![]() |
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 | -94.2164413 | -94.5594274 | 0.3429861 | 0.0000000 | 94.5594274 | ||||||
cm-1 | 7727.2 | 8412.8 | -685.7 | ||||||||
eV | -2563.760 | 0.958 | -2562.802 | -2573.093 | 1.043 | -2572.050 | 9.333 | -0.085 | 9.248 | 0.000 | 2573.093 |