![]() |
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 | -62.2049954 | -62.5665601 | 0.3615647 | 0.0000000 | 62.5665601 | ||||||
cm-1 | 572.5 | 680.2 | -107.6 | ||||||||
eV | -1692.684 | 0.071 | -1692.613 | -1702.523 | 0.084 | -1702.438 | 9.839 | -0.013 | 9.825 | 0.000 | 1702.523 |