Rzepa, Henry S. Gaussian Job Archive for C6H3MnO5 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C2H3O.4CO.Mn/c1-2-3;4*1-2;/h1H3;;;;;;wB97XD/6-311G(d,p);Freq;opt(calcfc,ts,noeigentest);fr;rwb97xd/6-311G(d,p);GenChk;SCRF=Check;Guess=TCheck;Geom=AllCheck;#N;C6H3MnO5;[Mn]([C][O])(C(=O)C)([C][O])([C][O])[C][O];InChIKey=KKKRYOJABRBESL-UHFFFAOYSA-N;scrf=(cpcm,solven;Organic Chemistry 2012-09-27
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C6H3MnO5/96123
10.6084/m9.figshare.96123.v1