| |
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 | -149.2020947 | -149.5896691 | 0.3875744 | 0.0000000 | 149.5896691 | ||||||
| cm-1 | 2501.6 | 2685.8 | -184.2 | ||||||||
| eV | -4059.995 | 0.310 | -4059.685 | -4070.542 | 0.333 | -4070.209 | 10.546 | -0.023 | 10.524 | 0.000 | 4070.542 |