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Compare Calculated Bonds for H-O

17 01 10 14 40

wB97X-D/CEP-121G*

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


Values greater than 2.80 are in the 2.80 bin. Values less than 0.80 are in the 0.80 bin.

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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
1.052 0.280

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.953
Highest value HClO3 Chloric Acid 2.555

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.979 1 2
OH Hydroxyl radical 0.978 1 2
OH+ hydoxyl cation 1.030 1 2
H2O- water anion 1.017 1 2
    1.017 1 3
H2O Water 0.964 1 2
    0.964 1 3
H2O+ water cation 1.002 1 2
    1.002 1 3
HDO Water-d1 0.964 1 2
    0.964 1 3
H3O+ hydronium cation 0.980 1 2
    0.980 1 3
    0.980 1 4
LiOH lithium hydroxide 0.953 1 3
HO2+ Hydroperoxy cation 1.012 1 3
BeOH beryllium monohydroxide 0.957 1 3
NOH Hydroxyimidogen 0.974 2 3
NOH+ O-protonated nitric oxide 1.017 2 3
COH+ Carbon Monoxide, protonated 0.994 2 3
SOH+ Sulfur Monoxide, protonated 0.985 2 3
HOF Hypofluorous acid 0.973 1 2
HOCl hypochlorous acid 0.970 1 2
HOCl+ hypochlorous acid cation 0.992 1 2
H2O2 Hydrogen peroxide 0.969 1 3
    0.969 2 4
H2OO water oxide 0.970 1 3
    0.970 1 4
HOSH hydrogen thioperoxide 0.967 2 4
CH2OH+ hydroxymethyl cation 0.982 2 5
NH2OH hydroxylamine 0.965 2 3
NH2OH+ Hydroxylamine cation 0.981 2 3
CH3OH+ Methyl alcohol cation 0.987 2 6
NH3OH+ N-protonated hydroxylamine 0.975 2 3
H2OH2O water dimer 0.972 1 2
    1.957 1 3
    0.964 2 4
    0.967 3 5
    0.967 3 6
NH2OH2+ protonated hydroxylamine 0.978 2 5
    0.980 2 6
SiH3OH silanol 0.962 2 6
H5O2+ Dihydroxonium ion 1.202 1 2
    1.202 1 3
    0.970 2 4
    0.970 2 5
    0.970 3 6
    0.970 3 7
HOCO Hydrocarboxyl radical 0.967 2 4
O3H+ protonated ozone 0.993 2 4
NNOH+ Nitrous Oxide, O-protonated 0.990 3 4
SO2H+ protonated sulfur dioxide 0.986 2 4
HCOOH Formic acid 0.972 2 5
Be(OH)2 Beryllium hydroxide 0.958 2 4
    0.958 3 5
H2COO Dioxymethyl radical 2.024 1 3
    1.988 1 4
H2COO+ dioxymethyl cation 2.053 1 3
    1.969 1 4
CH2NOH formaldoxime 0.966 3 6
HOCHNH hydroxymethylimine 0.964 2 5
CH2COH+ ketene, protonated 0.985 3 6
CH2BOH hydroxy(methylene)borane 0.965 3 6
CH2FOH fluoromethanol 0.966 3 6
NH2CHOH+ Formamide, O-protonated 0.974 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.964 3 8
CH3CHOH+ acetaldehyde, protonated 0.978 3 8
NH2CH2OH aminomethanol 0.966 3 8
CH3CH2OH Ethanol 0.965 3 4
HNO3 Nitric acid 0.974 2 5
HClO3 Chloric Acid 2.555 2 5
HOCH2CN cyanomethanol 0.966 3 6
H3AlO3 Aluminum hydroxide 0.960 2 5
    0.960 3 6
    0.960 4 7
NH3COOH+ protonated Carbamic acid 0.975 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.971 2 8
    0.974 4 7
CH3CHNOH Acetaldoxime 0.965 4 5
CH3C(OH)=NH Ethaninidic acid 0.970 4 9
H2NCOHNH2+ urea, protonated 0.968 2 5
CH2FCH2OH 2-fluoroethanol 0.966 3 9
CH2ClCH2OH 2-Chloroethanol 0.965 4 9
C3H5OH Cyclopropanol 0.966 4 10
C3H6O Acetone enol 0.966 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.975 4 9
    0.975 4 10
C3H7OH 1-Propanol 0.964 4 12
C2H2O4 Oxalic Acid 0.976 3 7
    0.976 4 8
C2H4O4 Formic acid dimer 0.998 5 10
    0.998 6 9
C4H8O2 Butanoic acid 0.971 5 14