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Compare Calculated Bonds for H-O

17 01 10 14 40

HF/6-31+G**

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.

histogram chart 180 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 line line line
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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 line line line
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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 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 line line line
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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
1.011 0.251

  Species Name Bond Length (Å)
Lowest value Mg(OH)2 Magnesium dihydroxide 0.933
Highest value HClO3 Chloric Acid 2.422

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.947 1 2
OH Hydroxyl radical 0.955 1 2
OH+ hydoxyl cation 1.011 1 2
DO Hydroxyl-d 0.955 1 2
H2O- water anion 0.949 1 2
    0.949 1 3
H2O Water 0.943 1 2
    0.943 1 3
H2O+ water cation 0.982 1 2
    0.982 1 3
HDO Water-d1 0.943 1 2
    0.943 1 3
H3O+ hydronium cation 0.961 1 2
    0.961 1 3
    0.961 1 4
LiOH lithium hydroxide 0.935 1 3
HO2- Hydroperoxy anion 0.941 1 3
HO2 Hydroperoxy radical 0.948 1 3
HO2+ Hydroperoxy cation 0.987 1 3
NOH Hydroxyimidogen 0.950 2 3
NOH+ O-protonated nitric oxide 0.990 2 3
COH+ Carbon Monoxide, protonated 0.975 2 3
NaOH sodium hydroxide 0.937 1 3
MgOH magnesium hydroxide 0.933 1 3
SOH+ Sulfur Monoxide, protonated 0.963 2 3
KOH Potassium hydroxide 0.939 2 3
CaOH Calcium monohydroxide 0.936 2 3
HOF Hypofluorous acid 0.949 1 2
HOCl hypochlorous acid 0.948 1 2
HOCl+ hypochlorous acid cation 0.970 1 2
HOBr+ Hypobromous acid cation 0.963 1 2
H2O2 Hydrogen peroxide 0.946 1 3
    0.946 2 4
H2O2+ Hydrogen peroxide cation 0.974 1 3
    0.974 2 4
HOCH hydroxycarbene 0.947 2 4
H2OO water oxide 0.947 1 3
    0.947 1 4
HOSH hydrogen thioperoxide 0.945 2 4
CH2OH+ hydroxymethyl cation 0.960 2 5
NH2OH hydroxylamine 0.943 2 3
NH2OH+ Hydroxylamine cation 0.959 2 3
H3O2+ hydrogen peroxide, protonated 0.961 1 3
    0.965 2 4
    0.965 2 5
H2POH Phosphinous acid 0.943 2 3
CH3OH- Methyl alcohol anion 0.951 2 6
CH3OH Methyl alcohol 0.942 2 6
CH3OH+ Methyl alcohol cation 0.973 2 6
NH3OH+ N-protonated hydroxylamine 0.954 2 3
H2OH2O water dimer 0.949 1 2
    1.967 1 3
    0.942 2 4
    0.945 3 5
    0.945 3 6
NH2OH2+ protonated hydroxylamine 0.959 2 5
    0.959 2 6
SiH3OH silanol 0.941 2 6
CH3OH2+ Methanol, protonated 0.956 2 6
    0.956 2 7
H5O2+ Dihydroxonium ion 1.182 1 2
    1.182 1 3
    0.951 2 4
    0.951 2 5
    0.951 3 6
    0.951 3 7
HOCO Hydrocarboxyl radical 0.946 2 4
HOCO+ Hydrocarboxyl cation 0.969 2 4
O3H+ protonated ozone 1.828 2 4
NNOH+ Nitrous Oxide, O-protonated 0.969 3 4
SO2H+ protonated sulfur dioxide 0.966 2 4
HOClO Chlorous acid 0.952 2 4
HCOOH Formic acid 0.949 2 5
Be(OH)2 Beryllium hydroxide 0.935 2 4
    0.935 3 5
H2O3 Hydrogen trioxide 0.949 2 4
    0.949 3 5
H2COO Dioxymethyl radical 1.974 1 3
    1.958 1 4
H2COO+ dioxymethyl cation 2.018 1 3
    1.947 1 4
Mg(OH)2 Magnesium dihydroxide 0.933 2 4
    0.933 3 5
