![]() |
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 | -76.1705775 | -76.5951153 | 0.4245377 | 0.0000000 | 76.5951153 | ||||||
cm-1 | 3062.4 | 3066.8 | -4.4 | ||||||||
eV | -2072.707 | 0.380 | -2072.327 | -2084.259 | 0.380 | -2083.879 | 11.552 | -0.001 | 11.552 | 0.000 | 2084.259 |