VAJHAP, candidate for largest angle at 4-coordinate carbon => none
DOI: 10.14469/hpc/11154 Metadata
Created: 2022-09-12 07:08
Last modified: 2022-09-12 08:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| VAJHAP-none.gjf | 740 | chemical/x-gaussian-input | Gaussian input file |
| VAJHAP-none.log | 193KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 2MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 1KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11148 | What is the largest angle possible at 4-coordinate carbon? |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -193.900281 |
| inchi | InChI=1S/C5H6/c1-3-4-2-5(1,3)4/h3-4H,1-2H2/t3-,4-,5+/m1/s1 |
| inchikey | GHDAYTRZNHKEBO-WDCZJNDASA-N |