TY - DATA T1 - Gaussian Job Archive for C10H8N2O2 PY - 2012/11/19 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C10H8N2O2/97741 DO - 10.6084/m9.figshare.97741.v1 L4 - https://ndownloader.figshare.com/files/224112 L4 - https://ndownloader.figshare.com/files/224113 L4 - https://ndownloader.figshare.com/files/224114 L4 - https://ndownloader.figshare.com/files/224115 L4 - https://ndownloader.figshare.com/files/224116 KW - InChI=1S/C10H8N2O2/c1-7-9(13)10(14)12(11-7)8-5-3-2-4-6-8/h2-6H,1H3 KW - InChIKey=WZHUUJNRNMODNQ-UHFFFAOYSA-N KW - C1(=NN(C(=O)C1=O)c1ccccc1)C KW - C10H8N2O2 KW - rwb97xd/6-311G(d,p) KW - irc=(maxpoints=58,calcfc,recalc=5,maxcycle=40,ti KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -