![]() |
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 | -138.7671369 | -139.0954690 | 0.3283321 | 0.0000000 | 139.0954690 | ||||||
cm-1 | 5943.3 | 5431.0 | 512.3 | ||||||||
eV | -3776.046 | 0.737 | -3775.309 | -3784.980 | 0.673 | -3784.307 | 8.934 | 0.064 | 8.998 | 0.000 | 3784.980 |