12 lines
198 B
Plaintext
12 lines
198 B
Plaintext
|
#!/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_adc2_x_6_31G_d.inp 6-31+G_d/CBD_sf_adc2_x_6_31G_d.log
|
||
|
|
||
|
|