DOI: 10.14469/hpc/11163 Metadata

Created: 2022-09-15 08:02

Last modified: 2022-09-18 07:15

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
checkpoint-56.gjf	477	chemical/x-gaussian-input	Gaussian input file
checkpoint-56.log	1MB	chemical/x-gaussian-log	Gaussian log file
checkpoint-56.fchk	1MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	827	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/C2O3/c3-2-4-1-5-2
inchikey	QJHBOUPWBMGREN-UHFFFAOYSA-N

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