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

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculation

Files

FilenameSizeTypeDescription
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

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Subject Keywords

KeywordValue
inchi InChI=1S/N4/c1-3-2-4(1)3
inchikey SPUADCDNBOMZCA-UHFFFAOYSA-N

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