Fault in PM6 in Prediction of S-Cl(-) non-bonding interaction
PM6 predicts that Cl(-) and S=CH2 should combine to form a
Cl(-)-S=CH2
complex, with the C-S and S-Cl(-) distances1.6 and 2.3 Angstroms, respectively. B3LYP and
other high-level methods predict the Cl-S distance to be much larger.