1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione, Cs symmetry NBO
DOI: 10.14469/hpc/12447 Metadata
Created: 2023-04-05 08:33
Last modified: 2023-04-10 16:36
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 1,3,5-tri-tert-butyl-1,3,5-triazinane-2,4,6-trione-6.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| 1,3,5-tri-tert-butyl-1,3,5-triazinane-2,4,6-trione-6.log | 361KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 10MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 3KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3 |
| inchikey | AHWDQDMGFXRVFB-UHFFFAOYSA-N |