seniority/H8_cc-pvdz/pes_orbital_energy_15.dat

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2022-01-28 20:46:59 +01:00
1.0 1.12062
1.1 1.13076
1.2 1.13760
1.3 1.14240
1.4 1.14625
1.5 1.10664
1.6 1.07057
1.7 1.08318
1.75 1.08917
1.8 1.09509
1.85 1.09593
1.9 1.08230
1.95 1.06879
2.0 1.05542
2.05 1.04225
2.1 1.02927
2.15 1.01649
2.2 1.00392
2.25 0.99153
2.3 0.97931
2.4 0.95530
2.5 0.93167
2.6 0.90831
2.7 0.88521
2.8 0.86255
2.9 0.84065
3.0 0.81989
3.1 0.80061
3.2 0.78309
3.3 0.76756
3.4 0.75419
3.5 0.74304
3.6 0.73405
3.7 0.72706
3.8 0.72187
3.9 0.71830
4.0 0.71613
4.1 0.71512
4.2 0.71500
4.3 0.71552
4.4 0.71647
4.5 0.71768
4.6 0.71902
4.7 0.72036
4.8 0.72162
4.9 0.72271
5.0 0.72358
5.1 0.72418
5.2 0.72448
5.3 0.72445
5.4 0.72410
5.5 0.72340
5.6 0.72238
5.7 0.72105
5.8 0.71942
5.9 0.71751
6.0 0.71537
6.1 0.71300
6.2 0.71045
6.3 0.70774
6.4 0.70490
6.5 0.70197
6.6 0.69895
6.7 0.69589
6.8 0.69281
6.9 0.68972
7.0 0.68664
7.5 0.67198
8.0 0.65944
8.5 0.64953
9.0 0.64218
9.5 0.63702
10.0 0.63358