CBD/EOM-SF-CC_2_3/q_chem
2021-02-07 21:28:25 +01:00

12 lines
190 B
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#!/bin/bash
#SBATCH --job-name=EOM-CC(2,3)
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVDZ/CBD_eom_sf_cc2_3_avdz.inp AVDZ/CBD_eom_sf_cc2_3_avdz.log