![]() |
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 | -129.2112459 | -129.5823182 | 0.3710723 | 0.0000000 | 129.5823182 | ||||||
cm-1 | 2713.0 | 2727.0 | -14.0 | ||||||||
eV | -3516.017 | 0.336 | -3515.680 | -3526.114 | 0.338 | -3525.776 | 10.097 | -0.002 | 10.096 | 0.000 | 3526.114 |