NWChem

NWChem is available on all systems. The most recent installation is 7.0.0 on Maple. To use it, load the nwchem module.

There is a default .nwchemrc file at /usr/local/apps/nwchem/7.0.0/data/default.nwchemrc. To copy it to your home directory, run:
cp /usr/local/apps/nwchem/7.0.0/data/default.nwchemrc ~/.nwchemrc