seniority/N2_cc-pvdz/pes_orbital_energy_18.dat

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2021-04-26 13:45:27 +02:00
0.7 1.68351
0.75 1.68540
0.8 1.68947
0.85 1.69583
0.9 1.70445
0.95 1.71522
1.0 1.72795
1.05 1.69773
1.1 1.64084
1.15 1.59436
1.2 1.55586
1.3 1.49563
1.4 1.45051
1.5 1.41566
1.6 1.38838
1.7 1.36707
1.8 1.35066
1.9 1.33832
2.0 1.32934
2.1 1.32295
2.2 1.31815
2.3 1.31366
2.4 1.30792
2.5 1.29931
2.6 1.28660
2.7 1.26931
2.8 1.24779
2.9 1.22309
3.0 1.19653
3.1 1.16945
3.2 1.14295
3.3 1.11790
3.4 1.09493
3.5 1.07445
3.6 1.05675
3.7 1.04200
3.8 1.03025
3.9 1.02137
4.0 1.01502