Knowledge Bank

calculations of transition moments are displaced nuclear coordinates (Q) are performed for benzene, At every Q, the sum of the separately calculated Herzberg-Teller (H-T) components from the ground and the excited states is found to be equal to the computed total transition moment for each vibronically active normal mode in the $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}B2u$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}B1u$ electronic transitions. The usually neglected ground state term is seen to be significantly weaker than the excited state component. The Q dependence of these transition moments is determined to be nearly linear, even to twice the root-mean-square displacement, although in some cases, higher order effects are found The vibronic (H-T) CNDO/S oscillator strengths are presented.