#!/bin/bash #SBATCH --job-name=SF-BLYP #SBATCH --nodes=1 #SBATCH -n 16 #SBATCH -p q-chem #g09 cbutadiene_opt.com qchem AVQZ/CBD_sf_td_blyp_avqz.inp AVQZ/CBD_sf_td_blyp_avqz.log