DOI: 10.14469/hpc/12882 Metadata

Created: 2023-07-20 12:21

Last modified: 2023-08-14 10:18

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
UTETEU-4-6.gjf	241	chemical/x-gaussian-input	Gaussian input file
UTETEU-4-6.log	91KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	339KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	405	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/12584	Blue blood.

Subject Keywords

Keyword	Value
Gibbs_Energy	-150.356103
inchi	InChI=1S/O2/c1-2
inchikey	MYMOFIZGZYHOMD-UHFFFAOYSA-N

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