Gaussian Job Archive for C6H4N2O3

Name: Gaussian Job Archive for C6H4N2O3
Published: 2012-07-21T21:13:53+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: InChI=1/C6H7N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4,7,9H,(H,10,11), InChIKey=OBQOOWQZKNXHJE-UHFFFAOYSA-N, c1cc([N](O)=O)ccc1NO, C6H4N2O3, wB97XD/6-311G(d,p), scrf(cpcm,solvent=water), #, irc=(maxpoints=150,rec, Organic Chemistry

dataset