11B 3 (bridging O)

DOI: 10.14469/hpc/1750 Metadata

Created: 2016-10-06 11:03

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 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 2MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 23MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 5KB chemical/x-cml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/312 Amide

Subject Keywords

KeywordValue
inchi InChI=1S/C8H25B2N4O/c1-11(2)9(12(3)4)15-10(13(5)6)14(7)8/h11H,1-8H3
inchikey QHKYDFNOLMHCAM-UHFFFAOYSA-N
inchikey Try -H option for more information.
inchikey QHKYDFNOLMHCAM-UHFFFAOYSA-N

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