2、Gaussian09

#!/bin/bash
#SBATCH -J g09
#SBATCH -N 1
#SBATCH -n 60
#SBATCH -p wzhctest

export g09root=/work/home/username/software
export GAUSS_SCRDIR=/work/home/username/software/g09/scratch
source /work/home/username/software/g09/bsd/g09.profile

g09 test.gjf