![]() |
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 | -15.4530052 | -15.8707964 | 0.4177912 | 0.0000000 | 15.8707964 | ||||||
cm-1 | 1855.6 | 2753.7 | -898.0 | ||||||||
eV | -420.498 | 0.230 | -420.268 | -431.866 | 0.341 | -431.525 | 11.369 | -0.111 | 11.257 | 0.000 | 431.866 |