seniority/H8_cc-pvdz/pes_orbital_energy_13.dat

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2022-01-28 20:46:59 +01:00
1.0 0.99074
1.1 0.96415
1.2 0.99574
1.3 1.02030
1.4 1.04007
1.5 1.05648
1.6 1.01346
1.7 0.93339
1.75 0.89979
1.8 0.87050
1.85 0.84540
1.9 0.82423
1.95 0.80667
2.0 0.79231
2.05 0.78070
2.1 0.77139
2.15 0.76397
2.2 0.75807
2.25 0.75339
2.3 0.74968
2.4 0.74444
2.5 0.74119
2.6 0.73908
2.7 0.73748
2.8 0.73587
2.9 0.73383
3.0 0.73107
3.1 0.72741
3.2 0.72277
3.3 0.71715
3.4 0.71059
3.5 0.70325
3.6 0.69544
3.7 0.68751
3.8 0.68212
3.9 0.67857
4.0 0.67301
4.1 0.66745
4.2 0.66261
4.3 0.65606
4.4 0.64917
4.5 0.64209
4.6 0.63495
4.7 0.63008
4.8 0.62953
4.9 0.62937
5.0 0.62952
5.1 0.62992
5.2 0.63049
5.3 0.63118
5.4 0.63195
5.5 0.63274
5.6 0.63352
5.7 0.63426
5.8 0.63494
5.9 0.63554
6.0 0.63606
6.1 0.63648
6.2 0.63681
6.3 0.63705
6.4 0.63721
6.5 0.63728
6.6 0.63728
6.7 0.63721
6.8 0.63709
6.9 0.63691
7.0 0.63669
7.5 0.63519
8.0 0.63348
8.5 0.63194
9.0 0.63073
9.5 0.62986
10.0 0.62926