DOI: 10.14469/hpc/10107 Metadata

Created: 2022-02-05 15:21

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.gjf	500	chemical/x-gaussian-input	Gaussian input file
Be2Li6-3-2.log	2MB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	728KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
a.wfn	67KB	chemical/x-gaussian-wavefunction	Wavefunction 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
inchi	InChI=1S/2Be.6Li
inchikey	DCNFRVDWWKEKMZ-UHFFFAOYSA-N

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