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Gaussian Job Archive for C3H6I2Zn

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posted on 2014-12-13, 17:24 authored by Henry S. RzepaHenry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C2H4.CH2.2HI.Zn/c1-2;;;;/h1-2H2;1H2;2*1H;/q;;;;+2/p-2wB97XD/Genpseudo=readopt(calcfc,ts,noeigentest,cartesian)FreqRwB97XD/ChkBasGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC3H6I2ZnC=C.[CH2][Zn](I)IInChIKey=VLSKZBWWEMFOHI-UHFFFAOYSA-LscrOrganic Chemistry

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