![]() |
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 | -137.9549775 | -138.2743648 | 0.3193873 | 0.0000000 | 138.2743648 | ||||||
cm-1 | 5685.5 | 5164.9 | 520.5 | ||||||||
eV | -3753.946 | 0.705 | -3753.241 | -3762.637 | 0.640 | -3761.996 | 8.691 | 0.065 | 8.756 | 0.000 | 3762.637 |