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 H-Be

17 01 10 14 40

CCD/aug-cc-pVDZ

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


Values greater than 1.44 are in the 1.44 bin. Values less than 1.32 are in the 1.32 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 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 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 histogram chart line line line line line line line
histogram chart 0 line line line line histogram chart line 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 histogram chart line line histogram chart line line line line
1.32 1.33 1.34 1.35 1.36 1.37 1.38 1.39 1.40 1.41 1.42 1.43 1.44
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.376 0.042

  Species Name Bond Length (Å)
Lowest value BeH+ beryllium monohydride cation 1.330
Highest value BeH- berylium monohydride anion 1.434

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
BeH- berylium monohydride anion 1.434 1 2
BeH beryllium monohydride 1.356 1 2
BeH+ beryllium monohydride cation 1.330 1 2
BeH2 beryllium dihydride 1.339 1 2
    1.339 1 3
BeH2+ Beryllium dihydride cation 1.418 1 2
    1.418 1 3