![]() |
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 | -138.7226340 | -139.0418488 | 0.3192148 | 0.0000000 | 139.0418488 | ||||||
cm-1 | 5700.5 | 5203.1 | 497.4 | ||||||||
eV | -3774.835 | 0.707 | -3774.128 | -3783.521 | 0.645 | -3782.876 | 8.686 | 0.062 | 8.748 | 0.000 | 3783.521 |