seniority/H8_cc-pvdz/pes_orbital_energy_14.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 1.12062
1.1 1.12401
1.2 1.02537
1.3 1.02030
1.4 1.04007
1.5 1.05648
1.6 1.07057
1.7 1.08318
1.75 1.08917
1.8 1.09509
1.85 1.04776
1.9 1.00383
1.95 0.96588
2.0 0.93424
2.05 0.90887
2.1 0.88916
2.15 0.87406
2.2 0.86240
2.25 0.85318
2.3 0.84565
2.4 0.83375
2.5 0.82418
2.6 0.81557
2.7 0.80707
2.8 0.79809
2.9 0.78823
3.0 0.77736
3.1 0.76559
3.2 0.75325
3.3 0.74079
3.4 0.72859
3.5 0.71695
3.6 0.70604
3.7 0.69600
3.8 0.68703
3.9 0.67941
4.0 0.67403
4.1 0.66865
4.2 0.66338
4.3 0.66110
4.4 0.66017
4.5 0.66016
4.6 0.66079
4.7 0.66186
4.8 0.66322
4.9 0.66475
5.0 0.66636
5.1 0.66796
5.2 0.66947
5.3 0.67085
5.4 0.67204
5.5 0.67302
5.6 0.67376
5.7 0.67425
5.8 0.67449
5.9 0.67448
6.0 0.67423
6.1 0.67376
6.2 0.67308
6.3 0.67222
6.4 0.67120
6.5 0.67003
6.6 0.66875
6.7 0.66736
6.8 0.66590
6.9 0.66437
7.0 0.66280
7.5 0.65482
8.0 0.64751
8.5 0.64152
9.0 0.63700
9.5 0.63379
10.0 0.63164