![]() |
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 | -15.4103650 | -15.8348893 | 0.4245243 | 0.0000000 | 15.8348893 | ||||||
cm-1 | 1633.8 | 2751.3 | -1117.5 | ||||||||
eV | -419.337 | 0.203 | -419.135 | -430.889 | 0.341 | -430.548 | 11.552 | -0.139 | 11.413 | 0.000 | 430.889 |