Orca - Ab initio, DFT and semiempirical SCF-MO package

ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. Use of this software package implies that you agree with the license. Commercial use of ORCA is prohibited under the terms of this license.

Orca is available using the command

module load orca openmpi/gnu/1.4.5