DOI: 10.14469/hpc/14914 Metadata

Created: 2025-01-11 15:17

Last modified: 2025-01-11 16:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
Test.gjf	432	chemical/x-gaussian-input	Gaussian input file
Test.log	13KB	chemical/x-gaussian-log	Gaussian log file
Test.fchk	94KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	781	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/CH4/h1H4
inchikey	VNWKTOKETHGBQD-UHFFFAOYSA-N

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