![]() |
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 | -48.8301412 | -49.0880893 | 0.2579480 | 0.0000000 | 49.0880893 | ||||||
cm-1 | 190.0 | 426.9 | -237.0 | ||||||||
eV | -1328.736 | 0.024 | -1328.712 | -1335.755 | 0.053 | -1335.702 | 7.019 | -0.029 | 6.990 | 0.000 | 1335.755 |