CBD/SF-TDDFT/B2PLYP/AVQZ/q_chem

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2021-03-02 16:40:19 +01:00
#!/bin/bash
#SBATCH --job-name=SF-B2PLYP
#SBATCH --nodes=1
#SBATCH -n 16
#SBATCH -p q-chem
qchem CBD_sf_td_B2PLYP_avqz.inp CBD_sf_td_B2PLYP_avqz.log