| |
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 | -22.4111387 | -22.8065187 | 0.3953800 | 0.0000000 | 22.8065187 | ||||||
| cm-1 | 5139.7 | 5636.6 | -497.0 | ||||||||
| eV | -609.838 | 0.637 | -609.201 | -620.597 | 0.699 | -619.898 | 10.759 | -0.062 | 10.697 | 0.000 | 620.597 |