![]() |
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 | -138.5719941 | -138.9000900 | 0.3280959 | 0.0000000 | 138.9000900 | ||||||
cm-1 | 5734.8 | 5256.0 | 478.8 | ||||||||
eV | -3770.736 | 0.711 | -3770.025 | -3779.664 | 0.652 | -3779.012 | 8.928 | 0.059 | 8.987 | 0.000 | 3779.664 |