![]() |
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 | -22.1731774 | -22.3101003 | 0.1369229 | 0.0000000 | 22.3101003 | ||||||
cm-1 | 367.4 | 188.2 | 179.1 | ||||||||
eV | -603.363 | 0.046 | -603.317 | -607.089 | 0.023 | -607.065 | 3.726 | 0.022 | 3.748 | 0.000 | 607.089 |