![]() |
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 | -77.9402601 | -78.3145980 | 0.3743378 | 0.0000000 | 78.3145980 | ||||||
cm-1 | 10362.9 | 10720.3 | -357.4 | ||||||||
eV | -2120.862 | 1.285 | -2119.577 | -2131.049 | 1.329 | -2129.719 | 10.186 | -0.044 | 10.142 | 0.000 | 2131.049 |