| |
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 | -598.0879757 | -598.3920173 | 0.3040416 | 0.0000000 | 598.3920173 | ||||||
| cm-1 | 4061.2 | 3677.8 | 383.4 | ||||||||
| eV | -16274.801 | 0.504 | -16274.298 | -16283.075 | 0.456 | -16282.619 | 8.273 | 0.048 | 8.321 | 0.000 | 16283.075 |