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Gaussian Job Archive for C6H4N2O3
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posted on 2012-07-20, 16:07
authored by
M J Harvey
M J Harvey
Gaussian Job Archive
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Organic chemistry not elsewhere classified
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
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CC BY 4.0
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