Se(Se)4 Wiberg C2v chloroform, Def2-TZVPP cpcm

DOI: 10.14469/hpc/3727 Metadata

Created: 2018-02-25 08:20

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 1KB chemical/x-gaussian-input Gaussian input file
gaussian.log 1MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 11MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 1KB application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3724 Hypervalent or not? A fluxional triselenide.

Subject Keywords

KeywordValue
inchi InChI=1S/C2H4N2Se5/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6)
inchikey BNIOHLIKIAYSHA-UHFFFAOYSA-N

Edit