| |
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 | -897.0018098 | -897.3881454 | 0.3863356 | 0.0000000 | 897.3881454 | ||||||
| cm-1 | 3344.5 | 2683.9 | 660.6 | ||||||||
| eV | -24408.661 | 0.415 | -24408.246 | -24419.173 | 0.333 | -24418.841 | 10.513 | 0.082 | 10.595 | 0.000 | 24419.173 |