Be2Li6 WFN

DOI: 10.14469/hpc/10103 Metadata

Created: 2022-02-05 07:28

Last modified: 2022-02-07 07:42

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
Be2Li6-3.gjf 432 chemical/x-gaussian-input Gaussian input file
Be2Li6-3.log 245KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 823KB chemical/x-gaussian-checkpoint Formatted checkpoint file
a.wfn 366KB chemical/x-gaussian-wavefunction Wavefunction file
opt.cml 1KB chemical/x-cml Optimised geometry

Member of collection / collaboration

DOIDescription
10.14469/hpc/10106 Chasing ever higher bond orders; the strange case of beryllium.

Subject Keywords

KeywordValue
inchi InChI=1S/2Be.6Li
inchikey DCNFRVDWWKEKMZ-UHFFFAOYSA-N

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