%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C16H10N2O2 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C16H10N2O2/99881 %R 10.6084/m9.figshare.99881.v1 %2 https://ndownloader.figshare.com/files/226968 %2 https://ndownloader.figshare.com/files/226969 %2 https://ndownloader.figshare.com/files/226970 %2 https://ndownloader.figshare.com/files/226971 %2 https://ndownloader.figshare.com/files/226972 %K InChI=1S/C16H10N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)15(18-20-16)12-7-3-1-4-8-12/h1-10H %K InChIKey=MVAWFLGGPKWYNF-UHFFFAOYSA-N %K C1(=NOC(=O)[C]1[C][N]c1ccccc1)c1ccccc1 %K C16H10N2O2 %K irc=(maxpoints=150,calcfc,recalc=5,maxcycle=40,tight,cartesian) %K rwb9 %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare