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Gaussian Job Archive for C15H25NO3

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posted on 2013-07-26, 15:10 authored by Nicholas MasonNicholas Mason
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C11H16NO2.C4H9O/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;1-4(2)3-5/h5,10H,1-4,6-8H2;3-5H,1-2H3/t10-;/m0./s1b3lyp/TZVPopt=(calcfc,ts,noeigentest,tight)Freq\\CyclFreqRB3LYP/TZVPGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#PC15H25NO3[CH](C(C)C)O.C1C[C]([CH]CC1)N1[C@@H](CCC1)C(=O)[O]InChIKey=DLZPEYSPJMFFBO-PPHPATTJSA-Nint=grid=ultrafinOrganic Chemistry

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