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Compare Calculated Bonds for Ga-Cl

17 01 10 14 40

HF/SDD

Histogram of Bond lengths (in Å) vs number of species


Values greater than 22.00 are in the 22.00 bin. Values less than 2.00 are in the 2.00 bin.

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2.0 4.0 6.0 8.0 10.0 12.0 14.0 16.0 18.0 20.0 22.0
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
5.719 6.989

  Species Name Bond Length (Å)
Lowest value GaCl3 Gallium trichloride 2.185
Highest value GaCl+ Gallium monochloride cation 19.696

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
GaCl Gallium monochloride 2.343 1 2
GaCl+ Gallium monochloride cation 19.696 1 2
GaCl3 Gallium trichloride 2.185 1 2
    2.185 1 3
    2.185 1 4