Gaussian Job Archive for C3H6I2Zn Henry S. Rzepa 10.6084/m9.figshare.1270384.v1 https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C3H6I2Zn/1270384 Archive of work produced using the resources of the Imperial College High Performance Computing Service. 2014-12-13 17:24:26 InChI=1S/C2H4.CH2.2HI.Zn/c1-2;;;;/h1-2H2;1H2;2*1H;/q;;;;+2/p-2 wB97XD/Gen pseudo=read opt(calcfc,ts,noeigentest,cartesian) Freq RwB97XD/ChkBas GenChk SCRF=Check Guess=TCheck Geom=AllCheck #N C3H6I2Zn C=C.[CH2][Zn](I)I InChIKey=VLSKZBWWEMFOHI-UHFFFAOYSA-L scr Organic Chemistry