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Compare Calculated Bonds for H-O

17 01 10 14 40

HF/aug-cc-pVQZ

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


Values greater than 2.60 are in the 2.60 bin. Values less than 0.80 are in the 0.80 bin.

histogram chart 100 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 80 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
histogram chart 60 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
histogram chart 40 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
histogram chart 20 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
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line histogram chart line line line line
0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.016 0.259

  Species Name Bond Length (Å)
Lowest value Mg(OH)2 Magnesium dihydroxide 0.928
Highest value HClO3 Chloric Acid 2.372

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.942 1 2
OH Hydroxyl radical 0.950 1 2
OH+ hydoxyl cation 1.007 1 2
H2O- water anion 0.943 1 2
    0.943 1 3
H2O Water 0.940 1 2
    0.940 1 3
H2O+ water cation 0.980 1 2
    0.980 1 3
D2O Deuterium oxide 0.940 1 2
    0.940 1 3
HDO Water-d1 0.940 1 2
    0.940 1 3
H3O+ hydronium cation 0.959 1 2
    0.959 1 3
    0.959 1 4
LiOH lithium hydroxide 0.930 1 3
HO2- Hydroperoxy anion 0.937 1 3
HO2 Hydroperoxy radical 0.946 1 3
HO2+ Hydroperoxy cation 0.984 1 3
BeOH beryllium monohydroxide 0.932 1 3
NOH Hydroxyimidogen 0.946 2 3
NOH+ O-protonated nitric oxide 0.989 2 3
COH+ Carbon Monoxide, protonated 0.972 2 3
NaOH sodium hydroxide 0.932 1 3
MgOH magnesium hydroxide 0.929 1 3
SOH+ Sulfur Monoxide, protonated 0.960 2 3
HOF Hypofluorous acid 0.945 1 2
HOCl hypochlorous acid 0.943 1 2
HOCl+ hypochlorous acid cation 0.965 1 2
DOCl Hypochlorous acid-d 0.942 1 2
HOBr Hypobromous acid 0.942 1 2
HOBr+ Hypobromous acid cation 0.958 1 2
H2O2 Hydrogen peroxide 0.941 1 3
    0.941 2 4
H2O2+ Hydrogen peroxide cation 0.970 1 3
    0.970 2 4
HOCH hydroxycarbene 0.943 2 4
H2OO water oxide 0.944 1 3
    0.944 1 4
HOSH hydrogen thioperoxide 0.940 2 4
CH2OH Hydroxymethyl radical 0.939 2 5
CH2OH+ hydroxymethyl cation 0.957 2 5
NH2OH hydroxylamine 0.938 2 3
NH2OH+ Hydroxylamine cation 0.955 2 3
H2POH Phosphinous acid 0.939 2 3
CH3OH- Methyl alcohol anion 0.940 2 6
CH3OH+ Methyl alcohol cation 0.969 2 6
NH3OH+ N-protonated hydroxylamine 0.950 2 3
H2OH2O water dimer 0.947 1 2
    1.971 1 3
    0.939 2 4
    0.942 3 5
    0.942 3 6
NH2OH2+ protonated hydroxylamine 0.955 2 5
    0.956 2 6
SiH3OH silanol 0.937 2 6
H2ONH3 Water Ammonia Dimer 0.947 1 2
    0.939 2 4
CH3OH2+ Methanol, protonated 0.953 2 6
    0.953 2 7
H5O2+ Dihydroxonium ion 1.184 1 2
    1.184 1 3
    0.947 2 4
    0.947 2 5
    0.947 3 6
    0.947 3 7
HOCO Hydrocarboxyl radical 0.942 2 4
HOCO+ Hydrocarboxyl cation 0.967 2 4
O3H+ protonated ozone 0.963 2 4
HOClO Chlorous acid 0.946 2 4
HCOOH Formic acid 0.946 2 5
Be(OH)2 Beryllium hydroxide 0.933 2 4
    0.933 3 5
H2COO Dioxymethyl radical 1.967 1 3
    1.951 1 4
H2COO+ dioxymethyl cation 2.011 1 3
    1.944 1 4
Mg(OH)2 Magnesium dihydroxide 0.928 2 4
    0.928 3 5
CH2NOH formaldoxime 0.939 3 6
HOCHNH hydroxymethylimine 0.944 2 5
CH2COH+ ketene, protonated 0.962 3 6
CH2BOH hydroxy(methylene)borane 0.942 3 6
CH2FOH fluoromethanol 0.940 3 6
H2CONH2+ protonated formamide 0.950 2 7
NH2CHOH+ Formamide, O-protonated 0.950 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.938 3 8
CH3CH2OH Ethanol 0.938 3 4
HNO3 Nitric acid 0.947 2 5
HClO3 Chloric Acid 2.372 2 5
H3BO3 Boric acid 0.939 2 5
    0.939 3 6
    0.939 4 7
H3AlO3 Aluminum hydroxide 0.935 2 5
    0.935 3 6
    0.935 4 7
CH2FCH2OH 2-fluoroethanol 0.940 3 9
C3H7OH 1-Propanol 0.938 4 12
C3H2O2 Propiolic acid 0.945 4 7
C2H4O4 Formic acid dimer 0.959 5 10
    0.959 6 9
C6H12O2 Hexanoic acid 0.944 7 20