![]() |
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 | -129.7707357 | -130.1392649 | 0.3685292 | 0.0000000 | 130.1392649 | ||||||
cm-1 | 3628.8 | 2970.0 | 658.8 | ||||||||
eV | -3531.241 | 0.450 | -3530.791 | -3541.269 | 0.368 | -3540.901 | 10.028 | 0.082 | 10.110 | 0.000 | 3541.269 |