OF4 Td

DOI: 10.14469/hpc/3008 Metadata

Created: 2017-08-24 17:32

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 489KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 1MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 713 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/F2O.2F/c1-3-2;;
inchi InChI=1S/F4O/c1-5(2,3)4
inchi InChI=1S/F2O.2F/c1-3-2;;
inchikey VGXCNCLVLJMFQN-UHFFFAOYSA-N
inchikey KTKNKSCEZPAUNK-UHFFFAOYSA-N
inchikey VGXCNCLVLJMFQN-UHFFFAOYSA-N

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