Gaussian Job Archive for C11H9NO2 Henry S. Rzepa 10.6084/m9.figshare.97641.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C11H9NO2/97641 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2012-11-16 10:25:05 InChI=1S/C11H9NO2/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7- InChIKey=CFJGDUUCXLGMQP-YFHOEESVSA-N C(=[N])([C]([CH]c1ccccc1)C(=O)[O])C C11H9NO2 rwb97xd/6-311G(d,p) irc=(maxpoints=150,recalc=4,calcfc,maxcycle=40,t Organic Chemistry