DOI: 10.14469/hpc/10149 Metadata

Created: 2022-02-15 13:23

Last modified: 2022-02-15 14:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

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

Member of collection / collaboration

DOI	Description
10.14469/hpc/10106	Chasing ever higher bond orders; the strange case of beryllium.

Subject Keywords

Keyword	Value
Gibbs_Energy	-59.804698
inchi	InChI=1S/8Li
inchikey	WOLIAESIUXVNML-UHFFFAOYSA-N

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