![]() |
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 | -15.3988160 | -15.8147417 | 0.4159257 | 0.0000000 | 15.8147417 | ||||||
cm-1 | 1718.8 | 2668.8 | -950.1 | ||||||||
eV | -419.023 | 0.213 | -418.810 | -430.341 | 0.331 | -430.010 | 11.318 | -0.118 | 11.200 | 0.000 | 430.341 |