Gaussian Job Archive for C6H5NO

Name: Gaussian Job Archive for C6H5NO
Published: 2012-07-20T16:07:24+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H, Freq, wB97XD/6-311G(d,p), opt, fr, rwb97xd/6-311G(d,p), GenChk, SCRF=Check, Guess=TCheck, Geom=AllCheck, #N, C6H5NO, c1c(cccc1)[N][O], InChIKey=NLRKCXQQSUWLCH-UHFFFAOYSA-N, output=wfn, Organic Chemistry

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