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Compare Calculated Bonds for O-H

17 01 10 14 40

CISD/6-311G**

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


Values greater than 0.97 are in the 0.97 bin. Values less than 0.94 are in the 0.94 bin.

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0.94 0.95 0.95 0.95 0.95 0.95 0.96 0.96 0.96 0.96 0.96 0.97 0.97
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
0.955 0.007

  Species Name Bond Length (Å)
Lowest value CaOH Calcium monohydroxide 0.944
Highest value OH Hydroxyl radical 0.967

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH Hydroxyl radical 0.967 1 2
H2O Water 0.954 1 2
    0.954 1 3
CaOH Calcium monohydroxide 0.944 2 3
C3H4O allenol 0.952 4 8
CH3CH(NH2)COOH Alanine 0.960 5 13
NH2CH2CH2COOH β–alanine 0.965 5 13
CH3NHCH2COOH Sarcosine 0.959 5 13
C5H12O 3-Pentanol 0.947 6 18
C6H5COOH benzoic acid 0.952 9 15