DOI: 10.14469/hpc/14676 Metadata

Created: 2024-10-13 08:20

Last modified: 2024-10-16 07:49

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
HME-11.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
HME-11.log	45KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	10MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	3KB	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/2C4H9/c2*1-4(2)3/h2*1-3H3
inchikey	CUMNQEYIQVFECE-UHFFFAOYSA-N

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