Acetochlor is one of the most used herbicides in China.Its metabolites and itself both have potential harm to the human body.It can be distinguished from plants by identifying its vibration information.In this article,the structure of acetochlor was optimized and its Raman spectrum was calculated with the three-parameter hybrid functional B3LYP of the density functional theory(DFT) and the Hartree-Fock(HF) algorithm respectively both based on the 6-311G++ (d,p) level to obtain the vibration information in theory.As is shown in the calculation results,the peak positions calculated are slightly different for the different methods.The Raman spectrum of the analytical reagent of acetochlor was collected by the three-stage grating confocal micro-Raman spectrometer-TriVista 555CRS produced by PI company in experiment.The experimental Raman spectrum is seriously interfered by the fluorescence peaks,which makes the difference of linear type between the experimental result and the theoretical calculation result.For this problem,we have the experimental Raman spectrum defluorinated.And for the error of the theoretical result in frequency,the correction factors are used to correct the two methods.After the above steps,it was shown that the experimental result were basically consistent with the theoretical calculation result,that the vibrational spectra of the 500~3300 cm-1 interval were assigned.The work of this paper provides a theoretical basis for the residue detection of acetochlor.