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Compare Calculated Bonds for H-H

17 01 10 14 40

CCSD/6-31+G**

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


Values greater than 2.80 are in the 2.80 bin. Values less than 0.60 are in the 0.60 bin.

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0.60 0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.163 0.551

  Species Name Bond Length (Å)
Lowest value D2 Deuterium diatomic 0.738
Highest value NH3NH3 Ammonia Dimer 2.470

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2 Hydrogen diatomic 0.738 1 2
D2 Deuterium diatomic 0.738 1 2
NH3NH3 Ammonia Dimer 2.470 1 3
    1.015 3 7
    1.015 3 8
C6H6 Dewar Benzene 1.082 7 11
    1.082 8 12