Cl 1 F 3

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Cl 1 F 3

dc.contributor Henry S Rzepa
dc.date.accessioned 2013-07-29T05:58:11Z
dc.date.available 2013-07-29T05:58:11Z
dc.date.issued 2013-07-29
dc.identifier InChI=1S/ClF.2F/c1-2;;
dc.identifier InChIKey=LWCSGONZUGPMHI-UHFFFAOYSA-N
dc.identifier.uri http://hdl.handle.net/10042/24916
dc.identifier.uri http://dx.doi.org/10.14469/ch/18877
dc.description # opt freq rwb97xd/6-311++g(d,p) integral=grid=ultrafine output=wfn po
dc.publisher Imperial College London
dc.rights Henry S Rzepa
dc.title Cl 1 F 3
dc.type Gaussian job archive


Files in this item

Files Size Format View
input.gjf 437bytes chemical/x-gaussian-input View/Open
logfile.log 387.2Kb chemical/x-gaussian-log View/Open
checkpoint.fchk.gz 75.00Kb chemical/x-gaussian-checkpoint View/Open
cml.xml 586bytes chemical/x-cml View/Open
inchi.txt 60bytes chemical/x-inchi View/Open
smiles.txt 12bytes chemical/x-smiles View/Open
wavefunction.wfn 61.99Kb chemical/x-wavefunction View/Open
description.txt 144bytes Text file View/Open
archive-cml-1.xml 2.538Kb chemical/x-cml View/Open
archive-cml-2.xml 3.035Kb chemical/x-cml View/Open

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