![]() |
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 | -75.4416173 | -75.8594544 | 0.4178372 | 0.0000000 | 75.8594544 | ||||||
cm-1 | 675.4 | 921.3 | -245.9 | ||||||||
eV | -2052.871 | 0.084 | -2052.787 | -2064.241 | 0.114 | -2064.127 | 11.370 | -0.030 | 11.339 | 0.000 | 2064.241 |