TY - DATA T1 - Gaussian Job Archive for C12H9NO2S2 PY - 2012/12/11 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C12H9NO2S2/103764 DO - 10.6084/m9.figshare.103764.v1 L4 - https://ndownloader.figshare.com/files/231367 L4 - https://ndownloader.figshare.com/files/231368 L4 - https://ndownloader.figshare.com/files/231369 L4 - https://ndownloader.figshare.com/files/231370 L4 - https://ndownloader.figshare.com/files/231371 KW - InChI=1S/C12H9NO2S2/c14-11-9(12-16-6-7-17-12)10(13-15-11)8-4-2-1-3-5-8/h1-5H,6-7H2 KW - opt(cartesian) KW - integral=grid=ultrafine KW - fr KW - rwb97xd/6-311G(d,p) KW - GenChk KW - SCRF=Check KW - Guess=TCheck KW - Geom=AllCheck KW - #N KW - C12H9NO2S2 KW - C1(=NOC(=O)C1=C1SCCS1)c1ccccc1 KW - InChIKey=DDUODNASVJFNPY-UHFFFAOYSA-N KW - Freq KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -