C2 (2+) excited singlet with ultra-short CC bond

DOI: 10.14469/hpc/3085 Metadata

Created: 2017-09-16 09:48

Author: Henry Rzepa

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 322 chemical/x-gaussian-input Gaussian input file
gaussian.log 57KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 163KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 423 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of

DOIDescription
10.14469/hpc/333 blog

Metadata

KeyValue
inchi InChI=1S/C2/c1-2
inchikey LBVWYGNGGJURHQ-UHFFFAOYSA-N

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