| |
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 | -405.2263832 | -405.5164082 | 0.2900251 | 0.0000000 | 405.5164082 | ||||||
| cm-1 | 167.8 | 285.2 | -117.5 | ||||||||
| eV | -11026.771 | 0.021 | -11026.750 | -11034.663 | 0.035 | -11034.627 | 7.892 | -0.015 | 7.877 | 0.000 | 11034.663 |