ClO2 Wiberg
DOI: 10.14469/hpc/14525 Metadata
Created: 2024-08-12 10:06
Last modified: 2024-08-13 14:09
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| ClO2.gjf | 339 | chemical/x-gaussian-input | Gaussian input file |
| ClO2.log | 169KB | chemical/x-gaussian-log | Gaussian log file |
| ClO2.fchk | 794KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 500 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/ClO.O/c1-2; |
| inchi | InChI=1S/ClHO2/c2-1-3/h1H |
| inchi | InChI=1S/ClO.O/c1-2; |
| inchikey | JAOIWBGCOIPZFH-UHFFFAOYSA-N |
| inchikey | YIRGBFIKWFVYMK-UHFFFAOYSA-N |
| inchikey | JAOIWBGCOIPZFH-UHFFFAOYSA-N |