DOI: 10.14469/hpc/11107 Metadata

Created: 2022-09-01 09:13

Last modified: 2022-09-01 10:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
checkpoint-49.gjf	2KB	chemical/x-gaussian-input	Gaussian input file
checkpoint-49.log	32KB	chemical/x-gaussian-log	Gaussian log file
checkpoint-49.fchk	4MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	1KB	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/C4F4/c5-1-2(6)3(1,7)4(1,2)8/t1-,2+,3-,4+
inchikey	UGHUNVCBJXXYMD-GNSDDBTRSA-N

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