![]() |
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 | -138.6539001 | -138.9712322 | 0.3173322 | 0.0000000 | 138.9712322 | ||||||
cm-1 | 5719.0 | 5271.3 | 447.7 | ||||||||
eV | -3772.964 | 0.709 | -3772.255 | -3781.600 | 0.654 | -3780.946 | 8.635 | 0.056 | 8.691 | 0.000 | 3781.600 |