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candidates/xtb_vibrational_correction_candidates/CC(C)(N)CCC1CCCCC1:
total 15
            4096         Fri May 19 14:33:43 2023
Mo
            4096         Fri May 19 14:33:43 2023
Mo_N
            4096         Fri May 19 14:33:42 2023
Mo_N2
            4096         Fri May 19 14:33:44 2023
Mo_N2_NH3
            4096         Fri May 19 14:33:45 2023
Mo_NH
            4096         Fri May 19 14:33:43 2023
Mo_NH+
            4096         Fri May 19 14:33:41 2023
Mo_NH2
            4096         Fri May 19 14:33:43 2023
Mo_NH2+
            4096         Fri May 19 14:33:41 2023
Mo_NH3
            4096         Fri May 19 14:33:41 2023
Mo_NH3+
            4096         Fri May 19 14:33:44 2023
Mo_NNH
            4096         Fri May 19 14:33:40 2023
Mo_NNH+
            4096         Fri May 19 14:33:45 2023
Mo_NNH2
            4096         Fri May 19 14:33:46 2023
Mo_NNH2+
            4096         Fri May 19 14:33:42 2023
Mo_NNH3+

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