| |
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 | -38.6521353 | -39.0184483 | 0.3663130 | 0.0000000 | 39.0184483 | ||||||
| cm-1 | 3434.6 | 3605.0 | -170.4 | ||||||||
| eV | -1051.778 | 0.426 | -1051.352 | -1061.746 | 0.447 | -1061.299 | 9.968 | -0.021 | 9.947 | 0.000 | 1061.746 |