C5H4 He (2+) NBO

DOI: 10.14469/hpc/3592 Metadata

Created: 2018-02-02 14:08

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 795 chemical/x-gaussian-input Gaussian input file
gaussian.log 224KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 4MB 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/3587 Hypervalent helium

Subject Keywords

KeywordValue
inchi InChI=1S/C5H4.He/c1-2-4-3(1)5(2)4;/h1-4H;/t2-,3+,4-;
inchi InChI=1S/C5H4He/c6-5-1-2(5)4(5)3(1)5/h1-4H/t1-,2+,3-,4+
inchi InChI=1S/C5H4.He/c1-2-4-3(1)5(2)4;/h1-4H;/t2-,3+,4-;
inchikey FAXCVXCAHKWKCD-YLYUELNPSA-N
inchikey YHXKXJXWLNTGQF-GNSDDBTRSA-N
inchikey FAXCVXCAHKWKCD-YLYUELNPSA-N

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