seniority/H8_cc-pvdz/pes_orbital_energy_17.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 1.38301
1.1 1.22756
1.2 1.21642
1.3 1.20225
1.4 1.17707
1.5 1.14979
1.6 1.15353
1.7 1.15794
1.75 1.15158
1.8 1.10962
1.85 1.10102
1.9 1.10706
1.95 1.11327
2.0 1.11975
2.05 1.12656
2.1 1.13375
2.15 1.14136
2.2 1.14942
2.25 1.15794
2.3 1.16692
2.4 1.18620
2.5 1.17189
2.6 1.12887
2.7 1.09508
2.8 1.07054
2.9 1.05517
3.0 1.04875
3.1 1.05090
3.2 1.06097
3.3 1.07805
3.4 1.10095
3.5 1.12832
3.6 1.15872
3.7 1.19073
3.8 1.22306
3.9 1.25458
4.0 1.28441
4.1 1.31192
4.2 1.33670
4.3 1.35855
4.4 1.37746
4.5 1.39352
4.6 1.40696
4.7 1.41803
4.8 1.42702
4.9 1.43423
5.0 1.43994
5.1 1.44442
5.2 1.44791
5.3 1.45060
5.4 1.45266
5.5 1.45425
5.6 1.45548
5.7 1.45643
5.8 1.45719
5.9 1.45780
6.0 1.45831
6.1 1.45874
6.2 1.45913
6.3 1.45949
6.4 1.45983
6.5 1.46015
6.6 1.46047
6.7 1.46079
6.8 1.46110
6.9 1.46141
7.0 1.46172
7.5 1.46325
8.0 1.46463
8.5 1.46578
9.0 1.46667
9.5 1.46732
10.0 1.46777