seniority/N2_cc-pvdz/pes_orbital_energy_3.dat

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2021-04-26 13:45:27 +02:00
0.7 -1.67097
0.75 -1.67629
0.8 -1.66567
0.85 -1.64382
0.9 -1.61449
0.95 -1.58055
1.0 -1.54411
1.05 -1.50673
1.1 -1.46950
1.15 -1.43320
1.2 -1.39836
1.3 -1.33435
1.4 -1.27885
1.5 -1.23192
1.6 -1.19292
1.7 -1.16091
1.8 -1.13485
1.9 -1.11375
2.0 -1.09666
2.1 -1.08281
2.2 -1.07155
2.3 -1.06238
2.4 -1.05489
2.5 -1.04874
2.6 -1.04367
2.7 -1.03945
2.8 -1.03588
2.9 -1.03282
3.0 -1.03012
3.1 -1.02771
3.2 -1.02551
3.3 -1.02349
3.4 -1.02163
3.5 -1.01990
3.6 -1.01832
3.7 -1.01687
3.8 -1.01557
3.9 -1.01441
4.0 -1.01339