seniority/N2_cc-pvdz/pes_orbital_energy_17.dat

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2021-04-26 13:45:27 +02:00
0.7 1.64764
0.75 1.60064
0.8 1.55084
0.85 1.49730
0.9 1.43826
0.95 1.37199
1.0 1.29824
1.05 1.21950
1.1 1.14085
1.15 1.06817
1.2 1.03107
1.3 1.01735
1.4 1.00797
1.5 1.02120
1.6 1.05987
1.7 1.09411
1.8 1.11381
1.9 1.11149
2.0 1.08797
2.1 1.05191
2.2 1.01360
2.3 0.98435
2.4 0.97832
2.5 0.97380
2.6 0.97110
2.7 0.97213
2.8 0.97348
2.9 0.97499
3.0 0.97660
3.1 0.97827
3.2 0.97999
3.3 0.98174
3.4 0.98350
3.5 0.98527
3.6 0.98701
3.7 0.98871
3.8 0.99034
3.9 0.99188
4.0 0.99331