UTETEU, CO singlet, G = -113.199306
DOI: 10.14469/hpc/12572 Metadata
Created: 2023-05-22 06:31
Last modified: 2023-05-25 07:33
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| UTETEU-3-2.gjf | 213 | chemical/x-gaussian-input | Gaussian input file |
| UTETEU-3-2.log | 70KB | chemical/x-gaussian-log | Gaussian log file |
| UTETEU.fchk | 117KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 386 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/12584 | Blue blood. |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -113.199306 |
| inchi | InChI=1S/CO/c1-2 |
| inchikey | UGFAIRIUMAVXCW-UHFFFAOYSA-N |