![]() |
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 | -138.5011155 | -138.8215795 | 0.3204641 | 0.0000000 | 138.8215795 | ||||||
cm-1 | 6092.8 | 5596.7 | 496.0 | ||||||||
eV | -3768.807 | 0.755 | -3768.052 | -3777.527 | 0.694 | -3776.833 | 8.720 | 0.061 | 8.782 | 0.000 | 3777.527 |