AMPHEB C2v dimer, desymmetrized.

DOI: 10.14469/hpc/2235 Metadata

Created: 2017-03-10 14:23

Last modified: 2017-03-10 14:29

Author: Henry Rzepa

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 6KB chemical/x-gaussian-input Gaussian input file
gaussian.log 78KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 127MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 12KB application/xml Optimised geometry
wavefunction.wfn 10MB chemical/x-gaussian-wavefunction 'Wavefunction'

Member of

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Metadata

KeyValue
inchikey XZZHZIVRJGCBFX-UHFFFAOYSA-N

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