Phenyl beryllium fluoride, o, GP, G = -346.591330
DOI: 10.14469/hpc/15372 Metadata
Created: 2025-07-13 08:47
Last modified: 2025-07-13 09:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| phenylberylliumfluoride-o.gjf | 933 | chemical/x-gaussian-input | Gaussian input file |
| phenylberylliumfluoride-o.log | 346KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 15MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 2KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 33MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -346.591330 |
| inchi | InChI=1S/C6H6.Be.FH/c1-2-4-6-5-3-1;;/h1-4H,5H2;;1H/q;+1;/p-1 |
| inchikey | ULUJOQQJQMWNNL-UHFFFAOYSA-M |