![]() |
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 | -137.8282283 | -138.1539411 | 0.3257128 | 0.0000000 | 138.1539411 | ||||||
cm-1 | 5674.6 | 5151.3 | 523.3 | ||||||||
eV | -3750.497 | 0.704 | -3749.793 | -3759.360 | 0.639 | -3758.721 | 8.863 | 0.065 | 8.928 | 0.000 | 3759.360 |