![]() |
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 | -169.9465715 | -170.3570791 | 0.4105076 | 0.0000000 | 170.3570791 | ||||||
cm-1 | 10608.9 | 10537.3 | 71.6 | ||||||||
eV | -4624.481 | 1.315 | -4623.166 | -4635.652 | 1.306 | -4634.345 | 11.170 | 0.009 | 11.179 | 0.000 | 4635.652 |