(CO)3CoCCCo(CO)3 2+ G = -3520.836281
DOI: 10.14469/hpc/7553 Metadata
Created: 2020-11-13 06:03
Last modified: 2020-11-13 11:01
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 448KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 13MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 2KB | 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 |
---|---|
Gibbs_Energy | -3520.836281 |
inchi | InChI=1S/C2.6CO.2Co/c7*1-2;; |
inchikey | HMSVZGFFOGLUCJ-UHFFFAOYSA-N |