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hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / CC(=O)Nc1ccc(F)c(C(=O)Cc2ccnc(N)c2)c1 / Mo_N2 |
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1210773 Fri May 19 14:33:31 2023 | g98.out | |||||
108 Fri May 19 14:33:31 2023 | gfn2err.out | |||||
225753 Fri May 19 14:33:30 2023 | gfn2job.out | |||||
2135610 Fri May 19 14:33:31 2023 | hessian | |||||
242 Fri May 19 14:33:31 2023 | orca.inp | |||||
293060 Fri May 19 14:33:30 2023 | orca.out | |||||
8303 Fri May 19 14:33:31 2023 | orca.xyz | |||||
3889 Fri May 19 14:33:31 2023 | struct.xyz | |||||
24855 Fri May 19 14:33:31 2023 | vibspectrum |
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