Spectroscopic Calculations Using Computer Software: Winmostar

In this study, we use the Winmostar program to perform spectroscopic computations, with a special emphasis on analyzing the UV/vis and infrared (IR) spectra. This program offers advanced features to execute quantum chemistry calculations, conduct molecular dynamics simulations, and perform solid-state physics computations. Herein, experimental studies have been performed on five distinct molecules: chloromethane, chlorobenzene, p-chlorobenzoic acid, p-amino benzoic acid, and aluminum (1-amino-2-choloro-2-hydroxy-3-nitrocyclopropyl carbide), using the AM1 semi-empirical approach. UV-visible spectra have been obtained using CNDO, while IR spectra have been analyzed via a Hessian matrix with GAMESS. This program optimizes the calculating process and provides accurate outcomes for various computations.