![]() |
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 | -957.5662873 | -957.8698278 | 0.3035405 | 0.0000000 | 957.8698278 | ||||||
cm-1 | 3912.8 | 3531.2 | 381.6 | ||||||||
eV | -26056.704 | 0.485 | -26056.219 | -26064.964 | 0.438 | -26064.526 | 8.260 | 0.047 | 8.307 | 0.000 | 26064.964 |