The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of the title compound have been investigated experimentally and theoretically using Gaussian09 software package. The geometry optimization has been carried out using HF and DFT levels. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands obtained in IR and Raman spectroscopy of the studied molecule. The calculated infrared intensities and Raman activities are reported. The calculated first hyperpolarizability value shows that the title compound is suitable for nonlinear optical studies. From the HOMO and LUMO analysis, the hardness value of the title compound is 2.868 eV and we conclude that the title compound belongs to hard material.