Accuracy and Applicability of the New Exchange Correlation Functionals for Reproduction of the Infrared Spectra of Butyl Acrylate and Butyl Methacrylate Molecules
The difference between the scaled and unscaled frequencies calculated at O3LYP/6-31g(d,p) and O3LYP/6-311+g(df,p) level of theory for butyl acrylate molecule. The scaling factors used are 0.9615 and 0.9678.
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