![]() |
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 | -16.9669225 | -17.3243896 | 0.3574671 | 0.0000000 | 17.3243896 | ||||||
cm-1 | 8054.8 | 8854.1 | -799.4 | ||||||||
eV | -461.693 | 0.999 | -460.695 | -471.421 | 1.098 | -470.323 | 9.727 | -0.099 | 9.628 | 0.000 | 471.421 |