test
DOI: 10.14469/hpc/15022 Metadata
Created: 2025-03-03 06:45
Last modified: 2025-03-03 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| test.gjf | 390 | chemical/x-gaussian-input | Gaussian input file |
| test.log | 70KB | chemical/x-gaussian-log | Gaussian log file |
| test.fchk | 119KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 779 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -40.435973 |
| inchi | InChI=1S/CH4/h1H4 |
| inchikey | VNWKTOKETHGBQD-UHFFFAOYSA-N |