CBD/D4h/spin-flip/SF-ADC/sf-adc3/q_chem
2021-03-15 14:30:41 +01:00

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Executable File

#!/bin/bash
#SBATCH --job-name=SF-ADC3
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_sf_adc3_avqz.inp AVQZ/CBD_sf_adc3_avqz.log