![]() |
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 | -2077.1731969 | -2077.4614182 | 0.2882213 | 0.0000000 | 2077.4614182 | ||||||
cm-1 | 4930.6 | 4718.4 | 212.3 | ||||||||
eV | -56522.757 | 0.611 | -56522.146 | -56530.600 | 0.585 | -56530.015 | 7.843 | 0.026 | 7.869 | 0.000 | 56530.600 |