![]() |
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 | -163.7658246 | -164.1711227 | 0.4052981 | 0.0000000 | 164.1711227 | ||||||
cm-1 | 1560.5 | 1991.4 | -431.0 | ||||||||
eV | -4456.295 | 0.193 | -4456.101 | -4467.323 | 0.247 | -4467.077 | 11.029 | -0.053 | 10.975 | 0.000 | 4467.323 |