10.6084/m9.figshare.97635.v1 Henry S. Rzepa Henry S. Rzepa Gaussian Job Archive for C5H3NO2S figshare 2012 InChI=1S/C2H3N.C2S.CO2/c2*1-2-3;2-1-3/h1H3;; InChIKey=QBBPYHCWZZPPAX-UHFFFAOYSA-N C(#N)C.[C][C][S].C(=O)=O C5H3NO2S rwb97xd/6-311G(d,p) Freq integral=grid=ultrafine Organic Chemistry 2012-11-16 09:15:04 Dataset https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H3NO2S/97635 Archive of work produced using the resources of the Imperial College High Performance Computing Service.