![]() |
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 | -895.8829871 | -896.2300632 | 0.3470760 | 0.0000000 | 896.2300632 | ||||||
cm-1 | 3873.1 | 3374.4 | 498.8 | ||||||||
eV | -24378.216 | 0.480 | -24377.736 | -24387.660 | 0.418 | -24387.242 | 9.444 | 0.062 | 9.506 | 0.000 | 24387.660 |