seniority/H8_cc-pvdz/pes_orbital_energy_26.dat

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2022-01-28 20:46:59 +01:00
1.0 2.74732
1.1 2.39173
1.2 2.14168
1.3 1.91850
1.4 1.80550
1.5 1.74575
1.6 1.69872
1.7 1.66243
1.75 1.64764
1.8 1.63475
1.85 1.62349
1.9 1.61364
1.95 1.60498
2.0 1.59731
2.05 1.59046
2.1 1.58427
2.15 1.57862
2.2 1.57339
2.25 1.56851
2.3 1.53627
2.4 1.47346
2.5 1.42597
2.6 1.43028
2.7 1.43453
2.8 1.43856
2.9 1.44229
3.0 1.44565
3.1 1.44863
3.2 1.45122
3.3 1.45342
3.4 1.45526
3.5 1.45676
3.6 1.45795
3.7 1.45887
3.8 1.45955
3.9 1.46002
4.0 1.46033
4.1 1.46049
4.2 1.46054
4.3 1.46051
4.4 1.46042
4.5 1.46029
4.6 1.46013
4.7 1.45997
4.8 1.45981
4.9 1.46155
5.0 1.46272
5.1 1.46235
5.2 1.46201
5.3 1.46174
5.4 1.46153
5.5 1.46137
5.6 1.46127
5.7 1.46122
5.8 1.46121
5.9 1.46124
6.0 1.46130
6.1 1.46140
6.2 1.46153
6.3 1.46151
6.4 1.46152
6.5 1.46158
6.6 1.46167
6.7 1.46180
6.8 1.46196
6.9 1.46215
7.0 1.46244
7.5 1.46385
8.0 1.46513
8.5 1.46619
9.0 1.46701
9.5 1.46760
10.0 1.46801