![]() |
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 | -75.0655711 | -75.4695666 | 0.4039955 | 0.0000000 | 75.4695666 | ||||||
cm-1 | 543.0 | 883.7 | -340.6 | ||||||||
eV | -2042.638 | 0.067 | -2042.571 | -2053.631 | 0.110 | -2053.522 | 10.993 | -0.042 | 10.951 | 0.000 | 2053.631 |