Q-Chem is a comprehensive ab initio quantum chemistry package for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. The new release of Q-Chem 5 represents the state-of-the-art of methodology from the highest performance DFT/HF calculations to high level post-HF correlation methods:

• Fully integrated graphic interface including molecular builder, input generator, contextual help and visualization toolkit (See amazing image below generated with IQmol; multiple copies available free of charge);
• Dispersion-corrected and double hybrid DFT functionals;
• Faster algorithms for DFT, HF, and coupled-cluster calculations;
• Structures and vibrations of excited states with TD-DFT;
• Methods for mapping complicated potential energy surfaces;
• Efficient valence space models for strong correlation;
• More choices for excited states, solvation, and charge-transfer;
• Effective Fragment Potential and QM/MM for large systems;
• For a complete list of new features, click here.

http://www.iqmol.com

IQmol: The smart choice in molecular visualization software!

http://brianqc.com

BrianQC speeds up Q-Chem by calculating time consuming steps on your GPU.

Q-Chem is available a stand-alone package with a fully integrated graphic interface IQmol. It also serves as the back-end of Spartan:

Spartan '18: The latest addition to Wavefunction’s line of molecular modeling software for research and education!

Spartan '18:  Enhanced, Refined, and Faster than ever. The Parallel Suite includes utilization of up to 16 cores for select tasks as well as the Spartan Spectra and Properties Database, and the ability to act as a Computational Server for jobs submitted from other Spartan Parallel Suite, Spartan licenses, or iSpartanapps (on the iPad, iPhone, or iPod Touch).
For more information click visit www.wavfun.com.