seniority/H8_cc-pvdz/pes_orbital_energy_21.dat

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2022-01-28 20:46:59 +01:00
1.0 1.74792
1.1 1.67790
1.2 1.56169
1.3 1.46524
1.4 1.44856
1.5 1.41430
1.6 1.33049
1.7 1.27666
1.75 1.27468
1.8 1.27357
1.85 1.27333
1.9 1.27392
1.95 1.27530
2.0 1.27744
2.05 1.28028
2.1 1.28377
2.15 1.28784
2.2 1.29245
2.25 1.29752
2.3 1.28533
2.4 1.23535
2.5 1.25332
2.6 1.27213
2.7 1.29129
2.8 1.31033
2.9 1.32884
3.0 1.34644
3.1 1.36285
3.2 1.37788
3.3 1.39141
3.4 1.40338
3.5 1.41381
3.6 1.42275
3.7 1.43031
3.8 1.43661
3.9 1.44178
4.0 1.44595
4.1 1.44927
4.2 1.45187
4.3 1.45387
4.4 1.45537
4.5 1.45647
4.6 1.45727
4.7 1.45782
4.8 1.45820
4.9 1.45845
5.0 1.45861
5.1 1.45871
5.2 1.45878
5.3 1.45882
5.4 1.45886
5.5 1.45891
5.6 1.45898
5.7 1.45907
5.8 1.45918
5.9 1.45932
6.0 1.45948
6.1 1.45967
6.2 1.45988
6.3 1.46011
6.4 1.46036
6.5 1.46063
6.6 1.46090
6.7 1.46119
6.8 1.46148
6.9 1.46178
7.0 1.46209
7.5 1.46360
8.0 1.46495
8.5 1.46608
9.0 1.46694
9.5 1.46756
10.0 1.46799