![]() |
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 | -299.6650823 | -299.9576401 | 0.2925578 | -299.6640188 | 0.2936213 | ||||||
cm-1 | 400.0 | 356.4 | 43.6 | ||||||||
eV | -8154.302 | 0.050 | -8154.252 | -8162.262 | 0.044 | -8162.218 | 7.961 | 0.005 | 7.966 | -8154.273 | 7.990 |