Shared Files
Working directory: |
hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / NC1(CCCCCl)CCCCC1 / Mo_NH2 |
Info | Select/deselect all files | |||||
1695 Fri May 19 14:33:56 2023 | charges | |||||
0 Fri May 19 14:33:55 2023 | err.out | |||||
1060181 Fri May 19 14:33:56 2023 | g98.out | |||||
26 Fri May 19 14:33:56 2023 | gfn2err.out | |||||
147060 Fri May 19 14:33:56 2023 | gfn2job.out | |||||
1862208 Fri May 19 14:33:56 2023 | hessian | |||||
120 Fri May 19 14:33:56 2023 | job-38278121.er | |||||
143 Fri May 19 14:33:56 2023 | job-38278121.out | |||||
0 Fri May 19 14:33:56 2023 | job.err | |||||
29 Fri May 19 14:33:55 2023 | job.out | |||||
242 Fri May 19 14:33:56 2023 | orca.inp | |||||
221865 Fri May 19 14:33:55 2023 | orca.out | |||||
1055 Fri May 19 14:33:56 2023 | orca.sh | |||||
7745 Fri May 19 14:33:56 2023 | orca.xyz | |||||
3681 Fri May 19 14:33:56 2023 | struct.xyz | |||||
23223 Fri May 19 14:33:56 2023 | vibspectrum | |||||
6018 Fri May 19 14:33:56 2023 | wbo | |||||
391072 Fri May 19 14:33:56 2023 | xtbopt.log | |||||
8888 Fri May 19 14:33:55 2023 | xtbopt.xyz | |||||
9512 Fri May 19 14:33:56 2023 | xtbrestart | |||||
10599 Fri May 19 14:33:56 2023 | xtbtopo.mol |
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