Gaussian Job Archive for CsF3 Henry S. Rzepa 10.6084/m9.figshare.861038.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_CsF3/861038 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2013-11-23 20:21:06 InChI=1S/Cs.FH.2F/h;1H;;/q+1;;;/p-1 InChIKey=MISFFOMKMJWRAJ-UHFFFAOYSA-M F[Cs].[F].[F] csf3 wB97XD/Gen integral=grid=ultrafine # irc(reverse,calcall,maxpoints=1 Organic Chemistry