![]() |
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 | -153.0400376 | -153.4266825 | 0.3866449 | 0.0000000 | 153.4266825 | ||||||
cm-1 | 11443.6 | 11836.4 | -392.8 | ||||||||
eV | -4164.431 | 1.419 | -4163.012 | -4174.952 | 1.468 | -4173.485 | 10.521 | -0.049 | 10.472 | 0.000 | 4174.952 |