catena BeMe2 C2
DOI: 10.14469/hpc/10110 Metadata
Created: 2022-02-06 07:21
Last modified: 2022-02-07 07:42
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
Be2Li6-3-2-2-3.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
Be2Li6-3-2-2-3.log | 568KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
opt.cml | 3KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
Gibbs_Energy | -298.174899 |
inchi | InChI=1S/6CH3.4Be/h6*1H3;;;; |
inchikey | ZYWJUUHLQADRLF-UHFFFAOYSA-N |