![]() |
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 | -78.1218050 | -78.4970401 | 0.3752351 | 0.0000000 | 78.4970401 | ||||||
cm-1 | 10300.4 | 10747.6 | -447.2 | ||||||||
eV | -2125.802 | 1.277 | -2124.525 | -2136.013 | 1.333 | -2134.681 | 10.211 | -0.055 | 10.155 | 0.000 | 2136.013 |