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Compare Calculated Bonds for H-O

17 01 10 14 40

B3LYP/aug-cc-pVDZ

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
1.024 0.244

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.954
Highest value CH3CHNOH Acetaldoxime 2.816

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 0.979 1 2
OH+ hydoxyl cation 1.043 1 2
DO Hydroxyl-d 0.979 1 2
H2O- water anion 0.977 1 2
    0.977 1 3
H2O Water 0.965 1 2
    0.965 1 3
H2O+ water cation 1.009 1 2
    1.009 1 3
D2O Deuterium oxide 0.965 1 2
    0.965 1 3
HDO Water-d1 0.965 1 2
    0.965 1 3
H3O+ hydronium cation 0.983 1 2
    0.983 1 3
    0.983 1 4
LiOH lithium hydroxide 0.954 1 3
HO2- Hydroperoxy anion 0.965 1 3
HO2 Hydroperoxy radical 0.980 1 3
HO2+ Hydroperoxy cation 1.021 1 3
BeOH beryllium monohydroxide 0.956 1 3
NOH Hydroxyimidogen 0.976 2 3
NOH+ O-protonated nitric oxide 1.028 2 3
COH+ Carbon Monoxide, protonated 1.001 2 3
SOH+ Sulfur Monoxide, protonated 0.989 2 3
HOF Hypofluorous acid 0.975 1 2
HOCl hypochlorous acid 0.971 1 2
HOCl+ hypochlorous acid cation 0.997 1 2
DOCl Hypochlorous acid-d 0.971 1 2
HOBr Hypobromous acid 0.971 1 2
HOBr+ Hypobromous acid cation 0.991 1 2
H2O2 Hydrogen peroxide 0.970 1 3
    0.970 2 4
H2O2+ Hydrogen peroxide cation 0.999 1 3
    0.999 2 4
HOCH hydroxycarbene 0.972 2 4
H2OO water oxide 0.972 1 3
    0.972 1 4
HOSH hydrogen thioperoxide 0.968 2 4
CH2OH Hydroxymethyl radical 0.965 2 5
CH2OH+ hydroxymethyl cation 0.986 2 5
NH2OH hydroxylamine 0.965 2 3
NH2OH+ Hydroxylamine cation 0.985 2 3
H3O2+ hydrogen peroxide, protonated 0.985 1 3
    0.989 2 4
    0.989 2 5
H2POH Phosphinous acid 0.965 2 3
CH3OH- Methyl alcohol anion 0.972 2 6
CH3OH Methyl alcohol 0.964 2 6
CH3OH+ Methyl alcohol cation 0.988 2 6
NH3OH+ N-protonated hydroxylamine 0.977 2 3
H2OH2O water dimer 0.973 1 2
    1.968 1 3
    0.964 2 4
    0.968 3 5
    0.968 3 6
NH2OH2+ protonated hydroxylamine 0.981 2 5
    0.982 2 6
SiH3OH silanol 0.963 2 6
CH3OH2+ Methanol, protonated 0.978 2 6
    0.978 2 7
H5O2+ Dihydroxonium ion 1.202 1 2
    1.202 1 3
    0.971 2 4
    0.971 2 5
    0.971 3 6
    0.971 3 7
HOCN cyanic acid 0.970 3 4
HOCO Hydrocarboxyl radical 0.969 2 4
HOCO+ Hydrocarboxyl cation 0.991 2 4
HNO2 Nitrous acid 0.972 1 2
O3H+ protonated ozone 0.997 2 4
NNOH+ Nitrous Oxide, O-protonated 0.995 3 4
SO2H+ protonated sulfur dioxide 0.990 2 4
HOClO Chlorous acid 0.974 2 4
HCOOH Formic acid 0.973 2 5
Be(OH)2 Beryllium hydroxide 0.957 2 4
    0.957 3 5
H2O3 Hydrogen trioxide 0.973 2 4
    0.973 3 5
HCCOH ethynol 0.968 3 5
H2COO Dioxymethyl radical 2.030 1 3
    1.986 1 4
H2COO+ dioxymethyl cation 2.054 1 3
    1.970 1 4
Mg(OH)2 Magnesium dihydroxide 0.955 2 4
    0.955 3 5
CH2NOH formaldoxime 0.966 3 6
HOCHNH hydroxymethylimine 0.972 2 5
CH2COH+ ketene, protonated 0.989 3 6
