VAJHAP, candidate for largest angle at 4-coordinate carbon => none, is the wavefunction stable?

DOI: 10.14469/hpc/11155 Metadata

Created: 2022-09-12 07:16

Last modified: 2022-09-12 08:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
VAJHAP-none-2.gjf 753 chemical/x-gaussian-input Gaussian input file
VAJHAP-none-2.log 329KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 12MB chemical/x-gaussian-checkpoint Formatted checkpoint file
opt.cml 1KB chemical/x-cml Optimised geometry

Member of collection / collaboration

DOIDescription
10.14469/hpc/11148 What is the largest angle possible at 4-coordinate carbon?

Subject Keywords

KeywordValue
inchi InChI=1S/C5H6/c1-3-4-2-5(1,3)4/h3-4H,1-2H2/t3-,4-,5+/m1/s1
inchikey GHDAYTRZNHKEBO-WDCZJNDASA-N

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