10.6084/m9.figshare.96983.v1 Henry S. Rzepa Henry S. Rzepa Gaussian Job Archive for C9H13F3O3S figshare 2012 InChI=1S/C8H13.CF3O3S/c1-6-3-4-7-5-8(6,7)2;2-1(3,4)8(5,6)7/h7H,3-5H2,1-2H3;/t7-,8-;/m1./s1 InChIKey=OPBZXKMZEGRKPV-SCLLHFNJSA-N [C]1([C@]2(C[C@H]2CC1)C)C.C(F)(F)(F)S(=O)(=O)[O] C9H13F3O3S irc(calcall,maxpoints=150,maxcycle=40,tight,cartesian,stepsize=15,lq Organic Chemistry 2012-10-31 14:36:51 Dataset https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H13F3O3S/96983 Archive of work produced using the resources of the Imperial College High Performance Computing Service.