DOI: 10.14469/hpc/15672 Metadata

Created: 2026-01-10 11:34

Last modified: 2026-01-10 12:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
oxalic-diamide.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
oxalic-diamide.log	876KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	9MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	3KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	25MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
Gibbs_Energy	-495.809238
inchi	InChI=1S/C6H12N2O2/c1-7(2)5(9)6(10)8(3)4/h1-4H3
inchikey	GJTUWWUXLICYQX-UHFFFAOYSA-N

Edit