![]() |
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 | -114.0494268 | -114.4430866 | 0.3936597 | 0.0000000 | 114.4430866 | ||||||
cm-1 | 5276.5 | 5868.6 | -592.0 | ||||||||
eV | -3103.443 | 0.654 | -3102.789 | -3114.155 | 0.728 | -3113.427 | 10.712 | -0.073 | 10.639 | 0.000 | 3114.155 |