#!/bin/bash
#SBATCH --job-name=cbutadiene
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#SBATCH -n 8
#SBATCH -p q-chem 

#g09 cbutadiene_opt.com

qchem AVQZ/CBD_sf_td_b3lyp_avqz.inp AVQZ/CBD_sf_td_b3lyp_avqz.log