seniority/H8_cc-pvdz/pes_orbital_energy_4.dat
2022-01-28 20:46:59 +01:00

74 lines
956 B
Plaintext

1.0 -0.22189
1.1 -0.25362
1.2 -0.27957
1.3 -0.30060
1.4 -0.31730
1.5 -0.33032
1.6 -0.34035
1.7 -0.34793
1.75 -0.35096
1.8 -0.35353
1.85 -0.35571
1.9 -0.35752
1.95 -0.35901
2.0 -0.36020
2.05 -0.36113
2.1 -0.36183
2.15 -0.36231
2.2 -0.36261
2.25 -0.36275
2.3 -0.36274
2.4 -0.36233
2.5 -0.36152
2.6 -0.36040
2.7 -0.35902
2.8 -0.35745
2.9 -0.35573
3.0 -0.35390
3.1 -0.35197
3.2 -0.34997
3.3 -0.34791
3.4 -0.34582
3.5 -0.34371
3.6 -0.34158
3.7 -0.33945
3.8 -0.33734
3.9 -0.33524
4.0 -0.33316
4.1 -0.33112
4.2 -0.32911
4.3 -0.32713
4.4 -0.32520
4.5 -0.32331
4.6 -0.32147
4.7 -0.31967
4.8 -0.31791
4.9 -0.31620
5.0 -0.31453
5.1 -0.31290
5.2 -0.31132
5.3 -0.30978
5.4 -0.30828
5.5 -0.30682
5.6 -0.30539
5.7 -0.30401
5.8 -0.30266
5.9 -0.30134
6.0 -0.30006
6.1 -0.29881
6.2 -0.29759
6.3 -0.29640
6.4 -0.29524
6.5 -0.29411
6.6 -0.29300
6.7 -0.29192
6.8 -0.29087
6.9 -0.28984
7.0 -0.28884
7.5 -0.28417
8.0 -0.28001
8.5 -0.27632
9.0 -0.27303
9.5 -0.27009
10.0 -0.26745