seniority/N2_cc-pvdz/pes_orbital_energy_28.dat

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2021-04-26 13:45:27 +02:00
0.7 7.11650
0.75 6.08627
0.8 5.28551
0.85 4.67018
0.9 4.20319
0.95 3.85409
1.0 3.59728
1.05 3.41126
1.1 3.27867
1.15 3.18633
1.2 3.12461
1.3 3.06520
1.4 3.05345
1.5 3.04905
1.6 3.02273
1.7 2.96261
1.8 2.87181
1.9 2.76091
2.0 2.64158
2.1 2.52346
2.2 2.41333
2.3 2.31547
2.4 2.23222
2.5 2.16443
2.6 2.11174
2.7 2.07274
2.8 2.04528
2.9 2.02683
3.0 2.01499
3.1 2.00772
3.2 2.00347
3.3 2.00114
3.4 2.00000
3.5 1.99957
3.6 1.99956
3.7 1.99977
3.8 2.00009
3.9 2.00045
4.0 2.00081