tetrafluorotetrahedrane
DOI: 10.14469/hpc/11106 Metadata
Created: 2022-09-01 09:03
Last modified: 2022-09-01 10:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
tetrahedrane.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
tetrahedrane.log | 80KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 3MB | 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/C4F4/c5-1-2(6)3(1,7)4(1,2)8/t1-,2+,3-,4+ |
inchikey | UGHUNVCBJXXYMD-GNSDDBTRSA-N |