![]() |
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 | -75.8098341 | -76.1775465 | 0.3677124 | -75.6396868 | 0.5378597 | ||||||
cm-1 | 3075.8 | 3036.0 | 39.8 | ||||||||
eV | -2062.890 | 0.381 | -2062.509 | -2072.896 | 0.376 | -2072.520 | 10.006 | 0.005 | 10.011 | -2058.261 | 14.636 |