return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for Ga-Cl

17 01 10 14 40

SVWN/aug-cc-pVTZ

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


Values greater than 2.19 are in the 2.19 bin. Values less than 2.07 are in the 2.07 bin.

histogram chart 5 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 3 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 2 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 1 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line histogram chart line
2.07 2.08 2.09 2.10 2.11 2.12 2.13 2.14 2.15 2.16 2.17 2.18 2.19
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.110 0.042

  Species Name Bond Length (Å)
Lowest value GaCl+ Gallium monochloride cation 2.075
Highest value GaCl Gallium monochloride 2.192

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
GaCl Gallium monochloride 2.192 1 2
GaCl+ Gallium monochloride cation 2.075 1 2
GaCl3 Gallium trichloride 2.094 1 2
    2.094 1 3
    2.094 1 4