![]() |
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 | -94.2755002 | -94.6357886 | 0.3602884 | 0.0000000 | 94.6357886 | ||||||
cm-1 | 7629.7 | 8425.5 | -795.8 | ||||||||
eV | -2565.367 | 0.946 | -2564.421 | -2575.171 | 1.045 | -2574.126 | 9.804 | -0.099 | 9.705 | 0.000 | 2575.171 |