Cl(-),G = -460.417093
DOI: 10.14469/hpc/13371 Metadata
Created: 2023-11-06 16:14
Last modified: 2024-06-23 07:49
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| HCl.gjf | 220 | chemical/x-gaussian-input | Gaussian input file |
| HCl.log | 25KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 154KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 236 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14360 | Cyclopentene synthesis by dimerisation of methylene cyclopropanes: Computational data@ Def2-TZVPP |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/12641 | HCl |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -460.417093 |
| inchi | InChI=1S/Cl |
| inchikey | ZAMOUSCENKQFHK-UHFFFAOYSA-N |