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Gaussian Job Archive for C8H13ClN2O4
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C8H13O4.Cl.N2/c9-5-1-4-2-8(11)12-7(4)3-6(5)10;;1-2/h1,4-11H,2-3H2;;/t4-,5-,6-,7-,8-;;/m1../s1wB97XD/6-311G(d,p)Freqopt(calcfc,ts,noeigentest,cartesian)frrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC8H13ClN2O4[C@@H]1([C@@H]([CH][C@H]2[C@@H](C1)O[C@H](C2)O)O)O.N#N.[Cl]InChIKey=DFWDSRRMDMIJFT-FATCSWEASA-Nscrf=(cOrganic Chemistry
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