seniority/N2_cc-pvdz/pes_orbital_energy_15.dat

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2021-04-26 13:45:27 +02:00
0.7 1.23422
0.75 1.19629
0.8 1.16433
0.85 1.13725
0.9 1.11416
0.95 1.09438
1.0 1.07743
1.05 1.06291
1.1 1.05051
1.15 1.03997
1.2 1.00629
1.3 0.98042
1.4 0.99096
1.5 1.00179
1.6 0.99782
1.7 0.99527
1.8 0.99348
1.9 0.99195
2.0 0.99030
2.1 0.98825
2.2 0.98561
2.3 0.98229
2.4 0.97305
2.5 0.97086
2.6 0.96891
2.7 0.96385
2.8 0.95881
2.9 0.95398
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