| |
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 | -336.9723091 | -337.2917683 | 0.3194592 | 0.0000000 | 337.2917683 | ||||||
| cm-1 | 3028.8 | 2563.1 | 465.7 | ||||||||
| eV | -9169.483 | 0.376 | -9169.107 | -9178.176 | 0.318 | -9177.858 | 8.693 | 0.058 | 8.751 | 0.000 | 9178.176 |