![]() |
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 | -139.3007782 | -139.7578557 | 0.4570775 | 0.0000000 | 139.7578557 | ||||||
cm-1 | 7053.8 | 8265.8 | -1212.0 | ||||||||
eV | -3790.567 | 0.875 | -3789.692 | -3803.005 | 1.025 | -3801.980 | 12.438 | -0.150 | 12.287 | 0.000 | 3803.005 |