![]() |
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 | -15.4082812 | -15.8341880 | 0.4259068 | 0.0000000 | 15.8341880 | ||||||
cm-1 | 1806.6 | 2783.5 | -976.9 | ||||||||
eV | -419.281 | 0.224 | -419.057 | -430.870 | 0.345 | -430.525 | 11.590 | -0.121 | 11.468 | 0.000 | 430.870 |