![]() |
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 | -558.3862867 | -558.8274128 | 0.4411261 | -558.3815412 | 0.4458715 | ||||||
cm-1 | 446.6 | 409.6 | 37.0 | ||||||||
eV | -15194.464 | 0.055 | -15194.408 | -15206.467 | 0.051 | -15206.416 | 12.004 | 0.005 | 12.008 | -15194.334 | 12.133 |