![]() |
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 | -895.2203478 | -895.5688422 | 0.3484943 | -895.1530320 | 0.4158102 | ||||||
cm-1 | 3732.9 | 3273.9 | 459.0 | ||||||||
eV | -24360.185 | 0.463 | -24359.722 | -24369.668 | 0.406 | -24369.262 | 9.483 | 0.057 | 9.540 | -24358.353 | 11.315 |