![]() |
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 | -15.2807678 | -15.6990424 | 0.4182746 | 0.0000000 | 15.6990424 | ||||||
cm-1 | 1975.2 | 3276.7 | -1301.6 | ||||||||
eV | -415.811 | 0.245 | -415.566 | -427.193 | 0.406 | -426.786 | 11.382 | -0.161 | 11.220 | 0.000 | 427.193 |