Abstract

The author reports finite-field self-consistent field (SCF) and fourth-order many-body perturbation theory (MP4) calculations of the electric quadrupole and hexadecapole moments of ethane (H2C2CH2). The best values (with C2C on the z axis and the molecule on the xz plane) are Theta xx1.197, Theta yy=-2.434 and Theta zz=1.237 ea02. Phi xxxx=-14.91, Phi yyyy=16.89 and Phi zzzz=-14.05 ea04.

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