![]() |
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 | -15.3992865 | -15.8211279 | 0.4218414 | 0.0000000 | 15.8211279 | ||||||
cm-1 | 1712.7 | 2774.3 | -1061.6 | ||||||||
eV | -419.036 | 0.212 | -418.824 | -430.515 | 0.344 | -430.171 | 11.479 | -0.132 | 11.347 | 0.000 | 430.515 |