Gaussian 16 Linux -

0 1 O 0.000000 0.000000 0.000000 H 0.758602 0.000000 0.504284 H -0.758602 0.000000 0.504284

export g16root=/opt/gaussian16 export GAUSS_SCRDIR=/scratch/$USER/gaussian # fast local disk source $g16root/g16/bsd/g16.profile gaussian 16 linux

export g16root=/opt source $g16root/g16/bsd/g16.profile export GAUSS_SCRDIR=/scratch/g16_scratch Use code with caution. 0 1 O 0

Assume you have a fresh Linux installation (no GUI required, but a minimal server install works). You will need: M06-2X) and RI-MP2. On Linux

Gaussian 16 Rev C.01+ supports NVIDIA GPUs for DFT (B3LYP, PBE0, M06-2X) and RI-MP2. On Linux, the speedup is dramatic (3-5x for hybrid functionals).