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Compare Calculated Bonds for O-H

17 01 10 14 40

MP4=FULL/aug-cc-pVDZ

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


Values greater than 3.00 are in the 3.00 bin. Values less than 0.80 are in the 0.80 bin.

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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 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 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 line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line line line line line line
0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.055 0.285

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.957
Highest value HClO3 Chloric Acid 2.678

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.977 1 2
OH Hydroxyl radical 0.978 1 2
OH+ hydoxyl cation 1.034 1 2
H2O- water anion 0.977 1 2
    0.977 1 3
H2O Water 0.966 1 2
    0.966 1 3
H2O+ water cation 1.005 1 2
    1.005 1 3
H3O+ hydronium cation 0.983 1 2
    0.983 1 3
    0.983 1 4
LiOH lithium hydroxide 0.957 1 3
HO2 Hydroperoxy radical 0.979 1 3
HO2+ Hydroperoxy cation 1.019 1 3
BeOH beryllium monohydroxide 0.958 1 3
NOH Hydroxyimidogen 0.976 2 3
NOH+ O-protonated nitric oxide 1.019 2 3
COH+ Carbon Monoxide, protonated 0.999 2 3
SOH+ Sulfur Monoxide, protonated 0.990 2 3
HOCl hypochlorous acid 0.974 1 2
HOCl+ hypochlorous acid cation 0.983 1 2
HOBr Hypobromous acid 0.974 1 2
HOBr+ Hypobromous acid cation 0.994 1 2
H2O2 Hydrogen peroxide 0.972 1 3
    0.972 2 4
H2O2+ Hydrogen peroxide cation 0.999 1 3
    0.999 2 4
HOCH hydroxycarbene 0.973 2 4
H2OO water oxide 0.974 1 3
    0.974 1 4
HOSH hydrogen thioperoxide 0.971 2 4
CH2OH Hydroxymethyl radical 0.967 2 5
CH2OH+ hydroxymethyl cation 0.986 2 5
NH2OH hydroxylamine 0.967 2 3
NH2OH+ Hydroxylamine cation 0.985 2 3
H2POH Phosphinous acid 0.968 2 3
CH3OH- Methyl alcohol anion 0.972 2 6
CH3OH Methyl alcohol 0.966 2 6
CH3OH+ Methyl alcohol cation 0.993 2 6
NH3OH+ N-protonated hydroxylamine 0.978 2 3
H2OH2O water dimer 0.973 1 2
    1.954 1 3
    0.966 2 4
    0.967 3 5
    0.967 3 6
NH2OH2+ protonated hydroxylamine 0.982 2 5
    0.983 2 6
SiH3OH silanol 0.966 2 6
H5O2+ Dihydroxonium ion 1.202 1 2
    1.202 1 3
    0.972 2 4
    0.972 2 5
    0.972 3 6
    0.972 3 7
O3H+ protonated ozone 1.830 2 4
NNOH+ Nitrous Oxide, O-protonated 0.995 3 4
SO2H+ protonated sulfur dioxide 0.993 2 4
HCOOH Formic acid 0.975 2 5
Be(OH)2 Beryllium hydroxide 0.958 2 4
    0.958 3 5
H2O3 Hydrogen trioxide 0.975 2 4
    0.975 3 5
H2COO Dioxymethyl radical 2.069 1 3
    2.018 1 4
H2COO+ dioxymethyl cation 2.064 1 3
    1.978 1 4
CH2NOH formaldoxime 0.968 3 6
HOCHNH hydroxymethylimine 0.974 2 5
CH2COH+ ketene, protonated 0.990 3 6
CH2BOH hydroxy(methylene)borane 0.969 3 6
CH2FOH fluoromethanol 0.968 3 6
CH2(OH)2 methanediol 0.969 2 6
    0.969 3 7
H2CONH2+ protonated formamide 0.978 2 7
NH2CHOH+ Formamide, O-protonated 0.978 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.967 3 8
CH3CHOH+ acetaldehyde, protonated 0.983 3 8
HClO3 Chloric Acid 2.678 2 5
H2SO3 Sulfurous acid 0.979 3 5
    0.979 4 6
HOCH2CN cyanomethanol 0.968 3 6
NH2COOH Carbamic acid 0.971 4 7
H3AlO3 Aluminum hydroxide 0.964 2 5
    0.964 3 6
    0.964 4 7
NH3COOH+ protonated Carbamic acid 0.979 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.975 2 8
    0.977 4 7
CH3CHNOH Acetaldoxime 0.968 4 5
CH3C(OH)=NH Ethaninidic acid 0.973 4 9
H2NCOHNH2+ urea, protonated 0.972 2 5
CH2FCH2OH 2-fluoroethanol 0.969 3 9
CH2ClCH2OH 2-Chloroethanol 0.967 4 9
C3H6O 2-Propen-1-ol 0.967 4 10
C3H5OH Cyclopropanol 0.968 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.979 4 9
    0.979 4 10
HOCH2CH2NH2 monoethanolamine 0.973 4 11
HOONO2 peroxy nitric acid 0.975 3 6
HSO4- bisulfate anion 0.973 2 6
CF3OH trifluoromethanol 0.970 2 6
C3H2O2 Propiolic acid 0.975 4 7
CH3CH2COOH Propanoic Acid 0.974 4 11
C4H10O 1-Butanol 0.967 5 15