![]() |
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 | -130.0006742 | -130.3653969 | 0.3647227 | 0.0000000 | 130.3653969 | ||||||
cm-1 | 2863.5 | 2939.6 | -76.1 | ||||||||
eV | -3537.498 | 0.355 | -3537.143 | -3547.423 | 0.364 | -3547.058 | 9.925 | -0.009 | 9.915 | 0.000 | 3547.423 |