![]() |
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 | -7.7401353 | -8.0124091 | 0.2722738 | 0.0000000 | 8.0124091 | ||||||
cm-1 | 67.3 | 680.6 | -613.4 | ||||||||
eV | -210.620 | 0.008 | -210.611 | -218.029 | 0.084 | -217.944 | 7.409 | -0.076 | 7.333 | 0.000 | 218.029 |