IV.D.4. (XII.A.2.) |
Comparison of experiment and theory for aOLiO
Species with coordinate aOLiOSpecies | Name |
Li2O | dilithium oxide |
Li2O+ | dilithium oxide cation |
Click on an entry for a histogram of the difference distribution.
rms differences (calculated - experiment) in degrees
rms differences (calculated - experiment) in degrees
6-31+G** | ||
---|---|---|
Moller Plesset perturbation | MP2=FULL | 10.41 |
6-31+G** |