10.6084/m9.figshare.96336.v1 Henry S. Rzepa Henry S. Rzepa Gaussian Job Archive for C2H8N2OS figshare 2012 InChI=1S/CH3NO.CH5NS/c1-2-3-1;1-3-2/h2H,1H2;2H2,1H3 InChIKey=URMSYWNGZCEZLX-UHFFFAOYSA-N C1NO1.S(C)N C2H8N2OS wb97xd/6-31g(d) scrf=(cpcm,solvent=dichloromethane) irc=(maxpoints=1 Organic Chemistry 2012-10-08 05:30:47 Dataset https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H8N2OS/96336 Archive of work produced using the resources of the Imperial College High Performance Computing Service.