seniority/H8_cc-pvdz/pes_orbital_energy_10.dat
2022-01-28 20:46:59 +01:00

74 lines
883 B
Plaintext

1.0 0.80565
1.1 0.74993
1.2 0.72169
1.3 0.70789
1.4 0.68829
1.5 0.64349
1.6 0.60420
1.7 0.58112
1.75 0.57803
1.8 0.57837
1.85 0.58028
1.9 0.58290
1.95 0.58583
2.0 0.58886
2.05 0.59190
2.1 0.59488
2.15 0.59776
2.2 0.60051
2.25 0.60313
2.3 0.60563
2.4 0.61046
2.5 0.61538
2.6 0.62075
2.7 0.62665
2.8 0.63290
2.9 0.63921
3.0 0.64521
3.1 0.65050
3.2 0.65474
3.3 0.65765
3.4 0.65914
3.5 0.65928
3.6 0.65861
3.7 0.65697
3.8 0.65439
3.9 0.65174
4.0 0.64887
4.1 0.64556
4.2 0.64174
4.3 0.63754
4.4 0.63454
4.5 0.63206
4.6 0.62643
4.7 0.62206
4.8 0.61805
4.9 0.61246
5.0 0.60723
5.1 0.60189
5.2 0.59719
5.3 0.59291
5.4 0.58906
5.5 0.58564
5.6 0.58266
5.7 0.58011
5.8 0.57798
5.9 0.57626
6.0 0.57494
6.1 0.57399
6.2 0.57340
6.3 0.57315
6.4 0.57321
6.5 0.57356
6.6 0.57417
6.7 0.57503
6.8 0.57610
6.9 0.57736
7.0 0.57879
7.5 0.58758
8.0 0.59731
8.5 0.60622
9.0 0.61346
9.5 0.61883
10.0 0.62254