seniority/N2_cc-pvdz/pes_orbital_energy_22.dat

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2021-04-26 13:45:27 +02:00
0.7 2.45670
0.75 2.37054
0.8 2.28707
0.85 2.20707
0.9 2.13118
0.95 2.05997
1.0 1.99399
1.05 1.93374
1.1 1.87969
1.15 1.83228
1.2 1.79243
1.3 1.82783
1.4 1.86166
1.5 1.89189
1.6 1.91737
1.7 1.93775
1.8 1.95330
1.9 1.96467
2.0 1.97267
2.1 1.97815
2.2 1.98181
2.3 1.98423
2.4 1.98584
2.5 1.98695
2.6 1.98778
2.7 1.98846
2.8 1.98911
2.9 1.98976
3.0 1.99054
3.1 1.99134
3.2 1.99211
3.3 1.99293
3.4 1.99383
3.5 1.99472
3.6 1.99560
3.7 1.99643
3.8 1.99720
3.9 1.99790
4.0 1.99853