Shared Files
Working directory: |
hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / CC(N)Cc1ccc(CCl)cc1 / Mo_NH2+ |
Info | Select/deselect all files | |||||
1425 Fri May 19 14:34:11 2023 | charges | |||||
0 Fri May 19 14:34:11 2023 | err.out | |||||
757853 Fri May 19 14:34:11 2023 | g98.out | |||||
26 Fri May 19 14:34:11 2023 | gfn2err.out | |||||
126604 Fri May 19 14:34:11 2023 | gfn2job.out | |||||
1315926 Fri May 19 14:34:11 2023 | hessian | |||||
0 Fri May 19 14:34:11 2023 | job.err | |||||
28 Fri May 19 14:34:11 2023 | job.out | |||||
324 Fri May 19 14:34:11 2023 | orca.inp | |||||
207740 Fri May 19 14:34:11 2023 | orca.out | |||||
1520 Fri May 19 14:34:11 2023 | orca.sh | |||||
6531 Fri May 19 14:34:11 2023 | orca.xyz | |||||
545 Fri May 19 14:34:11 2023 | slurm-6001639.out | |||||
3122 Fri May 19 14:34:11 2023 | struct.xyz | |||||
19551 Fri May 19 14:34:11 2023 | vibspectrum | |||||
5559 Fri May 19 14:34:11 2023 | wbo | |||||
276871 Fri May 19 14:34:11 2023 | xtbopt.log | |||||
7483 Fri May 19 14:34:11 2023 | xtbopt.xyz | |||||
8072 Fri May 19 14:34:11 2023 | xtbrestart | |||||
8961 Fri May 19 14:34:11 2023 | xtbtopo.mol |
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