DOI: 10.14469/hpc/15288 Metadata

Created: 2025-06-17 15:42

Last modified: 2025-06-17 16:42

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
checkpoint-16.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
checkpoint-16.log	7MB	chemical/x-gaussian-log	Gaussian log file
checkpoint-16.fchk	7MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	2KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	16MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/13171	The "double-headed" Curly arrow in mechanistic representations

Subject Keywords

Keyword	Value
inchi	InChI=1S/C3H6O2.CH4O.ClH/c1-3(4)5-2;1-2;/h1-2H3;2H,1H3;1H
inchikey	GJPAZJDVXYMLDD-UHFFFAOYSA-N

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