N4, D2h, CCSD(T)/Def2-TZVPPD
DOI: 10.14469/hpc/10258 Metadata
Created: 2022-03-19 14:59
Last modified: 2022-03-19 16:02
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N4a.fchk | 977KB | chemical/x-gaussian-checkpoint | Gaussian checkpoint file |
| N4-d2h-wB97XD.log | 103KB | chemical/x-gaussian-log | Gaussian log file |
| N4-d2h.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/N4/c1-3-2-4(1)3 |
| inchikey | SPUADCDNBOMZCA-UHFFFAOYSA-N |