S(CF)2 WFN
DOI: 10.14469/hpc/3329 Metadata
Created: 2017-11-28 15:27
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 483 | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 170KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 796 | application/xml | Optimised geometry |
wavefunction.wfn | 110KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C2F2S/c3-1-5-2-4 |
inchikey | FELLGZRVAXTINM-UHFFFAOYSA-N |