2021-01-25 21:03:02 +01:00
|
|
|
#!/bin/bash
|
2021-02-01 07:22:00 +01:00
|
|
|
#SBATCH --job-name=SF-ADC2-X
|
2021-01-25 21:03:02 +01:00
|
|
|
#SBATCH --nodes=1
|
2021-02-01 07:22:00 +01:00
|
|
|
#SBATCH -n 8
|
2021-01-25 21:03:02 +01:00
|
|
|
#SBATCH -p q-chem
|
|
|
|
|
|
|
|
|
|
#g09 cbutadiene_opt.com
|
|
|
|
|
|
2021-02-01 07:22:00 +01:00
|
|
|
qchem AVTZ/CBD_sf_adc2_x_avtz.inp AVTZ/CBD_sf_adc2_x_avtz.log
|
2021-01-25 21:03:02 +01:00
|
|
|
|
|
|
|
|
|
