DOI: 10.14469/hpc/12618 Metadata

Created: 2023-05-29 09:26

Last modified: 2023-05-30 08:27

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
73706-2.gjf	2KB	chemical/x-gaussian-input	Gaussian input file
73706-2.log	6MB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	7MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	5KB	chemical/x-cml	Optimised geometry
rawbinaryarray.baf	11MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/2097	Error

Subject Keywords

Keyword	Value
inchi	InChI=1S/C20H21/c1-3-7-16(8-4-1)15-20(13-14-20)19(18-11-12-18)17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2/t19-/m0/s1
inchikey	OWFSMBVJDDEYRN-IBGZPJMESA-N

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