![]() |
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 | -896.4141592 | -896.7540034 | 0.3398442 | 0.0000000 | 896.7540034 | ||||||
cm-1 | 3839.8 | 3277.5 | 562.3 | ||||||||
eV | -24392.670 | 0.476 | -24392.194 | -24401.917 | 0.406 | -24401.511 | 9.248 | 0.070 | 9.317 | 0.000 | 24401.917 |