![]() |
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 | -212.6183604 | -212.9612191 | 0.3428588 | 0.0000000 | 212.9612191 | ||||||
cm-1 | 2398.5 | 1773.0 | 625.5 | ||||||||
eV | -5785.640 | 0.297 | -5785.342 | -5794.969 | 0.220 | -5794.750 | 9.330 | 0.078 | 9.407 | 0.000 | 5794.969 |