Rzepa, Henry S. Gaussian Job Archive for C9H13F3O3S Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C8H13.CF3O3S/c1-7-5-3-4-6-8(7)2;2-1(3,4)8(5,6)7/h3H,4-6H2,1-2H3;;InChIKey=OJONDLBWUYRBMP-UHFFFAOYSA-N;C1(=C(C[CH]CC1)C)C.S(=O)(=O)(C(F)(F)F)[O];C9H13F3O3S;opt=(calcall,ts,noeigentest);wB97XD/6-31G(d,p);#;scrf=(cpcm,solvent=;Organic Chemistry 2012-10-31
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H13F3O3S/96982
10.6084/m9.figshare.96982.v1