Q-Chem is a quantum chemistry program that is used to model atomic and molecular processes in a wide range of disciplines, including biology, chemistry, and materials science. Q-Chem offers end-users a rich variety of ab initio based techniques from which to choose (Hartree-Fock, DFT, MP2, MP3, MP4, QCISD, CCSD, QCISD(T), CCSD(T), CIS, and CIS(D)), with particular strength in the application of density functional theory (DFT) to study large molecules.

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