![]() |
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 | -499.6995223 | -500.1160267 | 0.4165044 | 0.0000000 | 500.1160267 | ||||||
cm-1 | 7048.8 | 7974.6 | -925.8 | ||||||||
eV | -13597.516 | 0.874 | -13596.642 | -13608.849 | 0.989 | -13607.860 | 11.334 | -0.115 | 11.219 | 0.000 | 13608.849 |