XeF8, D4d

DOI: 10.14469/hpc/10387 Metadata

Created: 2022-04-23 20:11

Last modified: 2022-04-26 17:28

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
XeF8.gjf 4KB chemical/x-gaussian-input Gaussian input file
XeF8.log 167KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 6MB chemical/x-gaussian-checkpoint Formatted checkpoint file
opt.cml 983 chemical/x-cml Optimised geometry

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
Gibbs_Energy -1127.686936
inchi InChI=1S/8FH.Xe/h8*1H;
inchi InChI=1S/F8Xe/c1-9(2,3,4,5,6,7)8
inchi InChI=1S/8F.Xe
inchikey CDIGVRPYRMDMBF-UHFFFAOYSA-N
inchikey LWBSRCQUCOHHIR-UHFFFAOYSA-N
inchikey VUBBKQIQLIUTBG-UHFFFAOYSA-N

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