![]() |
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 | -15.4696099 | -15.8943127 | 0.4247029 | 0.0000000 | 15.8943127 | ||||||
cm-1 | 1788.8 | 2902.2 | -1113.5 | ||||||||
eV | -420.949 | 0.222 | -420.728 | -432.506 | 0.360 | -432.146 | 11.557 | -0.138 | 11.419 | 0.000 | 432.506 |