![]() |
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 | -169.9335879 | -170.3400940 | 0.4065061 | 0.0000000 | 170.3400940 | ||||||
cm-1 | 10592.8 | 10523.8 | 69.0 | ||||||||
eV | -4624.128 | 1.313 | -4622.815 | -4635.190 | 1.305 | -4633.885 | 11.062 | 0.009 | 11.070 | 0.000 | 4635.190 |