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Gaussian Job Archive for C18H23NO3

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posted on 2013-07-25, 16:44 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.C7H7O/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1b3lyp/TZVPopt=(calcfc,ts,noeigentest,tight)Freq\\CyclFreqRB3LYP/TZVPGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#PC18H23NO3[CH](c1ccccc1)O.C1[C@H](N([C]2[CH]CCCC2)CC1)C(=O)[O]InChIKey=ASDIUXRTGCHHNU-PPHPATTJSA-Nint=grid=ultrafinOrganic Chemistry

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