![]() |
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 | -169.4394288 | -169.8291322 | 0.3897034 | 0.0000000 | 169.8291322 | ||||||
cm-1 | 10442.2 | 10870.3 | -428.1 | ||||||||
eV | -4610.681 | 1.295 | -4609.387 | -4621.286 | 1.348 | -4619.938 | 10.604 | -0.053 | 10.551 | 0.000 | 4621.286 |