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hp8kfQHWzk / candidates / catalytic_cycles_pbe_opt / Nc1ccccc1C(=O)C(F)=S / Mo

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             250         Fri May 19 14:35:06 2023
orca.inp
         2001622         Fri May 19 14:35:06 2023
orca.out
            4693         Fri May 19 14:35:06 2023
orca.xyz
           72358         Fri May 19 14:35:06 2023
orca_trj.xyz
            2724         Fri May 19 14:35:06 2023
struct.xyz

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