| |
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 | -796.0073607 | -796.3628658 | 0.3555051 | 0.0000000 | 796.3628658 | ||||||
| cm-1 | 390.3 | 337.2 | 53.1 | ||||||||
| eV | -21660.462 | 0.048 | -21660.413 | -21670.136 | 0.042 | -21670.094 | 9.674 | 0.007 | 9.680 | 0.000 | 21670.136 |