![]() |
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 | -128.9138370 | -129.2681681 | 0.3543311 | 0.0000000 | 129.2681681 | ||||||
cm-1 | 2902.0 | 2732.9 | 169.1 | ||||||||
eV | -3507.924 | 0.360 | -3507.564 | -3517.566 | 0.339 | -3517.227 | 9.642 | 0.021 | 9.663 | 0.000 | 3517.566 |