![]() |
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 | -76.8144415 | -77.2230161 | 0.4085746 | 0.0000000 | 77.2230161 | ||||||
cm-1 | 5513.4 | 5707.5 | -194.2 | ||||||||
eV | -2090.227 | 0.684 | -2089.544 | -2101.345 | 0.708 | -2100.637 | 11.118 | -0.024 | 11.094 | 0.000 | 2101.345 |