%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C7H7NO2S2 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C7H7NO2S2/97639 %R 10.6084/m9.figshare.97639.v1 %2 https://ndownloader.figshare.com/files/223922 %2 https://ndownloader.figshare.com/files/223923 %2 https://ndownloader.figshare.com/files/223924 %2 https://ndownloader.figshare.com/files/223925 %2 https://ndownloader.figshare.com/files/223926 %K InChI=1S/C7H7NO2S2/c1-4-8-5(6(9)10-4)7-11-2-3-12-7/h2-3H2,1H3 %K integral=grid=ultrafine %K opt %K fr %K rwb97xd/6-311G(d,p) %K GenChk %K SCRF=Check %K Guess=TCheck %K Geom=AllCheck %K #N %K C7H7NO2S2 %K C1(=NC(=C2SCCS2)C(=O)O1)C %K InChIKey=SPHXIZVUKVAQJW-UHFFFAOYSA-N %K Freq %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare