#!/bin/bash #SBATCH --job-name=SF-CAMB3LYP #SBATCH --nodes=1 #SBATCH -n 8 #SBATCH -p q-chem #SBATCH --mem=20000 qchem CBD_sf_td_CAMB3LYP_avdz.inp CBD_sf_td_CAMB3LYP_avdz.log