CBD/SF-ADC/sf-adc2-x/q_chem

#!/bin/bash
#SBATCH --job-name=SF-ADC2-X
#SBATCH --nodes=1
#SBATCH -n 16
#SBATCH -p q-chem 

#g09 cbutadiene_opt.com

qchem AVQZ/CBD_sf_adc2_x_avqz.inp AVQZ/CBD_sf_adc2_x_avqz.log
input and output 2021-01-25 21:03:02 +01:00			`#!/bin/bash`
input and output 2021-02-01 07:22:00 +01:00			`#SBATCH --job-name=SF-ADC2-X`
input and output 2021-01-25 21:03:02 +01:00			`#SBATCH --nodes=1`
SF-CIS(D) first basis 2021-03-10 10:56:58 +01:00			`#SBATCH -n 16`
input and output 2021-01-25 21:03:02 +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_adc2_x_avqz.inp AVQZ/CBD_sf_adc2_x_avqz.log`
input and output 2021-01-25 21:03:02 +01:00