DOI: 10.14469/hpc/14309 Metadata

Created: 2024-06-02 06:57

Last modified: 2024-06-02 07:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
CuN.gjf	263	chemical/x-gaussian-input	Gaussian input file
CuN.log	245KB	chemical/x-gaussian-log	Gaussian log file
CuN.fchk	455KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	378	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
Gibbs_Energy	-1695.037226
inchi	InChI=1S/Cu.N
inchikey	CMPNPRUFRJFQIB-UHFFFAOYSA-N

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