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hp8kfQHWzk / candidates / catalytic_cycles_pbe_opt / NCCc1ncnc2ccccc12 / Mo_NH3+

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             249         Fri May 19 14:35:12 2023
orca.inp
         6509069         Fri May 19 14:35:11 2023
orca.out
            6157         Fri May 19 14:35:11 2023
orca.xyz
          291380         Fri May 19 14:35:11 2023
orca_trj.xyz
            2900         Fri May 19 14:35:11 2023
struct.xyz

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