| |
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 | -113.2913004 | -113.5736961 | 0.2823957 | 0.0000000 | 113.5736961 | ||||||
| cm-1 | 3426.8 | 2736.3 | 690.5 | ||||||||
| eV | -3082.813 | 0.425 | -3082.388 | -3090.497 | 0.339 | -3090.158 | 7.684 | 0.086 | 7.770 | 0.000 | 3090.497 |