![]() |
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 | -94.0144000 | -94.3697838 | 0.3553838 | 0.0000000 | 94.3697838 | ||||||
cm-1 | 7667.6 | 8362.2 | -694.6 | ||||||||
eV | -2558.262 | 0.951 | -2557.311 | -2567.932 | 1.037 | -2566.896 | 9.670 | -0.086 | 9.584 | 0.000 | 2567.932 |