DOI: 10.14469/hpc/11236 Metadata

Created: 2022-09-28 13:08

Last modified: 2022-09-30 08:42

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
H2.gjf	228	chemical/x-gaussian-input	Gaussian input file
H2.log	18KB	chemical/x-gaussian-log	Gaussian log file
H2.fchk	78KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	376	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/H2/h1H
inchikey	UFHFLCQGNIYNRP-UHFFFAOYSA-N

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