CH2BOH hydroxy(methylene)borane 0.967 3 6
CH2FOH fluoromethanol 0.966 3 6
CH2(OH)2 methanediol 0.967 2 6
    0.967 3 7
CH2CHOH ethenol 0.967 3 7
H2CONH2+ protonated formamide 0.976 2 7
NH2CHOH+ Formamide, O-protonated 0.976 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.964 3 8
CH3CHOH+ acetaldehyde, protonated 0.980 3 8
NH2CH2OH aminomethanol 0.966 3 8
CH2CH2OH 2-hydroxy ethyl radical 0.964 1 4
CH3CH2OH Ethanol 0.964 3 4
HCO3- bicarbonate anion 0.967 2 3
HNO3 Nitric acid 0.975 2 5
HSO3 Hydroxysulfonyl radical 0.974 2 5
HClO3 Chloric Acid 2.616 2 5
H2CO3 Carbonic acid 0.969 3 5
    0.969 4 6
H2NO3+ Nitric Acid, Protonated 0.988 3 5
    0.988 4 6
H2SO3 Sulfurous acid 0.975 3 5
    0.975 4 6
HOCH2CN cyanomethanol 0.966 3 6
NH2COOH Carbamic acid 0.968 4 7
H3CO3+ carbonic acid, protonated 0.979 2 5
    0.979 3 6
    0.979 4 7
H3BO3 Boric acid 0.964 2 5
    0.964 3 6
    0.964 4 7
H3AlO3 Aluminum hydroxide 0.961 2 5
    0.961 3 6
    0.961 4 7
CH3COOH Acetic acid 0.971 7 8
CHOCH2OH hydroxy acetaldehyde 0.972 3 5
C3H4O allenol 0.967 4 8
NH3COOH+ protonated Carbamic acid 0.977 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.973 2 8
    0.976 4 7
CH3CHNOH Acetaldoxime 2.816 4 5
CH3C(OH)=NH Ethaninidic acid 0.971 4 9
H2NCOHNH2+ urea, protonated 0.970 2 5
CH2FCH2OH 2-fluoroethanol 0.966 3 9
CH2ClCH2OH 2-Chloroethanol 0.964 4 9
C3H6O 2-Propen-1-ol 0.964 4 10
C2H6O2 1,2-Ethanediol 0.963 3 5
    0.963 4 6
C3H5OH Cyclopropanol 0.965 4 10
C3H6O Acetone enol 0.966 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.977 4 9
    0.977 4 10
HOCH2CH2NH2 monoethanolamine 0.970 4 11
CH3CHOHCH3 Isopropyl alcohol 0.965 4 12
C3H7OH 1-Propanol 0.964 4 12
HOONO2 peroxy nitric acid 0.974 3 6
HSO4- bisulfate anion 0.968 2 6
CF3OH trifluoromethanol 0.968 2 6
HClO4 perchloric acid 0.977 3 6
CHOCOOH oxo acetic acid 0.977 5 7
C3H2O2 Propiolic acid 0.972 4 7
H2SeO4 Selenic acid 0.974 4 6
    0.974 5 7
H3PO4 Phosphoric Acid 0.968 3 6
    0.968 4 7
    0.968 5 8
HOCH2COOH Hydroxyacetic acid 0.971 3 9
    0.971 5 8
C3H4O2 propenalol 1.004 5 6
HOCHCCHOH allenediol 0.968 4 8
    0.968 5 9
H2NCH2COOH Glycine 0.971 3 6
CH3CH2COOH Propanoic Acid 0.971 4 11
C3H8O2 1,3-Propanediol 0.964 6 8
    0.968 7 9
C4H8O Cyclobutanol 0.966 5 13
C4H10O 1-Butanol 0.964 5 15
C4H10O 1-Propanol, 2-methyl- 0.964 5 15
C2H2O4 Oxalic Acid 0.978 3 7
    0.978 4 8
C2H3NO3 Oxamic acid 0.981 5 9
C2H4O4 Formic acid dimer 1.006 5 10
    1.006 6 9
C4H6O2 Crotonic Acid 0.970 5 12
CH3CH(NH2)COOH Alanine 0.986 5 13
NH2CH2CH2COOH β–alanine 0.994 5 13
CH3NHCH2COOH Sarcosine 0.985 5 13
C4H8O2 Butanoic acid 0.971 5 14
C5H12O 3-Pentanol 0.964 6 18
C6H5OH phenol 0.965 7 8
HO2CCHNH2CH2OH Serine 0.970 2 8
    0.966 6 12
C5H9NO2 Proline 0.970 8 17
C6H12O2 Hexanoic acid 0.971 7 20
C6H5COOH benzoic acid 0.970 9 15