FSiMe3 G = -1262.726968
DOI: 10.14469/hpc/9890 Metadata
Created: 2021-11-03 07:11
Last modified: 2021-11-03 14:31
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| PhIFCCSiMe3-6.gjf | 976 | chemical/x-gaussian-input | Gaussian input file |
| PhIFCCSiMe3-6.log | 225KB | chemical/x-gaussian-log | Gaussian log file |
| PhIFCCSiMe3.fchk | 607KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 2KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1262.726968 |
| inchi | InChI=1S/FH9Si4/c1-5(2,3)4/h2-4H3 |
| inchikey | PZWSRLPWDHLFDT-UHFFFAOYSA-N |