NBO7Read
DOI: 10.14469/hpc/13718 Metadata
Created: 2024-01-30 14:32
Last modified: 2024-01-30 15:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| test.gjf | 609 | chemical/x-gaussian-input | Gaussian input file |
| test.log | 94KB | chemical/x-gaussian-log | Gaussian log file |
| test.fchk | 960KB | 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 |
|---|---|
| inchi | InChI=1S/C2H6/c1-2/h1-2H3 |
| inchikey | OTMSDBZUPAUEDD-UHFFFAOYSA-N |