![]() |
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 | -896.5850668 | -897.0183433 | 0.4332765 | 0.0000000 | 897.0183433 | ||||||
cm-1 | 2636.4 | 2157.6 | 478.8 | ||||||||
eV | -24397.320 | 0.327 | -24396.994 | -24409.110 | 0.268 | -24408.843 | 11.790 | 0.059 | 11.849 | 0.000 | 24409.110 |