Be2Li6 WFN
DOI: 10.14469/hpc/10103 Metadata
Created: 2022-02-05 07:28
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.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
| DOI | Description |
|---|---|
| 10.14469/hpc/10106 | Chasing ever higher bond orders; the strange case of beryllium. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/2Be.6Li |
| inchikey | DCNFRVDWWKEKMZ-UHFFFAOYSA-N |