![]() |
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 | -405.4125987 | -405.6993378 | 0.2867391 | 0.0000000 | 405.6993378 | ||||||
cm-1 | 155.6 | 267.0 | -111.4 | ||||||||
eV | -11031.838 | 0.019 | -11031.819 | -11039.640 | 0.033 | -11039.607 | 7.803 | -0.014 | 7.789 | 0.000 | 11039.640 |