TY - DATA T1 - Gaussian Job Archive for C11H9NO2 PY - 2012/11/16 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C11H9NO2/97643 DO - 10.6084/m9.figshare.97643.v1 L4 - https://ndownloader.figshare.com/files/223942 L4 - https://ndownloader.figshare.com/files/223943 L4 - https://ndownloader.figshare.com/files/223944 L4 - https://ndownloader.figshare.com/files/223945 L4 - https://ndownloader.figshare.com/files/223946 KW - InChI=1S/C11H9NO2/c1-8-10(11(13)14-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7- KW - Freq KW - opt KW - fr KW - rwb97xd/6-311G(d,p) KW - GenChk KW - SCRF=Check KW - Guess=TCheck KW - Geom=AllCheck KW - #N KW - C11H9NO2 KW - C1(=NOC(=O)C1=Cc1ccccc1)C KW - InChIKey=KNHMTOFSFRMLRQ-YFHOEESVSA-N KW - integral=grid=ultrafine KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -