| |
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 | -92.6870226 | -93.1661065 | 0.4790839 | 0.0000000 | 93.1661065 | ||||||
| cm-1 | 3072.4 | 3366.9 | -294.5 | ||||||||
| eV | -2522.142 | 0.381 | -2521.761 | -2535.179 | 0.417 | -2534.761 | 13.037 | -0.037 | 13.000 | 0.000 | 2535.179 |