Phenyl beryllium fluoride, m, DCM G = -346.684877 (-58.47) NBO7
DOI: 10.14469/hpc/15396 Metadata
Created: 2025-07-17 16:02
Last modified: 2025-07-21 14:37
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| PhBeF-m.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| PhBeF-m.log | 482KB | 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 | -346.684877 |
| inchi | InChI=1S/C6H6.Be.FH/c1-2-4-6-5-3-1;;/h1-3,6H,4H2;;1H/q;+1;/p-1 |
| inchikey | WUVIVOZILZDVOW-UHFFFAOYSA-M |