CBD/EOM-SF-CC_2_3/q_chem

#!/bin/bash
#SBATCH --job-name=EOM-CC(2,3)
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem 

#g09 cbutadiene_opt.com

qchem AVTZ/CBD_eom_sf_cc2_3_avtz.inp AVTZ/CBD_eom_sf_cc2_3_avtz.log
input and output CBD 2021-01-29 08:03:48 +01:00			`#!/bin/bash`
SF-ADC 2021-02-07 21:28:25 +01:00			`#SBATCH --job-name=EOM-CC(2,3)`
input and output CBD 2021-01-29 08:03:48 +01:00			`#SBATCH --nodes=1`
input and output 2021-02-08 15:47:19 +01:00			`#SBATCH -n 4`
input and output CBD 2021-01-29 08:03:48 +01:00			`#SBATCH -p q-chem`

			`#g09 cbutadiene_opt.com`

input and output 2021-02-08 15:47:19 +01:00			`qchem AVTZ/CBD_eom_sf_cc2_3_avtz.inp AVTZ/CBD_eom_sf_cc2_3_avtz.log`
input and output CBD 2021-01-29 08:03:48 +01:00