| |
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 | -92.7036129 | -93.1861699 | 0.4825570 | 0.0000000 | 93.1861699 | ||||||
| cm-1 | 3047.9 | 3408.9 | -361.0 | ||||||||
| eV | -2522.594 | 0.378 | -2522.216 | -2535.725 | 0.423 | -2535.302 | 13.131 | -0.045 | 13.086 | 0.000 | 2535.725 |