SOBWAH, XeF5 wfn DZP anion

DOI: 10.14469/hpc/664 Metadata

Created: 2016-06-17 13:50

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 102KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 355KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 629 chemical/x-cml Optimised geometry
wavefunction.wfn 223KB chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/662 XeF5

Subject Keywords

KeywordValue
inchi InChI=1S/5FH.Xe/h5*1H;
inchi InChI=1S/5F.Xe
inchikey FJOVYPPSUGGPQQ-UHFFFAOYSA-N
inchikey ORSMVLJAQNFZQR-UHFFFAOYSA-N

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