seniority/N2_cc-pvdz/pes_orbital_energy_26.dat
2021-04-26 13:45:27 +02:00

40 lines
473 B
Plaintext

0.7 3.72146
0.75 3.55606
0.8 3.42563
0.85 3.32303
0.9 3.24039
0.95 3.17072
1.0 3.10865
1.05 3.05047
1.1 2.99386
1.15 2.93751
1.2 2.88083
1.3 2.76629
1.4 2.65208
1.5 2.54168
1.6 2.43856
1.7 2.34552
1.8 2.26445
1.9 2.19629
2.0 2.14104
2.1 2.09792
2.2 2.06553
2.3 2.04209
2.4 2.02573
2.5 2.01470
2.6 2.00749
2.7 2.00291
2.8 2.00009
2.9 1.99844
3.0 1.99755
3.1 1.99716
3.2 1.99712
3.3 1.99730
3.4 1.99765
3.5 1.99809
3.6 1.99859
3.7 1.99910
3.8 1.99960
3.9 2.00008
4.0 2.00051