![]() |
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 | -0.6027938 | -1.1682989 | 0.5655051 | 0.0000000 | 1.1682989 | ||||||
cm-1 | 1062.9 | 2237.0 | -1174.1 | ||||||||
eV | -16.403 | 0.132 | -16.271 | -31.791 | 0.277 | -31.514 | 15.388 | -0.146 | 15.243 | 0.000 | 31.791 |