The study of Pseudo Jahn-Teller effect on the deformation of SO2 molecule structural

The structural properties of SO2 have been examined by means of B3LYP/Def2-TZVPP levelof theory interpretations. The results obtained showed the expected ground state structure forcompound is linear.(D∞h symmetry) .The distortion of the high-symmetry configuration ofcompound is due to the pseudo Jahn-Teller effect(PJTE), which is the only source ofinstability of high-symmetry configuration in nondegenerate states.The distortion is due tothe mixing of the ground g  and excited u  states. [1]