CBD/SF-TDDFT/bhhlyp/q_chem

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