![]() |
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 | -15.4264956 | -15.8556061 | 0.4291105 | 0.0000000 | 15.8556061 | ||||||
cm-1 | 1969.1 | 2763.6 | -794.5 | ||||||||
eV | -419.776 | 0.244 | -419.532 | -431.453 | 0.343 | -431.110 | 11.677 | -0.099 | 11.578 | 0.000 | 431.453 |