Gaussian 16 Linux -

Water single point optimization

sudo mkdir /scratch_gauss sudo mount -t tmpfs -o size=32G tmpfs /scratch_gauss export GAUSS_SCRDIR=/scratch_gauss gaussian 16 linux

%nosave

Gaussian 16 is a widely used quantum chemistry software package for electronic structure modeling — performing ab initio and density functional theory (DFT) calculations, geometry optimizations, frequency analyses, transition-state searches, and many post-Hartree–Fock methods (MP2, CCSD(T), etc.). On Linux, Gaussian 16 is the typical platform for production computational chemistry due to stability, performance, and integration with HPC environments. and many post-Hartree–Fock methods (MP2

: Untarring the massive .tbz binary files into a dedicated directory, often within /home or a shared /opt folder. etc.). On Linux