C2 (SGG) (SGU) (SGG) (SGU) (PIU) (PIU) -75.791996 + -1676.027443 = -1,751.819439 = 68.2

DOI: 10.14469/hpc/5635 Metadata

Created: 2019-05-14 06:02

Last modified: 2020-05-08 06:28

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 66KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 150KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 384 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/5610 Double, triple or quadruple? Does a room-temperature chemical synthesis of C2 resolve the nature of the bond?

Subject Keywords

KeywordValue
Gibbs_Energy -75.791996
inchi InChI=1S/C2/c1-2
inchikey LBVWYGNGGJURHQ-UHFFFAOYSA-N

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