Be2 (2+) Wiberg

DOI: 10.14469/hpc/3076 Metadata

Created: 2017-09-16 08:31

Last modified: 2017-12-04 20:54

Author: Henry Rzepa

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 296 chemical/x-gaussian-input Gaussian input file
gaussian.log 40KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 135KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 383 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of

DOIDescription
10.14469/hpc/3381 Hyperbonds by Rydberg excitations

Metadata

KeyValue
inchi InChI=1S/2Be
inchikey SQOQGLGTQLQRCC-UHFFFAOYSA-N

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