![]() |
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 | -15.3736272 | -15.8006407 | 0.4270135 | 0.0000000 | 15.8006407 | ||||||
cm-1 | 1772.2 | 2778.3 | -1006.1 | ||||||||
eV | -418.338 | 0.220 | -418.118 | -429.957 | 0.344 | -429.613 | 11.620 | -0.125 | 11.495 | 0.000 | 429.957 |