seniority/H8_cc-pvdz/pes_orbital_energy_22.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 1.98205
1.1 1.67790
1.2 1.61750
1.3 1.56610
1.4 1.52336
1.5 1.48879
1.6 1.45619
1.7 1.40339
1.75 1.38079
1.8 1.35837
1.85 1.33577
1.9 1.31292
1.95 1.28987
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 1.30299
2.4 1.31488
2.5 1.32765
2.6 1.34085
2.7 1.33779
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 1.45912
4.9 1.45918
5.0 1.45920
5.1 1.45921
5.2 1.45923
5.3 1.45925
5.4 1.45929
5.5 1.45934
5.6 1.45942
5.7 1.45952
5.8 1.45965
5.9 1.45980
6.0 1.45996
6.1 1.46015
6.2 1.46036
6.3 1.46058
6.4 1.46082
6.5 1.46107
6.6 1.46133
6.7 1.46160
6.8 1.46187
6.9 1.46214
7.0 1.46234
7.5 1.46360
8.0 1.46495
8.5 1.46608
9.0 1.46694
9.5 1.46756
10.0 1.46799