| |
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 | -187.6517277 | -187.9477957 | 0.2960680 | 0.0000000 | 187.9477957 | ||||||
| cm-1 | 4251.1 | 4194.9 | 56.2 | ||||||||
| eV | -5106.263 | 0.527 | -5105.736 | -5114.320 | 0.520 | -5113.800 | 8.056 | 0.007 | 8.063 | 0.000 | 5114.320 |