Speaking of HPLC, does the following make sense to you guys?

The vibrational properties of the bee-killer imidacloprid insecticide: A molecular description

For this purpose, high performance liquid chromatography (HPLC) is usually
employed; infrared and Raman spectroscopy, however, are simple and viable techniques that can be adapted
to portable devices for field application. In this communication, state-of-the-art quantum level simulations
were used to predict the infrared and Raman spectra of the most stable conformer of imidacloprid. Four molecular
geometries were investigated in vacuum and solvated within the Density Functional Theory (DFT) approach
employing the hybrid meta functional M06-2X and the hybrid functional B3LYP. TheM062X/PCMmodel proved
to be the best to predict structural features, while the values of harmonic vibrational frequencies were predicted
more accurately using the B3LYP functional.

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 185 (2017) 245–255

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