![]() |
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 | -12.3452643 | -12.7476807 | 0.4024163 | 0.0000000 | 12.7476807 | ||||||
cm-1 | 567.6 | 568.6 | -1.0 | ||||||||
eV | -335.932 | 0.070 | -335.861 | -346.882 | 0.070 | -346.812 | 10.950 | -0.000 | 10.950 | 0.000 | 346.882 |