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Our simulated spectra are in good agreement with previous experimental reports of these ammonium-centered clusters and provide a better understanding of the vibrational coupling behind the spectra of the NH stretching region.Levoglucosenone ((1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one or LGO; CAS number 37112-31-5) is an extensively studied biomass based chemical and its potential applications in organic synthesis, as well as in the extraction of various natural substances, have been established; therefore developing dependa