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Calculated ξ angular dependence of frequency splitting of the gly CH2 stretching. The dots represent calculated data points, the dashed line is the Fourier fit to the calculated results. Δ(ξ) = 60 − 10.6cos(0.04ξ) − 4.3sin(0.04ξ) − 21.3cos(0.08ξ) − 3.6sin(0.08ξ)
