![]() |
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 | -484.6597713 | -485.0210507 | 0.3612794 | 0.0000000 | 485.0210507 | ||||||
cm-1 | 545.0 | 396.7 | 148.3 | ||||||||
eV | -13188.263 | 0.068 | -13188.196 | -13198.094 | 0.049 | -13198.045 | 9.831 | 0.018 | 9.849 | 0.000 | 13198.094 |