Ab initio calculations of static dipole polarizabilities and Cauchy moments for the halomethanes, CH_mCl_nF_4−m−n

Coupled-cluster calculations of the static electronic dipole polarizabilities and Cauchy moments are reported for all 15 halomethanes CH_mCl_nF_4−m−n. Comparison with available experimental static polarizabilities is made. Excluding three experimental values which seem to be in error, the mean absolute deviation between the CCSD(T) values and experiment is a rather satisfactory 0.5 atomic units for the remaining 11 halomethanes. More experimental work is needed for the polarizabilities of CHCl₂F, CCl₃F, and CH₂Cl₂. Additivity approximations work moderately well for α = S(−2) and progressively less well for S(−2k − 2) as k increases.