![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -38.7685260 | -39.1542861 | 0.3857602 | 0.0000000 | 39.1542861 | ||||||
cm-1 | 3446.8 | 3640.7 | -193.9 | ||||||||
eV | -1054.945 | 0.427 | -1054.518 | -1065.442 | 0.451 | -1064.991 | 10.497 | -0.024 | 10.473 | 0.000 | 1065.442 |