12 lines
200 B
Bash
Executable File
12 lines
200 B
Bash
Executable File
#!/bin/bash
|
|
#SBATCH --job-name=cbutadiene
|
|
#SBATCH --nodes=1
|
|
#SBATCH -n 16
|
|
#SBATCH -p q-chem
|
|
|
|
#g09 cbutadiene_opt.com
|
|
|
|
qchem 6-31+G_d/CBD_sf_td_blyp_6_31G_d.inp 6-31+G_d/CBD_sf_td_blyp_6_31G_d.log
|
|
|
|
|