![]() |
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 | -353.5958902 | -354.0480404 | 0.4521502 | 0.0000000 | 354.0480404 | ||||||
cm-1 | 2547.6 | 2199.8 | 347.8 | ||||||||
eV | -9621.833 | 0.316 | -9621.518 | -9634.137 | 0.273 | -9633.864 | 12.304 | 0.043 | 12.347 | 0.000 | 9634.137 |