TY - DATA T1 - Gaussian Job Archive for C5H14N2O3S PY - 2012/10/04 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H14N2O3S/96301 DO - 10.6084/m9.figshare.96301.v1 L4 - https://ndownloader.figshare.com/files/100344 L4 - https://ndownloader.figshare.com/files/100345 L4 - https://ndownloader.figshare.com/files/100346 L4 - https://ndownloader.figshare.com/files/100347 L4 - https://ndownloader.figshare.com/files/100348 KW - InChI=1S/C3H10N.CHN.CH3O3S/c1-4(2)3;1-2;1-5(2,3)4/h4H,1-3H3;2H;1H3 KW - InChIKey=NWJGQQJAQFTGOC-UHFFFAOYSA-N KW - [NH][C].O=S(=O)([O])C.[NH](C)(C)C KW - C5H14N2O3S KW - irc=(maxpoints=200,recalc=4,calcfc,maxcycle=40,tight,cartesian,steps KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -