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 S-S

17 01 10 14 40

CCSD(T)=FULL/cc-pCVDZ

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


Values greater than 2.45 are in the 2.45 bin. Values less than 1.90 are in the 1.90 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
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
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
histogram chart 2 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 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 line line line line line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
1.90 1.95 2.00 2.05 2.10 2.15 2.20 2.25 2.30 2.35 2.40 2.45
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.115 0.181

  Species Name Bond Length (Å)
Lowest value S2 Sulfur diatomic 1.933
Highest value Si3H8 trisilane 2.360

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
S2 Sulfur diatomic 1.933 1 2
H2S2 Disulfane 2.102 1 2
S3 Sulfur trimer 1.966 1 2
    1.966 1 3
Si3H8 trisilane 2.360 1 2
    2.360 1 3