![]() |
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 | -895.2583069 | -895.6025914 | 0.3442845 | 0.0000000 | 895.6025914 | ||||||
cm-1 | 3725.6 | 3288.5 | 437.1 | ||||||||
eV | -24361.217 | 0.462 | -24360.756 | -24370.586 | 0.408 | -24370.178 | 9.368 | 0.054 | 9.423 | 0.000 | 24370.586 |