Counterpoise corrected geometries of hydrated complexes

We have calculated the equilibrium geometries of the hydrated complexes, H2O center dot CO2, H2O center dot CS2,H2O center dot OCS, H2O center dot SO2, and H2O center dot SO3, in the electronic ground state. We have used the coupled cluster with singles, doubles, and perturbative triples ab initio method with a correlation consistent augmented triple-zeta basis set. We find that a counterpoise corrected optimization scheme is important for an accurate description of the geometries. These high level ab initio calculated geometries are of comparable quality to those obtained experimentally. (c) 2006 American Institute of Physics.