![]() |
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 | -138.4718513 | -138.7845265 | 0.3126752 | 0.0000000 | 138.7845265 | ||||||
cm-1 | 5722.1 | 5309.1 | 413.0 | ||||||||
eV | -3768.011 | 0.709 | -3767.301 | -3776.519 | 0.658 | -3775.861 | 8.508 | 0.051 | 8.560 | 0.000 | 3776.519 |