DOI: 10.14469/hpc/15305 Metadata

Created: 2025-06-30 06:47

Last modified: 2026-01-06 14:59

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
N2.gjf	200	chemical/x-gaussian-input	Gaussian input file
N2.log	80KB	chemical/x-gaussian-log	Gaussian log file
N2.fchk	617KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	376	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	8MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/15660	New neutral nitrogen allotrope

Associated DOIs

Current dataset ...	DOI	Description
References	10.14469/hpc/15308	N10

Subject Keywords

Keyword	Value
Gibbs_Energy	-109.551165
inchi	InChI=1S/N2/c1-2
inchikey	IJGRMHOSHXDMSA-UHFFFAOYSA-N

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