seniority/N2_cc-pvdz/pes_orbital_energy_14.dat

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2021-04-26 13:45:27 +02:00
0.7 1.06463
0.75 1.05555
0.8 1.04532
0.85 1.03478
0.9 1.02451
0.95 1.01489
1.0 1.00616
1.05 0.99848
1.1 0.99197
1.15 0.98671
1.2 0.98284
1.3 0.92267
1.4 0.92878
1.5 0.94246
1.6 0.94659
1.7 0.94823
1.8 0.94926
1.9 0.95017
2.0 0.95094
2.1 0.95113
2.2 0.94922
2.3 0.93949
2.4 0.92523
2.5 0.93115
2.6 0.93653
2.7 0.94139
2.8 0.94578
2.9 0.94973
3.0 0.94948
3.1 0.94543
3.2 0.94186
3.3 0.93881
3.4 0.93626
3.5 0.93418
3.6 0.93251
3.7 0.93121
3.8 0.93021
3.9 0.92947
4.0 0.92892