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Compare Calculated Bonds for H-O

17 01 10 14 40

CCSD(T)/TZVP

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


Values greater than 3.20 are in the 3.20 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 3.00 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.046 0.315

  Species Name Bond Length (Å)
Lowest value Mg(OH)2 Magnesium dihydroxide 0.948
Highest value H2SO4 Sulfuric acid 2.815

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.970 1 2
OH Hydroxyl radical 0.975 1 2
H2O- water anion 1.007 1 2
    1.007 1 3
H2O Water 0.962 1 2
    0.962 1 3
H2O+ water cation 1.003 1 2
    1.003 1 3
H3O+ hydronium cation 0.980 1 2
    0.980 1 3
    0.980 1 4
LiOH lithium hydroxide 0.951 1 3
HO2 Hydroperoxy radical 0.975 1 3
HO2+ Hydroperoxy cation 1.012 1 3
BeOH beryllium monohydroxide 0.952 1 3
NOH Hydroxyimidogen 0.972 2 3
NOH+ O-protonated nitric oxide 1.019 2 3
COH+ Carbon Monoxide, protonated 0.995 2 3
SOH+ Sulfur Monoxide, protonated 0.984 2 3
KOH Potassium hydroxide 0.951 2 3
HOF Hypofluorous acid 0.971 1 2
HOCl hypochlorous acid 0.968 1 2
HOCl+ hypochlorous acid cation 0.991 1 2
HOBr Hypobromous acid 0.968 1 2
HOBr+ Hypobromous acid cation 0.987 1 2
H2O2 Hydrogen peroxide 0.967 1 3
    0.967 2 4
H2O2+ Hydrogen peroxide cation 0.996 1 3
    0.996 2 4
HOCH hydroxycarbene 0.969 2 4
H2OO water oxide 0.969 1 3
    0.969 1 4
CH2OH Hydroxymethyl radical 0.963 2 5
CH2OH+ hydroxymethyl cation 0.984 2 5
NH2OH hydroxylamine 0.963 2 3
NH2OH+ Hydroxylamine cation 0.982 2 3
H2POH Phosphinous acid 0.962 2 3
CH3OH- Methyl alcohol anion 1.048 2 6
CH3OH Methyl alcohol 0.962 2 6
CH3OH+ Methyl alcohol cation 0.990 2 6
NH3OH+ N-protonated hydroxylamine 0.974 2 3
NH2OH2+ protonated hydroxylamine 0.978 2 5
    0.980 2 6
SiH3OH silanol 0.961 2 6
CH3OH2+ Methanol, protonated 0.976 2 6
    0.976 2 7
H5O2+ Dihydroxonium ion 1.195 1 2
    1.195 1 3
    0.968 2 4
    0.969 2 5
    0.968 3 6
    0.969 3 7
O3H+ protonated ozone 1.894 2 4
NNOH+ Nitrous Oxide, O-protonated 0.989 3 4
SO2H+ protonated sulfur dioxide 0.986 2 4
HCOOH Formic acid 0.971 2 5
Be(OH)2 Beryllium hydroxide 0.953 2 4
    0.953 3 5
H2O3 Hydrogen trioxide 0.971 2 4
    0.971 3 5
H2COO Dioxymethyl radical 2.042 1 3
    1.992 1 4
Mg(OH)2 Magnesium dihydroxide 0.948 2 4
    0.948 3 5
CH2NOH formaldoxime 0.964 3 6
HOCHNH hydroxymethylimine 0.970 2 5
CH2COH+ ketene, protonated 0.986 3 6
CH2BOH hydroxy(methylene)borane 0.965 3 6
CH2FOH fluoromethanol 0.964 3 6
CH2(OH)2 methanediol 0.965 2 6
    0.965 3 7
H2CONH2+ protonated formamide 0.974 2 7
NH2CHOH+ Formamide, O-protonated 0.974 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.963 3 8
CH3CHOH+ acetaldehyde, protonated 0.980 3 8
HNO3 Nitric acid 0.973 2 5
HClO3 Chloric Acid 2.587 2 5
H2NO3+ Nitric Acid, Protonated 0.985 3 5
    0.985 4 6
H2SO3 Sulfurous acid 0.973 3 5
    0.973 4 6
HOCH2CN cyanomethanol 0.964 3 6
NH2COOH Carbamic acid 0.967 4 7
H3CO3+ carbonic acid, protonated 0.977 2 5
    0.977 3 6
    0.977 4 7
H3AlO3 Aluminum hydroxide 0.958 2 5
    0.958 3 6
    0.958 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 0.964 4 5
CH3C(OH)=NH Ethaninidic acid 0.969 4 9
H2NCOHNH2+ urea, protonated 0.969 2 5
CH2FCH2OH 2-fluoroethanol 0.965 3 9
C3H6O 2-Propen-1-ol 0.963 4 10
C3H6O Acetone enol 0.965 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.976 4 9
    0.976 4 10
HOCH2CH2NH2 monoethanolamine 0.968 4 11
HOONO2 peroxy nitric acid 0.972 3 6
HSO4- bisulfate anion 0.966 2 6
CF3OH trifluoromethanol 0.966 2 6
HClO4 perchloric acid 0.975 3 6
H2SO4 Sulfuric acid 2.815 4 7
    2.815 5 6
H2SeO4 Selenic acid 0.971 4 6
    0.971 5 7
H3PO4 Phosphoric Acid 0.966 3 6
    0.966 4 7
    0.966 5 8
HOCHCCHOH allenediol 0.966 4 8
    0.966 5 9
CH3CH2COOH Propanoic Acid 0.970 4 11
C4H10O 1-Butanol 0.963 5 15
C2H2O4 Oxalic Acid 0.974 3 7
    0.974 4 8
CF3COOH trifluoroacetic acid 0.970 3 8
C4H6O2 Crotonic Acid 0.969 5 12