C4O6 dioxetane form, G = -603.582951
DOI: 10.14469/hpc/10635 Metadata
Created: 2022-06-26 08:42
Last modified: 2022-06-26 09:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| C4O6-ts-2-2-3-3-3-4-2.gjf | 730 | chemical/x-gaussian-input | Gaussian input file |
| C4O6-ts-2-2-3-3-3-4-2.log | 322KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 4MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 1KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -603.582951 |
| inchi | InChI=1S/C4O6/c5-1-2(6)8-4-3(7-1)9-10-4 |
| inchikey | NNLUCLOXIMKLJO-UHFFFAOYSA-N |