![]() |
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 | -138.6919559 | -139.0295963 | 0.3376404 | 0.0000000 | 139.0295963 | ||||||
cm-1 | 5706.0 | 5209.8 | 496.2 | ||||||||
eV | -3774.000 | 0.707 | -3773.293 | -3783.188 | 0.646 | -3782.542 | 9.188 | 0.062 | 9.249 | 0.000 | 3783.188 |