CBD/SF-TDDFT/wB97X-V/q_chem
2021-02-01 15:17:49 +01:00

12 lines
189 B
Bash
Executable File

#!/bin/bash
#SBATCH --job-name=SF-wB97-V
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_sf_td_wB97X_V_avqz.inp AVQZ/CBD_sf_td_wB97X_V_avqz.log