![]() |
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 | -138.7385727 | -139.0673593 | 0.3287866 | 0.0000000 | 139.0673593 | ||||||
cm-1 | 5777.8 | 5261.7 | 516.1 | ||||||||
eV | -3775.269 | 0.716 | -3774.552 | -3784.215 | 0.652 | -3783.563 | 8.947 | 0.064 | 9.011 | 0.000 | 3784.215 |