![]() |
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 | -91.9609263 | -92.4717079 | 0.5107816 | 0.0000000 | 92.4717079 | ||||||
cm-1 | 972.6 | 1016.4 | -43.7 | ||||||||
eV | -2502.384 | 0.121 | -2502.263 | -2516.283 | 0.126 | -2516.157 | 13.899 | -0.005 | 13.894 | 0.000 | 2516.283 |