| |
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 | -113.5250919 | -113.8266937 | 0.3016019 | 0.0000000 | 113.8266937 | ||||||
| cm-1 | 3484.7 | 2767.0 | 717.7 | ||||||||
| eV | -3089.175 | 0.432 | -3088.743 | -3097.382 | 0.343 | -3097.039 | 8.207 | 0.089 | 8.296 | 0.000 | 3097.382 |