12 lines
195 B
Plaintext
12 lines
195 B
Plaintext
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#!/bin/bash
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#SBATCH --job-name=SF-CIS(D)
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#SBATCH --nodes=1
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#SBATCH -n 8
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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_cis_d_6_31G_d.inp 6-31+G_d/CBD_sf_cis_d_6_31G_d.log
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