TY - DATA T1 - Gaussian Job Archive for C5H3NO2S PY - 2012/11/19 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H3NO2S/97739 DO - 10.6084/m9.figshare.97739.v1 L4 - https://ndownloader.figshare.com/files/224102 L4 - https://ndownloader.figshare.com/files/224103 L4 - https://ndownloader.figshare.com/files/224104 L4 - https://ndownloader.figshare.com/files/224105 L4 - https://ndownloader.figshare.com/files/224106 KW - InChI=1S/C5H3NO2S/c1-3-4(2-9)5(7)8-6-3/h1H3 KW - Freq KW - opt KW - fr KW - rwb97xd/6-311G(d,p) KW - GenChk KW - SCRF=Check KW - Guess=TCheck KW - Geom=AllCheck KW - #N KW - C5H3NO2S KW - C1(=NOC(=O)[C]1C#[S])C KW - InChIKey=GMIVSCIYDGQNIL-UHFFFAOYSA-N KW - wB97XD/6-311G(d,p) KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -