![]() |
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 | -94.0319857 | -94.4019670 | 0.3699813 | 0.0000000 | 94.4019670 | ||||||
cm-1 | 7969.0 | 8471.2 | -502.3 | ||||||||
eV | -2558.740 | 0.988 | -2557.752 | -2568.808 | 1.050 | -2567.758 | 10.068 | -0.062 | 10.005 | 0.000 | 2568.808 |