| |
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 | -99.0579220 | -99.5820262 | 0.5241042 | 0.0000000 | 99.5820262 | ||||||
| cm-1 | 1358.4 | 1792.1 | -433.7 | ||||||||
| eV | -2695.503 | 0.168 | -2695.335 | -2709.765 | 0.222 | -2709.543 | 14.262 | -0.054 | 14.208 | 0.000 | 2709.765 |