| |
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 | -497.1278881 | -497.4328024 | 0.3049143 | 0.0000000 | 497.4328024 | ||||||
| cm-1 | 592.1 | 420.7 | 171.4 | ||||||||
| eV | -13527.538 | 0.073 | -13527.464 | -13535.835 | 0.052 | -13535.783 | 8.297 | 0.021 | 8.318 | 0.000 | 13535.835 |