seniority/N2_cc-pvdz/pes_orbital_energy_23.dat

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2021-04-26 13:45:27 +02:00
0.7 2.64309
0.75 2.59320
0.8 2.54476
0.85 2.49811
0.9 2.45346
0.95 2.41097
1.0 2.37076
1.05 2.33288
1.1 2.29739
1.15 2.26430
1.2 2.23361
1.3 2.17928
1.4 2.13406
1.5 2.09735
1.6 2.01980
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 1.99029
3.0 1.99175
3.1 1.99251
3.2 1.99302
3.3 1.99349
3.4 1.99403
3.5 1.99472
3.6 1.99560
3.7 1.99643
3.8 1.99720
3.9 1.99790
4.0 1.99853