Fault in PM6 in Prediction of S-O non-bonding interaction
PM6 predicts that Me2O and S=CH2 should combine to form a Me2O-S=CH2
complex, with the C-S and S-O distances1.6 and 2.1 Angstroms, respectively. B3LYP and
other high-level methods predict the O-S distance to be greater than 4.5
Angstroms.