![]() |
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 | -3.3720398 | -3.7581229 | 0.3860831 | 0.0000000 | 3.7581229 | ||||||
cm-1 | 2828.6 | 3777.6 | -949.0 | ||||||||
eV | -91.758 | 0.351 | -91.407 | -102.264 | 0.468 | -101.795 | 10.506 | -0.118 | 10.388 | 0.000 | 102.264 |