![]() |
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 | -297.1365086 | -297.4158090 | 0.2793004 | -297.1356957 | 0.2801133 | ||||||
cm-1 | 398.5 | 361.1 | 37.4 | ||||||||
eV | -8085.496 | 0.049 | -8085.446 | -8093.096 | 0.045 | -8093.051 | 7.600 | 0.005 | 7.605 | -8085.473 | 7.622 |