Be2 (2-) Wiberg excited singlet

DOI: 10.14469/hpc/3083 Metadata

Created: 2017-09-16 09:12

Last modified: 2017-12-04 20:54

Author: Henry Rzepa

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 340 chemical/x-gaussian-input Gaussian input file
gaussian.log 119KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 163KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 384 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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