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Gaussian Job Archive for C6H13F5O5S
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C4H8F5O2S.C2H3O2.H2O/c1-11-3-4(2-10)12(5,6,7,8)9;1-2(3)4;/h4,10H,1-3H2;1H3;1H2/t4-;;/m1../s1wB97XD/6-311G(d,p)Freqopt=(calcfc,ts,noeigentest)frrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC6H13F5O5SC([C@@H](CO)S(F)(F)(F)(F)F)O[CH2].O.O=C(C)[O]InChIKey=CJIFNPZQKZYQJL-RZFWHQLPSA-Nscrf=(cpcm,solveOrganic Chemistry
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