Shared Files
Working directory: |
hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / CC(C)(N)CCC1CCCCC1 / Mo_NH2+ |
Info | Select/deselect all files | |||||
1830 Fri May 19 14:33:43 2023 | charges | |||||
0 Fri May 19 14:33:43 2023 | err.out | |||||
1230299 Fri May 19 14:33:43 2023 | g98.out | |||||
122 Fri May 19 14:33:43 2023 | gfn2err.out | |||||
156192 Fri May 19 14:33:43 2023 | gfn2job.out | |||||
2171925 Fri May 19 14:33:43 2023 | hessian | |||||
0 Fri May 19 14:33:43 2023 | job.err | |||||
28 Fri May 19 14:33:43 2023 | job.out | |||||
324 Fri May 19 14:33:43 2023 | orca.inp | |||||
223352 Fri May 19 14:33:43 2023 | orca.out | |||||
1520 Fri May 19 14:33:43 2023 | orca.sh | |||||
8340 Fri May 19 14:33:43 2023 | orca.xyz | |||||
545 Fri May 19 14:33:43 2023 | slurm-6007026.out | |||||
3964 Fri May 19 14:33:43 2023 | struct.xyz | |||||
25059 Fri May 19 14:33:43 2023 | vibspectrum | |||||
6477 Fri May 19 14:33:43 2023 | wbo | |||||
9542 Fri May 19 14:33:43 2023 | xtbhess.xyz | |||||
508270 Fri May 19 14:33:43 2023 | xtbopt.log | |||||
9590 Fri May 19 14:33:43 2023 | xtbopt.xyz | |||||
10208 Fri May 19 14:33:43 2023 | xtbrestart | |||||
11445 Fri May 19 14:33:43 2023 | xtbtopo.mol |
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