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A hybrid Car-Parrinello QM/MM molecular dynamics simulation has been carriedout for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and1-cyclohexyluracil in deuterochloroform solution at room temperature. Theresulting trajectory is analyzed putting emphasis on the N-H$...$N Hydrogenbond geometry. Using an empirical correlation between the $\NN$-distance andthe fundamental NH-stretching frequency, the time-dependence of this energy gapalong the trajectory is obtained. From the gap-correlation function wedetermine the infrared absorption spectrum using lineshape theory incombination with a multimode oscillator model. The obtained average transitionfrequency and the width of the spectrum is in reasonable agreement with recentexperimental data.

QM/MM Lineshape Simulation of the Hydrogen-bonded Uracil NH Stretching Vibration of the Adenine:Uracil Base Pair in CDCl$_3$