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Compare Calculated Bonds for H-O

17 01 10 14 40

CCSD(T)/aug-cc-pVQZ

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
1.005 0.169

  Species Name Bond Length (Å)
Lowest value Mg(OH)2 Magnesium dihydroxide 0.946
Highest value H2OH2O water dimer 1.952

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.965 1 2
OH Hydroxyl radical 0.971 1 2
H2O- water anion 0.966 1 2
    0.966 1 3
H2O Water 0.959 1 2
    0.959 1 3
H2O+ water cation 1.000 1 2
    1.000 1 3
H3O+ hydronium cation 0.977 1 2
    0.977 1 3
    0.977 1 4
LiOH lithium hydroxide 0.949 1 3
HO2 Hydroperoxy radical 0.972 1 3
HO2+ Hydroperoxy cation 1.011 1 3
BeOH beryllium monohydroxide 0.950 1 3
NOH Hydroxyimidogen 0.969 2 3
NOH+ O-protonated nitric oxide 1.016 2 3
COH+ Carbon Monoxide, protonated 0.990 2 3
SOH+ Sulfur Monoxide, protonated 0.982 2 3
HOF Hypofluorous acid 0.968 1 2
HOCl hypochlorous acid 0.965 1 2
HOCl+ hypochlorous acid cation 0.988 1 2
HOBr Hypobromous acid 0.965 1 2
H2O2 Hydrogen peroxide 0.964 1 3
    0.964 2 4
H2O2+ Hydrogen peroxide cation 0.992 1 3
    0.992 2 4
HOCH hydroxycarbene 0.965 2 4
H2OO water oxide 0.967 1 3
    0.967 1 4
CH2OH+ hydroxymethyl cation 0.979 2 5
NH2OH hydroxylamine 0.959 2 3
H2POH Phosphinous acid 0.959 2 3
NH3OH+ N-protonated hydroxylamine 0.971 2 3
H2OH2O water dimer 0.965 1 2
    1.952 1 3
    0.958 2 4
    0.960 3 5
    0.960 3 6
NH2OH2+ protonated hydroxylamine 0.975 2 5
    0.976 2 6
SiH3OH silanol 0.957 2 6
CH3OH2+ Methanol, protonated 0.972 2 6
    0.972 2 7
H5O2+ Dihydroxonium ion 1.195 1 2
    1.195 1 3
    0.965 2 4
    0.966 2 5
    0.965 3 6
    0.966 3 7
O3H+ protonated ozone 1.910 2 4
HCOOH Formic acid 0.967 2 5
Be(OH)2 Beryllium hydroxide 0.951 2 4
    0.951 3 5
Mg(OH)2 Magnesium dihydroxide 0.946 2 4
    0.946 3 5
HOCHNH hydroxymethylimine 0.967 2 5
CH2COH+ ketene, protonated 0.982 3 6
CH2BOH hydroxy(methylene)borane 0.961 3 6
CH2FOH fluoromethanol 0.960 3 6
H2CONH2+ protonated formamide 0.970 2 7
NH2CHOH+ Formamide, O-protonated 0.971 2 7
HNO3 Nitric acid 0.970 2 5
H3AlO3 Aluminum hydroxide 0.954 2 5
    0.954 3 6
    0.954 4 7