CBD/SF-CIS/q_chem
2021-01-25 17:35:21 +01:00

12 lines
191 B
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#!/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_cis_6_31G_d.inp 6-31+G_d/CBD_sf_cis_6_31G_d.log