Shared Files
Working directory: |
hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / CC(C)(N)CCC1CCCCC1 / Mo_NH |
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1815 Fri May 19 14:33:45 2023 | charges | |||||
0 Fri May 19 14:33:44 2023 | err.out | |||||
1210773 Fri May 19 14:33:45 2023 | g98.out | |||||
26 Fri May 19 14:33:45 2023 | gfn2err.out | |||||
146917 Fri May 19 14:33:44 2023 | gfn2job.out | |||||
2135610 Fri May 19 14:33:45 2023 | hessian | |||||
0 Fri May 19 14:33:45 2023 | job.err | |||||
28 Fri May 19 14:33:44 2023 | job.out | |||||
324 Fri May 19 14:33:45 2023 | orca.inp | |||||
222782 Fri May 19 14:33:44 2023 | orca.out | |||||
1520 Fri May 19 14:33:45 2023 | orca.sh | |||||
8272 Fri May 19 14:33:45 2023 | orca.xyz | |||||
545 Fri May 19 14:33:44 2023 | slurm-6007023.out | |||||
3932 Fri May 19 14:33:45 2023 | struct.xyz | |||||
24855 Fri May 19 14:33:45 2023 | vibspectrum | |||||
6426 Fri May 19 14:33:45 2023 | wbo | |||||
9464 Fri May 19 14:33:45 2023 | xtbhess.xyz | |||||
418528 Fri May 19 14:33:45 2023 | xtbopt.log | |||||
9512 Fri May 19 14:33:44 2023 | xtbopt.xyz | |||||
10128 Fri May 19 14:33:45 2023 | xtbrestart | |||||
11313 Fri May 19 14:33:45 2023 | xtbtopo.mol |
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