![]() |
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 | -243.2806323 | -243.6334191 | 0.3527869 | 0.0000000 | 243.6334191 | ||||||
cm-1 | 2723.3 | 3775.5 | -1052.2 | ||||||||
eV | -6620.003 | 0.338 | -6619.665 | -6629.602 | 0.468 | -6629.134 | 9.600 | -0.130 | 9.469 | 0.000 | 6629.602 |