HF (2-)

DOI: 10.14469/hpc/3275 Metadata

Created: 2017-11-15 16:40

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 2KB chemical/x-gaussian-input Gaussian input file
gaussian.log 229KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 217KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 278 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/FH.H2/h2*1H
inchi InChI=1S/FH/h1H
inchi InChI=1S/F.H
inchikey OSFANLNADOSLTO-UHFFFAOYSA-N
inchikey KRHYYFGTRYWZRS-UHFFFAOYSA-N
inchikey FSBYCFKRRGSKMZ-UHFFFAOYSA-N

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