DOI: 10.14469/hpc/15309 Metadata

Created: 2025-06-30 10:39

Last modified: 2026-01-06 14:53

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
N10-non-planar-3.gjf	696	chemical/x-gaussian-input	Gaussian input file
N10-non-planar-3.log	399KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	13MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	1KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	25MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/15660	New neutral nitrogen allotrope

Subject Keywords

Keyword	Value
Gibbs_Energy	-547.217287
inchi	InChI=1S/N10/c1-4-7-10(8-5-2)9-6-3
inchikey	XLVKVJQDFTZNAG-UHFFFAOYSA-N

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