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We have investigated Au atomic contacts in H and D environment by conductance measurement and spectroscopy. A single H or D molecule was found to bridge Au electrodes. In the case of the Au/H/Au junction, symmetric peaks were observed in spectra, while they were not observed for the Au/D/Au junction. The shape of the peaks in spectra originated from the structural change of the single molecule junction induced by the phonon excitation. The structural change could occur only for the Au/H/Au junction. The difference in the two single molecule junctions could be explained by larger zero point energy of Au-H vibration mode than that in the Au/H/Au junction.

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