![]() |
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 | -94.2593166 | -94.6200292 | 0.3607126 | 0.0000000 | 94.6200292 | ||||||
cm-1 | 7650.9 | 8446.9 | -796.0 | ||||||||
eV | -2564.926 | 0.949 | -2563.978 | -2574.742 | 1.047 | -2573.695 | 9.815 | -0.099 | 9.717 | 0.000 | 2574.742 |