CBD/EOM-SF-CC_2_3/q_chem

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2021-01-29 08:03:48 +01:00
#!/bin/bash
#SBATCH --job-name=cbutadiene
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem 6-31+G_d/CBD_eom_sf_cc2_3_6_31G_d.inp 6-31+G_d/CBD_eom_sf_cc2_3_6_31G_d.log