Dinesh, single Mobius, F migrating, 2+
DOI: 10.14469/hpc/7879 Metadata
Created: 2021-02-13 10:04
Last modified: 2021-06-05 07:18
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 | 841KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 1MB | 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 | -447.296520 |
inchi | InChI=1S/C9H9F/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4- |
inchikey | INZLZTHXPOJSCN-DAXSKMNVSA-N |