![]() |
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 | -342.1083082 | -342.4775518 | 0.3692437 | 0.0000000 | 342.4775518 | ||||||
cm-1 | 2693.3 | 2667.0 | 26.4 | ||||||||
eV | -9309.240 | 0.334 | -9308.907 | -9319.288 | 0.331 | -9318.957 | 10.048 | 0.003 | 10.051 | 0.000 | 9319.288 |