5 -0.33968
5.6 -0.33649
5.7 -0.33342
5.8 -0.33046
5.9 -0.32761
6.0 -0.32485
6.1 -0.32220
6.2 -0.31963
6.3 -0.31716
6.4 -0.31477
6.5 -0.31247
6.6 -0.31025
6.7 -0.30811
6.8 -0.30604
6.9 -0.30405
7.0 -0.30214
7.5 -0.29356
8.0 -0.28649
8.5 -0.28066
9.0 -0.27587
9.5 -0.27189
10.0 -0.26856