Be2 singlet Wiberg

DOI: 10.14469/hpc/3082 Metadata

Created: 2017-09-16 08:41

Last modified: 2017-12-04 20:53

Author: Henry Rzepa

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 327 chemical/x-gaussian-input Gaussian input file
gaussian.log 137KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 137KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 309 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

Edit