![]() |
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 | -323.3531124 | -323.9147622 | 0.5616499 | 0.0000000 | 323.9147622 | ||||||
cm-1 | 2107.4 | 2566.9 | -459.5 | ||||||||
eV | -8798.886 | 0.261 | -8798.624 | -8814.169 | 0.318 | -8813.851 | 15.283 | -0.057 | 15.226 | 0.000 | 8814.169 |