![]() |
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 | -94.2684324 | -94.6272150 | 0.3587826 | -94.2405118 | 0.3867032 | ||||||
cm-1 | 7675.9 | 8441.4 | -765.5 | ||||||||
eV | -2565.175 | 0.952 | -2564.223 | -2574.937 | 1.047 | -2573.891 | 9.763 | -0.095 | 9.668 | -2564.415 | 10.523 |