SCl6 Def2-TZVPP NBO, S BI = 4.2678

DOI: 10.14469/hpc/3758 Metadata

Created: 2018-03-04 09:09

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 607 chemical/x-gaussian-input Gaussian input file
gaussian.log 761KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 3MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 930 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/Cl6S/c1-7(2,3,4,5)6
inchikey GQGKWSAYNSDSDR-UHFFFAOYSA-N

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