Vibrational spectra of berberine and their interpretation by means of   DFT quantum-mechanical calculations
  Experimental vibrational spectra (Raman and infrared absorption) of berberine are obtained at room temperature. The vibrational spectra of berberine are calculated by the DFT method at the B3LYP/6-311++G(d,p) level. Based on the correlation between experimental and calculated data, the vibrational spectrum is interpreted in the frequency range of 800-1700 cm-1 in detail. The experimental and calculated spectra of intramolecular vibrations are found to correlate closely 
N. Bashmakova, S. Kutovyy, R. Zhurakivsky, D. Hovorun, V.Yashchuk
physics.optics