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The Raman activities of a variety of small molecules, H 2 O, H 2 S, CO 2 , NH 3 , H 2 CO, CH 3 OH, CH 4 , C 2 H 2 , and are calculated using time dependent density functional theory. The geometric derivatives of C 2 H 4 C 2 H 6, the static polarisability are obtained using self-consistent Ðeld (SCF), second order theory and MÔllerÈPlesset DFT, the latter using a local density approximation, a gradient corrected functional, PBE, and the hybrid functionals, B3LYP, PBE0, and B97. Derivatives of the dynamic polarisability are obtained using both SCF and the same density functionals as were used for the static case. It is found that the e †ects of electron correlation are signiÐcant, as is the frequency dependence.

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