#!/bin/bash #SBATCH --job-name=cbutadiene #SBATCH --nodes=1 #SBATCH -n 16 #SBATCH -p q-chem #g09 cbutadiene_opt.com qchem 6-31+G_d/CBD_sf_td_bhhlyp_6_31G_d.inp 6-31+G_d/CBD_sf_td_bhhlyp_6_31G_d.log