Quadrupole and Octopole Moments of Heteroaromatic Rings

Ab initio, second-order, Møller−Plesset perturbation theory calculations of quadrupole and octopole moments are reported for 36 different 6π-electron monocycles:  benzene, 12 azines, pyrrole, 9 azoles, furan, 9 oxazoles, borazine, boroxine, and 1,2,4,3,5-trioxadiborole. Agreement with the limited experimental and computational data available is generally good.