CH2NOH formaldoxime 0.943 3 6
CH2OOH CH2OOH radical 0.947 3 6
HOCHNH hydroxymethylimine 0.948 2 5
CH2COH+ ketene, protonated 0.964 3 6
CH2BOH hydroxy(methylene)borane 0.945 3 6
CH2FOH fluoromethanol 0.944 3 6
CH2(OH)2 methanediol 0.945 2 6
    0.945 3 7
H2CONH2+ protonated formamide 0.953 2 7
NH2CHOH+ Formamide, O-protonated 0.953 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.942 3 8
CH3CHOH+ acetaldehyde, protonated 0.957 3 8
NH2CH2OH aminomethanol 0.943 3 8
CH2CH2OH 2-hydroxy ethyl radical 0.942 1 4
CH3CH2OH Ethanol 0.942 3 4
HCO3- bicarbonate anion 0.943 2 3
HNO3 Nitric acid 0.952 2 5
HSO3 Hydroxysulfonyl radical 0.953 2 5
HClO3 Chloric Acid 2.422 2 5
H2CO3 Carbonic acid 0.947 3 5
    0.947 4 6
H2NO3+ Nitric Acid, Protonated 0.964 3 5
    0.964 4 6
H2SO3 Sulfurous acid 0.952 3 5
    0.952 4 6
HOCH2CN cyanomethanol 0.944 3 6
NH2COOH Carbamic acid 0.947 4 7
H3CO3+ carbonic acid, protonated 0.957 2 5
    0.957 3 6
    0.957 4 7
H3BO3 Boric acid 0.943 2 5
    0.943 3 6
    0.943 4 7
H3AlO3 Aluminum hydroxide 0.940 2 5
    0.940 3 6
    0.940 4 7
H2OHCOOH Water formic acid dimer 1 0.945 1 2
    2.373 1 3
    0.943 2 4
    0.949 3 5
H2OHCOOH Water formic acid dimer 2 0.947 1 2
    0.942 2 4
    0.950 6 8
NH3COOH+ protonated Carbamic acid 0.955 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.951 2 8
    0.954 4 7
CH3C(OH)=NH Ethaninidic acid 0.948 4 9
H2NCOHNH2+ urea, protonated 0.949 2 5
CH2FCH2OH 2-fluoroethanol 0.944 3 9
CH2ClCH2OH 2-Chloroethanol 0.943 4 9
C3H6O 2-Propen-1-ol 0.943 4 10
C3H5OH Cyclopropanol 0.943 4 10
C3H6O Acetone enol 0.944 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.956 4 9
    0.956 4 10
HOCH2CH2NH2 monoethanolamine 0.946 4 11
H2OCH3OCH3 water dimethylether dimer 0.949 1 2
    2.003 1 3
    0.942 2 6
HOONO2 peroxy nitric acid 0.950 3 6
HSO4- bisulfate anion 0.945 2 6
CF3OH trifluoromethanol 0.946 2 6
HClO4 perchloric acid 0.955 3 6
CHOCOOH oxo acetic acid 0.950 5 7
C3H2O2 Propiolic acid 0.949 4 7
H2SeO4 Selenic acid 0.952 4 6
    0.952 5 7
H3PO4 Phosphoric Acid 0.946 3 6
    0.946 4 7
    0.946 5 8
HOCH2COOH Hydroxyacetic acid 0.949 3 9
    0.947 5 8
C3H4O2 propenalol 0.956 5 6
HOCHCCHOH allenediol 0.945 4 8
    0.945 5 9
CH3CH2COOH Propanoic Acid 0.948 4 11
C4H10O 1-Butanol 0.942 5 15
C2H2O4 Oxalic Acid 0.951 3 7
    0.951 4 8
CF3COOH trifluoroacetic acid 0.949 3 8
C2H3NO3 Oxamic acid 0.952 5 9
C2H4O4 Formic acid dimer 0.962 5 10
    0.962 6 9
C4H6O2 Crotonic Acid 0.948 5 12
C4H6OS 4,5-dihydrothiophene-3-ol 0.943 6 12
C4H6OS 2,5-dihydrothiophene-3-ol 0.944 6 12
C4H6OS 4,5-dihydrothiophene-2-ol 0.945 6 12
C4H6OS 2,3-dihydrothiophene-2-ol 0.943 6 12
HCONH2CN2H4 formamide aminomethanimine dimer 2.048 5 8
NH2CH2CH2COOH β–alanine 0.956 5 13
CH3NHCH2COOH Sarcosine 0.952 5 13
C4H8O2 Butanoic acid 0.948 5 14
C5H12O 1-Pentanol 0.942 1 2
C5H12O 3-Pentanol 0.942 6 18
C6H5OH phenol 0.943 7 8
HO2CCHNH2CH2OH Serine 0.949 2 8
    0.945 6 12
C5H9NO2 Proline 0.949 8 17
C6H12O2 Hexanoic acid 0.948 7 20
C6H5COOH benzoic acid 0.948 9 15
C6H12O6 Inositol 0.944 7 19
    0.944 8 20
    0.944 9 21
    0.944 10 22
    0.944 11 23
    0.944 12 24