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Impact of H-bonding (in red) on the vibrational frequencies of the C=O group (in blue). Left: Non-bonded configuration. Center: Canonical H-bonded configuration composed of a single donor and a single acceptor. Right: Over-coordinated H-bonding configuration with two donors and a single acceptor. Consequently, due to H-bonding the vibrational frequencies are related to one another as follows: ν1 > ν2 > ν3.
