![]() |
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 | -243.4436071 | -243.8297470 | 0.3861399 | 0.0000000 | 243.8297470 | ||||||
cm-1 | 3052.4 | 3886.6 | -834.2 | ||||||||
eV | -6624.437 | 0.378 | -6624.059 | -6634.945 | 0.482 | -6634.463 | 10.507 | -0.103 | 10.404 | 0.000 | 6634.945 |