C4NMe5 dication WFN

DOI: 10.14469/hpc/3367 Metadata

Created: 2017-12-04 07:07

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 1KB chemical/x-gaussian-input Gaussian input file
gaussian.log 41KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 11MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 3KB application/xml Optimised geometry
wavefunction.wfn 481KB 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/C9H15N/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9-
inchi InChI=1S/C9H15N/c1-6-7(2)9(4)8(6,3)10(6,7,9)5/h1-5H3/t6-,7+,8-,9+
inchi InChI=1S/C9H15N/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9-
inchikey HMQWUAMAXAGMMV-AYMMMOKOSA-N
inchikey VMZMGRVKYOFTQP-SPJNRGJMSA-N
inchikey HMQWUAMAXAGMMV-AYMMMOKOSA-N

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