Rzepa, Henry S. Gaussian Job Archive for C12H13ClN2 Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C6H7N.C6H6N.Cl/c2*7-6-4-2-1-3-5-6;/h1-5H,7H2;1-5,7H;;InChIKey=SOFVMOILRUAAHB-UHFFFAOYSA-N;[NH]c1ccccc1.Nc1ccccc1.[Cl];C12H13ClN2;rwb97xd/6-311G(d,p);opt(calcall,ts,noeigentest,cartesian);scrf(cpcm,;Organic Chemistry 2013-01-07
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C12H13ClN2/106264
10.6084/m9.figshare.106264.v1