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Gaussian Job Archive for C5H7F6NO4
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C3H5F3NO.C2F3O2.H2O/c1-7-2(8)3(4,5)6;3-2(4,5)1(6)7;/h7-8H,1H3;;1H2wB97XD/6-311G(d,p)Freqopt=(calcfc,ts,noeigentest)frrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC5H7F6NO4[C](C(F)(F)F)(NC)O.O.C(=O)(C(F)(F)F)[O]InChIKey=WIMCLVNEYUFDCG-UHFFFAOYSA-Nscrf=(cpcm,solveOrganic Chemistry
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