12 lines
204 B
Bash
Executable File
12 lines
204 B
Bash
Executable File
#!/bin/bash
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#SBATCH --job-name=cbutadiene
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#SBATCH --nodes=1
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#SBATCH -n 16
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#SBATCH -p q-chem
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#g09 cbutadiene_opt.com
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qchem 6-31+G_d/CBD_sf_td_bhhlyp_6_31G_d.inp 6-31+G_d/CBD_sf_td_bhhlyp_6_31G_d.log
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