![]() |
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 | -169.3641076 | -169.7086610 | 0.3445534 | 0.0000000 | 169.7086610 | ||||||
cm-1 | 10187.7 | 10875.3 | -687.5 | ||||||||
eV | -4608.632 | 1.263 | -4607.369 | -4618.008 | 1.348 | -4616.659 | 9.376 | -0.085 | 9.291 | 0.000 | 4618.008 |