OF4 Td
DOI: 10.14469/hpc/3008 Metadata
Created: 2017-08-24 17:32
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 | 3KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 489KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 713 | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/F2O.2F/c1-3-2;; |
inchi | InChI=1S/F4O/c1-5(2,3)4 |
inchi | InChI=1S/F2O.2F/c1-3-2;; |
inchikey | VGXCNCLVLJMFQN-UHFFFAOYSA-N |
inchikey | KTKNKSCEZPAUNK-UHFFFAOYSA-N |
inchikey | VGXCNCLVLJMFQN-UHFFFAOYSA-N |