![]() |
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 | -896.5424633 | -896.9090423 | 0.3665790 | 0.0000000 | 896.9090423 | ||||||
cm-1 | 3594.2 | 2961.3 | 632.9 | ||||||||
eV | -24396.161 | 0.446 | -24395.715 | -24406.136 | 0.367 | -24405.769 | 9.975 | 0.078 | 10.054 | 0.000 | 24406.136 |