DOI: 10.14469/hpc/10110 Metadata

Created: 2022-02-06 07:21

Last modified: 2022-02-07 07:42

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
Be2Li6-3-2-2-3.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
Be2Li6-3-2-2-3.log	568KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	5MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	3KB	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
Gibbs_Energy	-298.174899
inchi	InChI=1S/6CH3.4Be/h6*1H3;;;;
inchikey	ZYWJUUHLQADRLF-UHFFFAOYSA-N

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