| |
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 | -2150.4984467 | -2150.9093055 | 0.4108588 | 0.0000000 | 2150.9093055 | ||||||
| cm-1 | 443.8 | 490.6 | -46.8 | ||||||||
| eV | -58518.039 | 0.055 | -58517.984 | -58529.219 | 0.061 | -58529.158 | 11.180 | -0.006 | 11.174 | 0.000 | 58529.219 |