| |
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 | -49.0707528 | -49.3912351 | 0.3204823 | 0.0000000 | 49.3912351 | ||||||
| cm-1 | 209.7 | 507.9 | -298.2 | ||||||||
| eV | -1335.283 | 0.026 | -1335.257 | -1344.004 | 0.063 | -1343.941 | 8.721 | -0.037 | 8.684 | 0.000 | 1344.004 |