Gaussian Job Archive for C9H7NO2 Henry S. Rzepa 10.6084/m9.figshare.769259.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H7NO2/769259 <p>Archive of work produced using the resources of the Imperial College High Performance Computing Service.</p> 2013-08-11 06:57:01 InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-6,11H InChIKey=OKJDRGLFCIXKST-UHFFFAOYSA-N c1cccc(c1c1ncco1)O C9H7NO2 wB97XD/6-311G(d,p) integral=grid=ultrafine scrf(cpcm,solvent=chlorof Organic Chemistry