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

#!/bin/bash
#SBATCH --job-name=SF-ADC2-X
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem 
#SBATCH --mem=20000

#g09 cbutadiene_opt.com

qchem AVDZ/CBD_sf_adc2_x_avdz.inp AVDZ/CBD_sf_adc2_x_avdz.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`
D4h outputs 2021-03-23 15:00:29 +01:00			`#SBATCH -n 8`
input and output 2021-01-25 21:03:02 +01:00			`#SBATCH -p q-chem`
D4h outputs 2021-03-23 15:00:29 +01:00			`#SBATCH --mem=20000`
input and output 2021-01-25 21:03:02 +01:00
			`#g09 cbutadiene_opt.com`

D4h outputs 2021-03-23 15:00:29 +01:00			`qchem AVDZ/CBD_sf_adc2_x_avdz.inp AVDZ/CBD_sf_adc2_x_avdz.log`
input and output 2021-01-25 21:03:02 +01:00