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hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / CC(N)Cc1ccc(CCl)cc1 / Mo_NH |
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1410 Fri May 19 14:34:12 2023 | charges | |||||
0 Fri May 19 14:34:12 2023 | err.out | |||||
742539 Fri May 19 14:34:12 2023 | g98.out | |||||
26 Fri May 19 14:34:12 2023 | gfn2err.out | |||||
141669 Fri May 19 14:34:12 2023 | gfn2job.out | |||||
1289385 Fri May 19 14:34:12 2023 | hessian | |||||
0 Fri May 19 14:34:12 2023 | job.err | |||||
28 Fri May 19 14:34:12 2023 | job.out | |||||
324 Fri May 19 14:34:12 2023 | orca.inp | |||||
206769 Fri May 19 14:34:12 2023 | orca.out | |||||
1520 Fri May 19 14:34:12 2023 | orca.sh | |||||
6464 Fri May 19 14:34:12 2023 | orca.xyz | |||||
6465 Fri May 19 14:34:12 2023 | orca_restart.xyz | |||||
562 Fri May 19 14:34:12 2023 | slurm-6001636.out | |||||
3090 Fri May 19 14:34:12 2023 | struct.xyz | |||||
19347 Fri May 19 14:34:12 2023 | vibspectrum | |||||
5355 Fri May 19 14:34:12 2023 | wbo | |||||
7357 Fri May 19 14:34:12 2023 | xtbhess.xyz | |||||
325820 Fri May 19 14:34:12 2023 | xtbopt.log | |||||
7405 Fri May 19 14:34:12 2023 | xtbopt.xyz | |||||
7992 Fri May 19 14:34:12 2023 | xtbrestart | |||||
8851 Fri May 19 14:34:12 2023 | xtbtopo.mol |
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