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hp8kfQHWzk / candidates / catalytic_cycles_b3lyp_sp / Nc1ccccc1N=CC(=O)Cl / Mo

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             242         Fri May 19 14:37:43 2023
orca.inp
          193221         Fri May 19 14:37:42 2023
orca.out
            4858         Fri May 19 14:37:42 2023
orca.xyz
            2844         Fri May 19 14:37:43 2023
struct.xyz

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