seniority/H8_cc-pvdz/pes_orbital_energy_28.dat

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2022-01-28 20:46:59 +01:00
1.0 3.46714
1.1 2.56219
1.2 2.40306
1.3 2.27034
1.4 2.16208
1.5 2.07467
1.6 2.00396
1.7 1.94600
1.75 1.92072
1.8 1.89743
1.85 1.87583
1.9 1.85566
1.95 1.83153
2.0 1.78120
2.05 1.73393
2.1 1.68944
2.15 1.64756
2.2 1.60812
2.25 1.57105
2.3 1.56389
2.4 1.55523
2.5 1.54712
2.6 1.53940
2.7 1.53201
2.8 1.52496
2.9 1.51827
3.0 1.51198
3.1 1.50611
3.2 1.50070
3.3 1.49576
3.4 1.49129
3.5 1.48726
3.6 1.48368
3.7 1.48050
3.8 1.47771
3.9 1.47526
4.0 1.47313
4.1 1.47129
4.2 1.46969
4.3 1.46831
4.4 1.46712
4.5 1.46610
4.6 1.46521
4.7 1.46445
4.8 1.46380
4.9 1.46323
5.0 1.46275
5.1 1.46332
5.2 1.46280
5.3 1.46238
5.4 1.46206
5.5 1.46181
5.6 1.46164
5.7 1.46153
5.8 1.46147
5.9 1.46146
6.0 1.46150
6.1 1.46158
6.2 1.46154
6.3 1.46169
6.4 1.46187
6.5 1.46207
6.6 1.46229
6.7 1.46252
6.8 1.46276
6.9 1.46301
7.0 1.46327
7.5 1.46388
8.0 1.46513
8.5 1.46619
9.0 1.46701
9.5 1.46760
10.0 1.46801