SCl6 Def2-TZVPP NBO 2-
DOI: 10.14469/hpc/3763 Metadata
Created: 2018-03-04 18:19
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 608 | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 801KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 3MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 930 | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/Cl6S/c1-7(2,3,4,5)6 |
| inchikey | GQGKWSAYNSDSDR-UHFFFAOYSA-N |