seniority/N2_cc-pvdz/pes_orbital_energy_19.dat

40 lines
473 B
Plaintext
Raw Normal View History

2021-04-26 13:45:27 +02:00
0.7 1.68351
0.75 1.68540
0.8 1.68947
0.85 1.69583
0.9 1.70445
0.95 1.71522
1.0 1.72795
1.05 1.74236
1.1 1.75815
1.15 1.77496
1.2 1.79190
1.3 1.73334
1.4 1.70489
1.5 1.70440
1.6 1.72636
1.7 1.76301
1.8 1.80625
1.9 1.78614
2.0 1.79367
2.1 1.82509
2.2 1.86488
2.3 1.90281
2.4 1.93390
2.5 1.95679
2.6 1.97224
2.7 1.98184
2.8 1.98736
2.9 1.98962
3.0 1.99047
3.1 1.99124
3.2 1.99206
3.3 1.99290
3.4 1.99371
3.5 1.99452
3.6 1.99534
3.7 1.99604
3.8 1.99674
3.9 1.99741
4.0 1.99803