Abstract
Second-order M o ̷ ller–Plesset, perturbation theory geometry optimizations for AlH 4 −, SiH 4, PH 3, H 2S and HCl are performed with [11s8p2d1f] and [11s8p3d2flg] basis sets of contracted Gaussian-type functions. The electric dipole, quadrupole and octopole moments of these molecules are computed at the predicted equilibrium geometries. The calculated geometries and multipole moments are in fine agreement with previous experimental results and computations of sufficiently high quality. The calculated octopole moments are the only ones available for three of these molecules.
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