![]() |
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 | -78.0433404 | -78.4215483 | 0.3782080 | 0.0000000 | 78.4215483 | ||||||
cm-1 | 10365.3 | 10699.2 | -333.9 | ||||||||
eV | -2123.667 | 1.285 | -2122.382 | -2133.959 | 1.327 | -2132.632 | 10.292 | -0.041 | 10.250 | 0.000 | 2133.959 |