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hp8kfQHWzk / candidates / xtb_vibrational_correction_candidates / NC1(CCCCCl)CCCCC1 / Mo_NNH3+ |
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1725 Fri May 19 14:33:57 2023 | charges | |||||
0 Fri May 19 14:33:57 2023 | err.out | |||||
1096893 Fri May 19 14:33:57 2023 | g98.out | |||||
26 Fri May 19 14:33:57 2023 | gfn2err.out | |||||
147908 Fri May 19 14:33:57 2023 | gfn2job.out | |||||
1928286 Fri May 19 14:33:57 2023 | hessian | |||||
120 Fri May 19 14:33:57 2023 | job-38278129.er | |||||
143 Fri May 19 14:33:57 2023 | job-38278129.out | |||||
0 Fri May 19 14:33:57 2023 | job.err | |||||
29 Fri May 19 14:33:57 2023 | job.out | |||||
242 Fri May 19 14:33:57 2023 | orca.inp | |||||
226135 Fri May 19 14:33:57 2023 | orca.out | |||||
1055 Fri May 19 14:33:57 2023 | orca.sh | |||||
7882 Fri May 19 14:33:57 2023 | orca.xyz | |||||
3745 Fri May 19 14:33:57 2023 | struct.xyz | |||||
23631 Fri May 19 14:33:57 2023 | vibspectrum | |||||
6120 Fri May 19 14:33:57 2023 | wbo | |||||
8996 Fri May 19 14:33:57 2023 | xtbhess.xyz | |||||
397936 Fri May 19 14:33:57 2023 | xtbopt.log | |||||
9044 Fri May 19 14:33:57 2023 | xtbopt.xyz | |||||
9680 Fri May 19 14:33:57 2023 | xtbrestart | |||||
10801 Fri May 19 14:33:57 2023 | xtbtopo.mol |
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