seniority/N2_cc-pvdz/pes_orbital_energy_1.dat

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2021-04-26 13:45:27 +02:00
0.7 -15.68210
0.75 -15.64366
0.8 -15.62732
0.85 -15.62477
0.9 -15.63074
0.95 -15.64185
1.0 -15.65588
1.05 -15.67132
1.1 -15.68717
1.15 -15.70275
1.2 -15.71765
1.3 -15.74442
1.4 -15.76664
1.5 -15.78444
1.6 -15.79830
1.7 -15.80881
1.8 -15.81654
1.9 -15.82193
2.0 -15.82540
2.1 -15.82731
2.2 -15.82800
2.3 -15.82779
2.4 -15.82697
2.5 -15.82572
2.6 -15.82421
2.7 -15.82251
2.8 -15.82067
2.9 -15.81871
3.0 -15.81663
3.1 -15.81445
3.2 -15.81220
3.3 -15.80990
3.4 -15.80760
3.5 -15.80535
3.6 -15.80319
3.7 -15.80116
3.8 -15.79930
3.9 -15.79761
4.0 -15.79611