CBD/SF-CIS-D/q_chem

#!/bin/bash
#SBATCH --job-name=SF-CIS(D)
#SBATCH --nodes=1
#SBATCH -n 16 
#SBATCH -p q-chem 

#g09 cbutadiene_opt.com

qchem AVQZ/CBD_sf_cis_d_avqz.inp AVQZ/CBD_sf_cis_d_avqz.log
input and ouput 2021-02-01 08:55:05 +01:00			`#!/bin/bash`
			`#SBATCH --job-name=SF-CIS(D)`
			`#SBATCH --nodes=1`
SF-CIS(D) first basis 2021-03-10 10:56:58 +01:00			`#SBATCH -n 16`
input and ouput 2021-02-01 08:55:05 +01:00			`#SBATCH -p q-chem`

			`#g09 cbutadiene_opt.com`

SF-CIS(D) first basis 2021-03-10 10:56:58 +01:00			`qchem AVQZ/CBD_sf_cis_d_avqz.inp AVQZ/CBD_sf_cis_d_avqz.log`
input and ouput 2021-02-01 08:55:05 +01:00