![]() |
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 | -16.9136013 | -17.2062167 | 0.2926154 | 0.0000000 | 17.2062167 | ||||||
cm-1 | 232.1 | 184.2 | 47.9 | ||||||||
eV | -460.242 | 0.029 | -460.214 | -468.205 | 0.023 | -468.182 | 7.962 | 0.006 | 7.968 | 0.000 | 468.205 |