SeH4. Def2-QZVPPD, NBO

DOI: 10.14469/hpc/3473 Metadata

Created: 2017-12-19 16:57

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 4KB chemical/x-gaussian-input Gaussian input file
gaussian.log 598KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 2MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 715 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/H2Se.2H/h1H2;;
inchi InChI=1S/H4Se/h1H4
inchi InChI=1S/H2Se.2H/h1H2;;
inchikey MBGLACLURPUIHW-UHFFFAOYSA-N
inchikey HXEPUVKUFPFYPY-UHFFFAOYSA-N
inchikey MBGLACLURPUIHW-UHFFFAOYSA-N

Edit