![]() |
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 | -138.3757302 | -138.6859542 | 0.3102239 | 0.0000000 | 138.6859542 | ||||||
cm-1 | 5778.2 | 5337.7 | 440.5 | ||||||||
eV | -3765.395 | 0.716 | -3764.679 | -3773.837 | 0.662 | -3773.175 | 8.442 | 0.055 | 8.496 | 0.000 | 3773.837 |