Harvey, M J Gaussian Job Archive for C6H5NO Gaussian Job Archive 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 2012-07-20
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C6H5NO/93083
10.6084/m9.figshare.93083.v1