CBD/SF-CIS/q_chem
2021-02-08 15:47:19 +01:00

12 lines
173 B
Bash
Executable File

#!/bin/bash
#SBATCH --job-name=SF-CIS
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_sf_cis_avqz.inp AVQZ/CBD_sf_cis_avqz.log