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Gaussian
License
To use Gaussian at Princeton,
follow the Princeton Research Computing instructions
. When you e-mail the appropriate staff member, make sure to tell them which machine(s) you wish to use Gaussian on.
Never share Gaussian timing data in a public setting. It is against the license. That also means all timing data at the bottom of the log files must be scrubbed (e.g. replaced with 0s) before sharing them publicly.
Usage
The Princeton Research Computing instructions
also provide usage details. Typically, that looks like
module load gaussian/g16
g16 input.gjf
>
output.log
Visualization
There are many tools to visualize Gaussian outputs. I generally recommend
ChemCraft
.
Toolkits
GoodVibes
: Thermochemical corrections for Gaussian
References
If you are using Gaussian, you should read "Exploring Chemistry with Electronic Structure Methods" by Foresman and Frisch.