seniority/H8_cc-pvdz/pes_orbital_energy_8.dat

74 lines
917 B
Plaintext
Raw Normal View History

2022-01-28 20:46:59 +01:00
1.0 0.52450
1.1 0.51266
1.2 0.51841
1.3 0.48245
1.4 0.45582
1.5 0.45318
1.6 0.46720
1.7 0.48244
1.75 0.49001
1.8 0.49750
1.85 0.50488
1.9 0.50622
1.95 0.49744
2.0 0.48880
2.05 0.48000
2.1 0.47070
2.15 0.46060
2.2 0.44945
2.25 0.43713
2.3 0.42365
2.4 0.39373
2.5 0.36139
2.6 0.32844
2.7 0.29619
2.8 0.26539
2.9 0.23643
3.0 0.20941
3.1 0.18435
3.2 0.16116
3.3 0.13973
3.4 0.11993
3.5 0.10164
3.6 0.08472
3.7 0.06906
3.8 0.05454
3.9 0.04107
4.0 0.02856
4.1 0.01692
4.2 0.00607
4.3 -0.00405
4.4 -0.01350
4.5 -0.02233
4.6 -0.03059
4.7 -0.03834
4.8 -0.04560
4.9 -0.05242
5.0 -0.05883
5.1 -0.06485
5.2 -0.07053
5.3 -0.07587
5.4 -0.08090
5.5 -0.08564
5.6 -0.09012
5.7 -0.09435
5.8 -0.09835
5.9 -0.10212
6.0 -0.10570
6.1 -0.10908
6.2 -0.11228
6.3 -0.11531
6.4 -0.11818
6.5 -0.12090
6.6 -0.12348
6.7 -0.12593
6.8 -0.12826
6.9 -0.13047
7.0 -0.13257
7.5 -0.14165
8.0 -0.14882
8.5 -0.15457
9.0 -0.15926
9.5 -0.16314
10.0 -0.16641