Rzepa, Henry S. Gaussian Job Archive for C9H18O6 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C6H12O5.C3H6O/c1-5(2,7)10-11-6(3,4)9-8;1-3(2)4/h1-4H3;1-2H3;Freq;fr;rwb97xd/6-311G(d,p);GenChk;SCRF=Check;Guess=TCheck;Geom=AllCheck;#N;C9H18O6;C(OOC(O[O])(C)C)([O])(C)C.C(=O)(C)C;InChIKey=XEZYYDSRICGUKS-UHFFFAOYSA-N;opt(calcfc,saddle=2,noeigentest);Organic Chemistry 2012-11-19
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H18O6/97731
10.6084/m9.figshare.97731.v1