| |
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 | -1418.3558572 | -1418.6484496 | 0.2925924 | 0.0000000 | 1418.6484496 | ||||||
| cm-1 | 1817.7 | 1504.5 | 313.2 | ||||||||
| eV | -38595.426 | 0.225 | -38595.200 | -38603.388 | 0.187 | -38603.201 | 7.962 | 0.039 | 8.001 | 0.000 | 38603.388 |