#  Gaussian '16 

 



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 [Gaussian](/gaussian.com) '16 is now available on Odyssey. To use it, add the following lines to ~/.bashrc:

 source new-modules.sh  
. /n/sw/g16\_nehalem/setup.bash

 Two builds of Gaussian are available: nehalem (older processors) and broadwell (newer processors). The setup script above should auto-detect which version you need.

 [NBO 6](http://nbo6.chem.wisc.edu/) has been installed as well. To use it, use the pop=nbo6read keyword in your Gaussian input file. Here is an example for water:

 %mem=500MB  
\#p hf/3-21g pop=nbo6read  
  
title  
  
0 1  
O 0.000 0.000 0.0  
H 0.757 0.586 0.0  
H -0.757 0.586 0.0  
  
$NBO $END

 GaussView for PC and Mac can be obtained from the RC software download [page](https://downloads.rc.fas.harvard.edu/). GMMX, a new addon that allows you to perform molecular mechanics calculations in GaussView, is also available.

 If you wish to use Gaussian '09 for some reason, use

 module load gaussian/09\_D.01-fasrc01

 Both Gaussian '09 Rev D and Gaussian '16 include dispersion-corrected density functionals. For more information, see [this page](http://gaussian.com/dft/) and click on "more" and "EmpiricalDispersion."