Molecular dipole moments were calculated using several different combinations of method and basis set: HF/6-31G*, HF/aug-cc-pV(T+d)Z, B3LYP/aug-cc-pV(T+d)Z, and PW6B95 31 /def2-TZVPD. In addition, for the B3LYP and PW6B95 combinations we calculated dipole moments using PCM models of benzene (ε = 2.25) and water (ε = 78.39), as implemented by the CPCM method using UFF atomic radii in the PCMSolver module.