NF5 D3h

DOI: 10.14469/hpc/3762 Metadata

Created: 2018-03-04 12:44

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 553 chemical/x-gaussian-input Gaussian input file
gaussian.log 614KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 2MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 795 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3352 Hypervalence and octet-expansion in sulfur hexafluoride.

Subject Keywords

KeywordValue
inchi InChI=1S/F4N.F/c1-5(2,3)4;
inchi InChI=1S/F5N/c1-6(2,3,4)5
inchi InChI=1S/F4N.F/c1-5(2,3)4;
inchikey CLQAKVXLXXAGFL-UHFFFAOYSA-N
inchikey IFPFUYZWFMFDTL-UHFFFAOYSA-N
inchikey CLQAKVXLXXAGFL-UHFFFAOYSA-N

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