cyclopropenylidene
DOI: 10.14469/hpc/8714 Metadata
Created: 2021-08-15 08:16
Last modified: 2021-08-15 09:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| cyclopropenylidene.gjf | 482 | chemical/x-gaussian-input | Gaussian input file |
| cyclopropenylidene.log | 133KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 242KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 834 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -115.218269 |
| inchi | InChI=1S/C3H2/c1-2-3-1/h1-2H |
| inchikey | VVLPCWSYZYKZKR-UHFFFAOYSA-N |