![]() |
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 | -15.4135727 | -15.8397193 | 0.4261466 | 0.0000000 | 15.8397193 | ||||||
cm-1 | 1743.5 | 2842.3 | -1098.8 | ||||||||
eV | -419.425 | 0.216 | -419.208 | -431.021 | 0.352 | -430.668 | 11.596 | -0.136 | 11.460 | 0.000 | 431.021 |