| |
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 | -15.4280186 | -15.7483054 | 0.3202868 | 0.0000000 | 15.7483054 | ||||||
| cm-1 | 458.6 | 382.0 | 76.6 | ||||||||
| eV | -419.818 | 0.057 | -419.761 | -428.533 | 0.047 | -428.486 | 8.715 | 0.009 | 8.725 | 0.000 | 428.533 |