| |
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 | -15.3770119 | -15.7730035 | 0.3959916 | 0.0000000 | 15.7730035 | ||||||
| cm-1 | 1664.1 | 2663.0 | -998.8 | ||||||||
| eV | -418.430 | 0.206 | -418.223 | -429.205 | 0.330 | -428.875 | 10.775 | -0.124 | 10.652 | 0.000 | 429.205 |