TY - DATA T1 - Gaussian Job Archive for C2H6 PY - 2012/08/14 AU - M J Harvey UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H6/94283 DO - 10.6084/m9.figshare.94283.v1 L4 - https://ndownloader.figshare.com/files/96655 L4 - https://ndownloader.figshare.com/files/96656 L4 - https://ndownloader.figshare.com/files/96657 L4 - https://ndownloader.figshare.com/files/96658 L4 - https://ndownloader.figshare.com/files/96659 KW - InChI=1S/C2H6/c1-2/h1-2H3 KW - Pop=(Minimal) KW - Freq KW - RHF/STO-3G KW - GenChk KW - SCRF=Check KW - Guess=TCheck KW - Geom=AllCheck KW - #N KW - C2H6 KW - cc KW - InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N KW - opt KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -