Gaussian Job Archive for C6H4N2O3

Name: Gaussian Job Archive for C6H4N2O3
Published: 2012-07-20T16:07:27+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: InChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H, InChIKey=IDZTUECABAHWLE-UHFFFAOYSA-N, c1c(ccc(c1)N(=O)=O)[N][O], C6H4N2O3, opt, wB97XD/6-311G(d,p), Freq, output=wfn, Organic Chemistry

dataset