TY - DATA T1 - Gaussian Job Archive for C5H4O3 PY - 2012/11/17 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H4O3/97664 DO - 10.6084/m9.figshare.97664.v1 L4 - https://ndownloader.figshare.com/files/223974 L4 - https://ndownloader.figshare.com/files/223975 L4 - https://ndownloader.figshare.com/files/223976 L4 - https://ndownloader.figshare.com/files/223977 L4 - https://ndownloader.figshare.com/files/223978 KW - InChI=1S/C5H4O3/c1-3-2-4(6)5(7)8-3/h2H,1H3 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 - C5H4O3 KW - C1(=CC(=O)C(=O)O1)C KW - InChIKey=XWWOSPUPAFVYDK-UHFFFAOYSA-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 -