seniority/H2O_cc-pvdz/pes_s4.e2.dat
2021-11-03 18:08:46 +01:00

49 lines
1.0 KiB
Plaintext

0.6 -75.53728195
0.65 -75.79077098
0.7 -75.96362630
0.75 -76.07904893
0.8 -76.15333124
0.85 -76.19804657
0.9 -76.22150659
0.9572 -76.22995442
1.0 -76.22718200
1.05 -76.21706738
1.1 -76.20179265
1.2 -76.16229378
1.3 -76.11772930
1.4 -76.07284875
1.5 -76.03008272
1.6 -75.99057234
1.7 -75.95472911
1.8 -75.92257506
1.9 -75.89394806
2.0 -75.86861191
2.1 -75.84074761
2.2 -75.81324251
2.3 -75.79577069
2.4 -75.78429032
2.5 -75.77699048
2.6 -75.77282427
2.7 -75.77102163
2.8 -75.77084203
2.9 -75.77157089
3.0 -75.77265684
3.1 -75.77377495
3.2 -75.77477290
3.3 -75.77559761
3.4 -75.77624767
3.5 -75.77674333
3.6 -75.77710978
3.7 -75.77737757
3.8 -75.77756675
3.9 -75.77769999
4.0 -75.77779088
4.5 -75.77793055
5.0 -75.77791960
5.5 -75.77789346
6.0 -75.77787105
6.5 -75.77785217
7.0 -75.77783604
7.5 -75.73655088
8.0 -75.73646546