| |
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 | -107.0355099 | -107.4461704 | 0.4106605 | 0.0000000 | 107.4461704 | ||||||
| cm-1 | 148.9 | 443.1 | -294.2 | ||||||||
| eV | -2912.584 | 0.018 | -2912.566 | -2923.759 | 0.055 | -2923.704 | 11.175 | -0.036 | 11.138 | 0.000 | 2923.759 |