![]() |
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 | -169.3522053 | -169.6939225 | 0.3417173 | 0.0000000 | 169.6939225 | ||||||
cm-1 | 10286.9 | 10926.5 | -639.6 | ||||||||
eV | -4608.308 | 1.275 | -4607.032 | -4617.606 | 1.355 | -4616.252 | 9.299 | -0.079 | 9.219 | 0.000 | 4617.606 |