#!/bin/bash   
#SBATCH -J job_name
#SBATCH -N 1
#SBATCH -n 8
#SBATCH -o %x.e%j
#SBATCH -e %x.e%j.err
#cd /home/user_folder/calculation_folder # provide the folder if the script is submitted not from project folder
module load Compiler/Intel/17u8 Q-Ch/Gaussian/16.RevA03
ulimit -s unlimited

export GAUSS_SCRDIR=/scr/$SLURM_JOB_USER/$SLURM_JOB_ID
#Basic run:
g16 < input.gau > input.out