![]() |
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 | -352.0297432 | -352.4747870 | 0.4450438 | 0.0000000 | 352.4747870 | ||||||
cm-1 | 2607.5 | 2252.0 | 355.5 | ||||||||
eV | -9579.216 | 0.323 | -9578.893 | -9591.327 | 0.279 | -9591.048 | 12.110 | 0.044 | 12.154 | 0.000 | 9591.327 |