Rzepa, Henry S. Gaussian Job Archive for C8H13ClN2O4 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C8H12O4.ClH.N2/c9-3-5-4-1-8(11)12-7(4)2-6(5)10;;1-2/h3-8,10-11H,1-2H2;1H;/t4-,5+,6+,7+,8+;;/m0../s1;InChIKey=IJELMZKJKRGLDY-YVRNVQPESA-N;[C@@H]1([C@H](C=O)[C@H]2[C@@H](C1)O[C@H](C2)O)O.N#N.Cl;C8H13ClN2O4;IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,s;Organic Chemistry 2015-11-23
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C8H13ClN2O4/1609697
10.6084/m9.figshare.1609697.v1