![]() |
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 | -75.8059018 | -76.2402866 | 0.4343848 | 0.0000000 | 76.2402866 | ||||||
cm-1 | 4182.3 | 4750.8 | -568.5 | ||||||||
eV | -2062.783 | 0.519 | -2062.265 | -2074.604 | 0.589 | -2074.015 | 11.820 | -0.070 | 11.750 | 0.000 | 2074.604 |