Rzepa, Henry S. Gaussian Job Archive for C7H13F3O5 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1/C5H9F3O2.C2H4O2.H2O/c1-10-3-4(2-9)5(6,7)8;1-2(3)4;/h4,9H,2-3H2,1H3;1H3,(H,3,4);1H2/t4-;;/m1../s1;InChIKey=PNLXRDWAGVXPJM-RZFWHQLPSA-N;C([C@H](C(F)(F)F)CO)OC.O.O=C(C)O;C7H13F3O5;opt=(calcall,ts,noeigentest,cartesian);wB97XD/6-311G(d,p);scrf=(cpcm;Organic Chemistry 2015-11-15
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C7H13F3O5/1601890
10.6084/m9.figshare.1601890.v1