DOI: 10.14469/hpc/15452 Metadata

Created: 2025-08-05 07:30

Last modified: 2025-08-12 16:06

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
cis-stilbene.gjf	1KB	chemical/x-gaussian-input	Gaussian input file
cis-stilbene.log	494KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	8MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	3KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	50MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/15455	The mysterious N=N double bond in nitrosobenzene dimer.

Subject Keywords

Keyword	Value
inchi	InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
inchikey	PJANXHGTPQOBST-QXMHVHEDSA-N

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