MOPAC 2007

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MOPAC2007 is a general-purpose semiempirical quantum mechanics package for the study of chemical properties and reactions in gas, solution, or solid-state. MOPAC2007 can be used to directly predict numerous chemical and physical properties, such as Gibbs free energies, activation energies, reaction paths, dipole moments, non-linear optical properties, and infrared spectra. It is based on the public domain MOPAC 7.