![]() |
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 | -94.1494759 | -94.5158199 | 0.3663440 | 0.0000000 | 94.5158199 | ||||||
cm-1 | 7964.1 | 8753.9 | -789.8 | ||||||||
eV | -2561.938 | 0.987 | -2560.950 | -2571.906 | 1.085 | -2570.821 | 9.969 | -0.098 | 9.871 | 0.000 | 2571.906 |