Rzepa, Henry S. Gaussian Job Archive for C6H16ClNO5 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1/C4H10NO2.C2H4O2.ClH.H2O/c5-4-1-6-3-7-2-4;1-2(3)4;;/h4H,1-3H2,5H3;1H3,(H,3,4);1H;1H2;InChIKey=PRCBUGRKMWNZOR-UHFFFAOYSA-N;C1OCOCC1[NH3].O.O=C(O)C.Cl;C6H16ClNO5;IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,s;Organic Chemistry 2015-11-13
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C6H16ClNO5/1601891
10.6084/m9.figshare.1601891.v1