![]() |
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 | -138.7325929 | -139.0567727 | 0.3241798 | 0.0000000 | 139.0567727 | ||||||
cm-1 | 5747.5 | 5258.8 | 488.8 | ||||||||
eV | -3775.106 | 0.713 | -3774.393 | -3783.927 | 0.652 | -3783.275 | 8.821 | 0.061 | 8.882 | 0.000 | 3783.927 |