![]() |
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 | -405.4382227 | -405.7274208 | 0.2891981 | 0.0000000 | 405.7274208 | ||||||
cm-1 | 164.1 | 274.5 | -110.5 | ||||||||
eV | -11032.535 | 0.020 | -11032.515 | -11040.405 | 0.034 | -11040.371 | 7.869 | -0.014 | 7.856 | 0.000 | 11040.405 |