![]() |
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 | -188.7983452 | -189.0892356 | 0.2908904 | 0.0000000 | 189.0892356 | ||||||
cm-1 | 4593.0 | 4504.1 | 89.0 | ||||||||
eV | -5137.464 | 0.569 | -5136.895 | -5145.380 | 0.558 | -5144.821 | 7.916 | 0.011 | 7.927 | 0.000 | 5145.380 |