Gaussian Job Archive for C16H10N2O2 Henry S. Rzepa 10.6084/m9.figshare.103120.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C16H10N2O2/103120 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2012-12-06 09:00:42 InChI=1S/C16H10N2O2/c17-15(12-7-3-1-4-8-12)14(16(19)20)11-18-13-9-5-2-6-10-13/h1-10H InChIKey=YAYKCBISWGWCHW-UHFFFAOYSA-N C(=[N])([C](C(=O)[O])[C][N]c1ccccc1)c1ccccc1 C16H10N2O2 rwb97xd/6-311G(d,p) integral=grid=ultrafine stable Organic Chemistry