| |
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 | -129.4317054 | -129.7838549 | 0.3521495 | 0.0000000 | 129.7838549 | ||||||
| cm-1 | 1171.0 | 940.1 | 230.8 | ||||||||
| eV | -3522.016 | 0.145 | -3521.871 | -3531.598 | 0.117 | -3531.482 | 9.582 | 0.029 | 9.611 | 0.000 | 3531.598 |