(t-butyl)3PF2 freq

DOI: 10.14469/hpc/3105 Metadata

Created: 2017-09-24 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 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 357KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 3MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 5KB application/xml Optimised geometry
wavefunction.wfn 549KB chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/C12H27F2P/c1-10(2,3)15(13,14,11(4,5)6)12(7,8)9/h1-9H3
inchi InChI=1S/C4H9F2P.2C4H9/c1-4(2,3)7(5)6;2*1-4(2)3/h1-3H3;2*1-3H3
inchi InChI=1S/C12H27F2P/c1-10(2,3)15(13,14,11(4,5)6)12(7,8)9/h1-9H3
inchikey KGAIPYOGHPWVJW-UHFFFAOYSA-N
inchikey BRWPMYDSHMRBFI-UHFFFAOYSA-N
inchikey KGAIPYOGHPWVJW-UHFFFAOYSA-N

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