![]() |
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 | -169.4837271 | -169.8284642 | 0.3447371 | -169.4730750 | 0.3553892 | ||||||
cm-1 | 10309.1 | 10851.5 | -542.4 | ||||||||
eV | -4611.887 | 1.278 | -4610.609 | -4621.268 | 1.345 | -4619.922 | 9.381 | -0.067 | 9.314 | -4611.597 | 9.671 |