Q-Chem is a comprehensive ab initio quantum chemistry package. Its capabilities range from the highest performance DFT/HF calculations to high level post-HF correlation methods. Q-Chem tackles a wide range of problems in commercial, academic and government laboratories, including:

• Molecular Structures
• Chemical Reactions
• Molecular Vibrations
• Electronic Spectra
• NMR Spectra
• Solvation Effects