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Fig. 3

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Two energetically equivalent Out configurations and the higher energy In configuration are identified by their configuration number n = 1, 2, and 3. The two deuterium atoms are labelled 2 and 3. Furthermore, is the equilibrium value of the torsional angle . Configuration 3, displaying a symmetry plane and therefore having Cs symmetry, is approximately 14.487 cm−1 above Configurations 1 and 2 with C1 symmetry.

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