DOI: 10.14469/hpc/12817 Metadata

Created: 2023-07-07 09:39

Last modified: 2023-07-23 09:00

Author: Chenlin Cai

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
HCl (1).gjf	336	chemical/x-gaussian-input	Gaussian input file
HCl (1).log	134KB	chemical/x-gaussian-log	Gaussian log file
HCl.fchk	215KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	384	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/12674	Chenlin's 1st project

Subject Keywords

Keyword	Value
Gibbs_Energy	-460.850870
inchi	InChI=1S/ClH/h1H
inchikey	VEXZGXHMUGYJMC-UHFFFAOYSA-N

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