C 11 H 9 N 1 O 2

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C 11 H 9 N 1 O 2

dc.contributor Henry S Rzepa
dc.date.accessioned 2012-11-22T09:13:35Z
dc.date.available 2012-11-22T09:13:35Z
dc.date.issued 2012-11-22
dc.identifier InChI=1S/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
dc.identifier InChIKey=BWQBTJRPSDVWIR-JXMROGBWSA-N
dc.identifier.uri http://hdl.handle.net/10042/21964
dc.identifier.uri http://dx.doi.org/10.14469/ch/15925
dc.description # freq rwb97xd/6-311g(d,p) opt integral=grid=ultrafine
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title C 11 H 9 N 1 O 2
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 1.486Kb chemical/x-gaussian-input View/Open
logfile.log 644.1Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 918.1Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 3.031Kb chemical/x-cml View/Open
inchi.txt 110bytes chemical/x-inchi View/Open
smiles.txt 28bytes chemical/x-smiles View/Open
wavefunction.wfn 0bytes chemical/x-wavefunction View/Open
description.txt 128bytes Text file View/Open
archive-cml-1.xml 5.362Kb chemical/x-cml View/Open
archive-cml-2.xml 7.933Kb chemical/x-cml View/Open

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