![]() |
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 | -342.1433271 | -342.5102968 | 0.3669698 | 0.0000000 | 342.5102968 | ||||||
cm-1 | 2879.0 | 2852.2 | 26.8 | ||||||||
eV | -9310.193 | 0.357 | -9309.836 | -9320.179 | 0.354 | -9319.826 | 9.986 | 0.003 | 9.989 | 0.000 | 9320.179 |