![]() |
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 | -131.3698161 | -131.6835204 | 0.3137043 | 0.0000000 | 131.6835204 | ||||||
cm-1 | 9747.9 | 8357.0 | 1390.9 | ||||||||
eV | -3574.754 | 1.209 | -3573.546 | -3583.291 | 1.036 | -3582.255 | 8.536 | 0.172 | 8.709 | 0.000 | 3583.291 |