Özdemir, Firdevs BanuÖzdemir Öge, TubaSağlam, AdnanÖge, MecitKeskiner, Ali Ünsal2023-02-102023-02-1020221300-9044https://search.trdizin.gov.tr/yayin/detay/1067518https://doi.org/10.18185/erzifbed.899259Geometric structures, bond lengths, bond angles, vibrational frequencies, dipole moments, proton and carbon-13 NMR isotropic chemical shifts, UV-Vis. Parameters, HOMO and LUMO energies of pioglitazone molecules were studied using Gaussian09 program with DFT/B3LYP method at the 6-311G++(2d,2p) basis set. The assignments of theoretical vibrational modes were obtained using VEDA 4 software in terms of potential energy distribution (PED). The spectroscopic characterizations of pioglitazone molecule were performed using FT-IR, Laser-Raman, and NMR chemical shift and UV-vis. experimental methods. Theoretically obtained geometric parameters, vibrational wavenumbers and NMR chemical shifts will also be compared with the experimental results.enPioglitazoneFTIRLaser-RamanProton and Carbon-13 NMR chemical shiftsDFT/B3LYPArticle10.18185/erzifbed.8992591067518