TY - DATA T1 - Gaussian Job Archive for C4H10O3S PY - 2012/10/06 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C4H10O3S/96328 DO - 10.6084/m9.figshare.96328.v1 L4 - https://ndownloader.figshare.com/files/100447 L4 - https://ndownloader.figshare.com/files/100448 L4 - https://ndownloader.figshare.com/files/100449 L4 - https://ndownloader.figshare.com/files/100450 L4 - https://ndownloader.figshare.com/files/100451 KW - InChI=1S/C2H6OS.2CH2O/c1-4(2)3;2*1-2/h1-2H3;2*1H2 KW - InChIKey=IEJDROPUYHVKRF-UHFFFAOYSA-N KW - C=O.[O][S](C)C.O=C KW - C4H10O3S KW - irc(calcfc,recalc=4,maxpoints=150,maxcycle=40,tight,cartesian) KW - wb97x KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -