![]() |
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 | -892.0836698 | -892.4779320 | 0.3942622 | 0.0000000 | 892.4779320 | ||||||
cm-1 | 3105.5 | 2578.5 | 527.0 | ||||||||
eV | -24274.831 | 0.385 | -24274.446 | -24285.560 | 0.320 | -24285.240 | 10.728 | 0.065 | 10.794 | 0.000 | 24285.560 |