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hp8kfQHWzk / candidates / catalytic_cycles_b3lyp_sp / NCCCc1ncnc2ccccc12 / Mo_NH2

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             242         Fri May 19 14:37:19 2023
orca.inp
          225392         Fri May 19 14:37:19 2023
orca.out
            6709         Fri May 19 14:37:19 2023
orca.xyz
            3144         Fri May 19 14:37:19 2023
struct.xyz

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