DOI: 10.14469/hpc/14673 Metadata

Created: 2024-10-12 16:29

Last modified: 2024-10-16 07:49

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
HMS.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
HMS.log	660KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	18MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	3KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	33MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
Gibbs_Energy	-818.121039
inchi	InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3
inchikey	NEXSMEBSBIABKL-UHFFFAOYSA-N

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