2021-01-25 17:35:21 +01:00
|
|
|
#!/bin/bash
|
2021-02-01 07:22:00 +01:00
|
|
|
#SBATCH --job-name=SF-CIS
|
2021-01-25 17:35:21 +01:00
|
|
|
#SBATCH --nodes=1
|
2021-02-08 15:47:19 +01:00
|
|
|
#SBATCH -n 4
|
2021-01-25 17:35:21 +01:00
|
|
|
#SBATCH -p q-chem
|
|
|
|
|
|
|
|
|
|
#g09 cbutadiene_opt.com
|
|
|
|
|
|
2021-02-01 07:22:00 +01:00
|
|
|
qchem AVQZ/CBD_sf_cis_avqz.inp AVQZ/CBD_sf_cis_avqz.log
|
2021-01-25 17:35:21 +01:00
|
|
|
|
|
|
|
|
|
