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 Br-Br

17 01 10 14 40

TPSSh/cc-pVTZ

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


Values greater than 3.10 are in the 3.10 bin. Values less than 2.20 are in the 2.20 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
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
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
histogram chart 2 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 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 histogram chart line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
2.20 2.30 2.40 2.50 2.60 2.70 2.80 2.90 3.00 3.10
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.477 0.318

  Species Name Bond Length (Å)
Lowest value Br2+ bromine diatomic cation 2.207
Highest value Br2- bromine diatomic anion 2.924

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
Br2- bromine diatomic anion 2.924 1 2
Br2 Bromine diatomic 2.300 1 2
Br2+ bromine diatomic cation 2.207 1 2