![]() |
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 | -75.0626122 | -75.3491143 | 0.2865021 | 0.0000000 | 75.3491143 | ||||||
cm-1 | 615.9 | 836.4 | -220.4 | ||||||||
eV | -2042.558 | 0.076 | -2042.481 | -2050.354 | 0.104 | -2050.250 | 7.796 | -0.027 | 7.769 | 0.000 | 2050.354 |