Influence of Parity Violating Weak Nuclear Potentials on Vibrational and Rotational Frequencies in Chiral Molecules

We study the effect of parity violation on the vibrational and rotational frequencies of CHBrClF. We report the parity violating potentials as a function of reduced normal coordinates for all nine internal vibrational modes ω₁ to ω₉, using our new, accurate multiconfigurational-linear response (RPA and complete-active-space self-consistent field) approach. All modes ωᵢ show a strongly mode dependent relative shift Δₚᵥωᵢ/ωᵢ (between 0.08×10^-16 and 13.3×10^-16, much smaller than all previous experimental tests could detect, including the most recent ones). The results are discussed in relation to other tests of parity violation.