He wB97XD/Def2-TZVPP G=-2.919601
DOI: 10.14469/hpc/5687 Metadata
Created: 2019-05-24 06:18
Last modified: 2019-05-24 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 317 | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 23KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 88KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 229 | 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 | -2.919601 |
inchi | InChI=1S/He |
inchikey | SWQJXJOGLNCZEY-UHFFFAOYSA-N |