| |
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 | -607.0038305 | -607.3930422 | 0.3892117 | 0.0000000 | 607.3930422 | ||||||
| cm-1 | 1305.3 | 1092.6 | 212.7 | ||||||||
| eV | -16517.414 | 0.162 | -16517.252 | -16528.005 | 0.135 | -16527.870 | 10.591 | 0.026 | 10.617 | 0.000 | 16528.005 |