![]() |
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 | -163.6854927 | -164.0889232 | 0.4034305 | 0.0000000 | 164.0889232 | ||||||
cm-1 | 1593.2 | 2028.1 | -434.9 | ||||||||
eV | -4454.109 | 0.198 | -4453.911 | -4465.087 | 0.251 | -4464.835 | 10.978 | -0.054 | 10.924 | 0.000 | 4465.087 |