UTETEU as O2 triplet only, G = -150.351051
DOI: 10.14469/hpc/12539 Metadata
Created: 2023-05-07 15:26
Last modified: 2023-05-07 16:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| UTETEU.gjf | 217 | chemical/x-gaussian-input | Gaussian input file |
| UTETEU.log | 110KB | chemical/x-gaussian-log | Gaussian log file |
| UTETEU.fchk | 278KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 403 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -150.351051 |
| inchi | InChI=1S/O2/c1-2 |
| inchikey | MYMOFIZGZYHOMD-UHFFFAOYSA-N |