| |
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 | -113.5905167 | -113.8988693 | 0.3083525 | 0.0000000 | 113.8988693 | ||||||
| cm-1 | 3607.9 | 2847.6 | 760.3 | ||||||||
| eV | -3090.955 | 0.447 | -3090.508 | -3099.346 | 0.353 | -3098.993 | 8.391 | 0.094 | 8.485 | 0.000 | 3099.346 |