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hp8kfQHWzk / candidates / catalytic_cycles_pbe_opt / NC1(CCCCCl)CCCCC1 / Mo_N2_NH3

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             250         Fri May 19 14:35:52 2023
orca.inp
        14199803         Fri May 19 14:35:52 2023
orca.out
            7950         Fri May 19 14:35:52 2023
orca.xyz
          626698         Fri May 19 14:35:52 2023
orca_trj.xyz
            3777         Fri May 19 14:35:52 2023
struct.xyz
            6388         Fri May 19 14:35:52 2023
tmp.xyz
          656784         Fri May 19 14:35:52 2023
traj.xyz

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