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Compare Calculated Bonds for H-O

17 01 10 14 40

LSDA/6-311+G(3df,2p)

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


Values greater than 2.10 are in the 2.10 bin. Values less than 0.90 are in the 0.90 bin.

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0.90 1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.172 0.387

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.958
Highest value H2COO+ dioxymethyl cation 2.038

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH Hydroxyl radical 0.984 1 2
H2O Water 0.969 1 2
    0.969 1 3
LiOH lithium hydroxide 0.958 1 3
KOH Potassium hydroxide 0.964 2 3
CH2OH+ hydroxymethyl cation 0.994 2 5
NH2OH hydroxylamine 0.971 2 3
H5O2+ Dihydroxonium ion 1.196 1 2
    1.196 1 3
    0.976 2 4
    0.977 2 5
    0.976 3 6
    0.977 3 7
HCOOH Formic acid 0.982 2 5
Be(OH)2 Beryllium hydroxide 0.960 2 4
    0.960 3 5
H2COO Dioxymethyl radical 2.024 1 3
    1.980 1 4
H2COO+ dioxymethyl cation 2.038 1 3
    1.969 1 4
HOCHNH hydroxymethylimine 0.971 2 5
CH2COH+ ketene, protonated 0.997 3 6
C3H6O Acetone enol 0.973 4 10