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/C3H6O4.2C3H6O/c1-3(2,4)6-7-5;2*1-3(2)4/h1-2H3;2*1-2H3;opt(calcfc,ts,noeigentest);Freq;fr;rwb97xd/6-311G(d,p);GenChk;SCRF=Check;Guess=TCheck;Geom=AllCheck;#N;C9H18O6;C([O])(OO[O])(C)C.C(=O)(C)C.O=C(C)C;InChIKey=YNJMWFDNEIMXRL-UHFFFAOYSA-N;integral=grid=ul;Organic Chemistry 2012-11-20
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H18O6/97753
10.6084/m9.figshare.97753.v1