C6Me6 (2+) Wiberg

DOI: 10.14469/hpc/3365 Metadata

Created: 2017-12-04 06:47

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 2KB chemical/x-gaussian-input Gaussian input file
gaussian.log 448KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 15MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 4KB application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3364 Hexacoordinate carbon and pentacoordinate Nitrogen

Subject Keywords

KeywordValue
inchi InChI=1S/C12H18/c1-7-9(3)8(2)11(5)10(7,4)12(9,11)6/h1-6H3/t9-,10+,11-,12+
inchi InChI=1S/C12H18/c1-7-8(2)10(4)11(5)9(7,3)12(7,8,10,11)6/h1-6H3/t7-,8+,9-,10+,11-
inchi InChI=1S/C12H18/c1-7-9(3)8(2)11(5)10(7,4)12(9,11)6/h1-6H3/t9-,10+,11-,12+
inchikey CWXOAQSSCMJKFD-BKUVIOGVSA-N
inchikey ATEDSQJUOGUAFR-HQUNYVMJSA-N
inchikey CWXOAQSSCMJKFD-BKUVIOGVSA-N

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