TURBOMOLE

TURBOMOLE is a full-featured package for computational quantum chemistry. It is extrememly fast and reliable, with efficient algorithms to handle systems of several hundreds of atoms at DFT, HF, MP2, and CC2 levels of theory. Version 5.7 is available on the SGIs, but the cluster and Linux workstations are running the latest release (Currently 6.0).

TURBOMOLE generally relies on other programs to build moecular coordinates (ebuilder, etc.) or view results (gmolden, vmd, etc.). It has a steep learning curve, so take a look at this tutorial from COSMOlogic GmbH, and the manuals at Turbomole, GmbH.