DOI: 10.14469/hpc/10667 Metadata

Created: 2022-07-12 01:00

Last modified: 2022-07-21 08:34

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
NbF.gjf	314	chemical/x-gaussian-input	Gaussian input file
NbF.log	151KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	394KB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	378	chemical/x-cml	Optimised geometry

Member of collection / collaboration

DOI	Description
10.14469/hpc/333	blog

Subject Keywords

Keyword	Value
inchi	InChI=1S/FH.Nb/h1H;/q;+1/p-1
inchikey	BVVRDUYYHIBIRQ-UHFFFAOYSA-M

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