| |
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 | -15.8567605 | -16.2441145 | 0.3873540 | 0.0000000 | 16.2441145 | ||||||
| cm-1 | 5128.2 | 5209.8 | -81.6 | ||||||||
| eV | -431.484 | 0.636 | -430.849 | -442.025 | 0.646 | -441.379 | 10.540 | -0.010 | 10.530 | 0.000 | 442.025 |