![]() |
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 | -857.7176413 | -858.0678145 | 0.3501733 | 0.0000000 | 858.0678145 | ||||||
cm-1 | 327.6 | 268.4 | 59.2 | ||||||||
eV | -23339.684 | 0.041 | -23339.643 | -23349.213 | 0.033 | -23349.179 | 9.529 | 0.007 | 9.536 | 0.000 | 23349.213 |