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Compare Calculated Bonds for O-H

17 01 10 14 40

PBEPBEultrafine/6-31+G**

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.

histogram chart 140 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 line line line
histogram chart 120 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 100 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 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
histogram chart 60 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 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 histogram chart 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
1.085 0.307

  Species Name Bond Length (Å)
Lowest value BeOH beryllium monohydroxide 0.961
Highest value HClO3 Chloric Acid 2.652

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.978 1 2
OH Hydroxyl radical 0.988 1 2
OH+ hydoxyl cation 1.051 1 2
H2O- water anion 1.000 1 2
    1.000 1 3
H2O Water 0.973 1 2
    0.973 1 3
H2O+ water cation 1.017 1 2
    1.017 1 3
HDO Water-d1 0.973 1 2
    0.973 1 3
H3O+ hydronium cation 0.989 1 2
    0.989 1 3
    0.989 1 4
LiOH lithium hydroxide 0.962 1 3
HO2 Hydroperoxy radical 0.992 1 3
HO2+ Hydroperoxy cation 1.030 1 3
BeOH beryllium monohydroxide 0.961 1 3
NOH Hydroxyimidogen 0.986 2 3
NOH+ O-protonated nitric oxide 1.040 2 3
COH+ Carbon Monoxide, protonated 1.005 2 3
SOH+ Sulfur Monoxide, protonated 0.998 2 3
KOH Potassium hydroxide 0.968 2 3
HOF Hypofluorous acid 0.985 1 2
HOCl hypochlorous acid 0.982 1 2
HOCl+ hypochlorous acid cation 1.007 1 2
H2O2 Hydrogen peroxide 0.980 1 3
    0.980 2 4
H2OO water oxide 0.982 1 3
    0.982 1 4
HOSH hydrogen thioperoxide 0.978 2 4
CH2OH Hydroxymethyl radical 0.974 2 5
CH2OH+ hydroxymethyl cation 0.995 2 5
NH2OH hydroxylamine 0.975 2 3
NH2OH+ Hydroxylamine cation 0.994 2 3
CH3OH- Methyl alcohol anion 0.996 2 6
CH3OH+ Methyl alcohol cation 0.997 2 6
NH3OH+ N-protonated hydroxylamine 0.987 2 3
H2OH2O water dimer 0.982 1 2
    1.957 1 3
    0.972 2 4
    0.976 3 5
    0.976 3 6
NH2OH2+ protonated hydroxylamine 0.990 2 5
    0.992 2 6
SiH3OH silanol 0.971 2 6
H2ONH3 Water Ammonia Dimer 0.994 1 2
    0.972 2 4
H5O2+ Dihydroxonium ion 1.207 1 2
    1.207 1 3
    0.979 2 4
    0.979 2 5
    0.979 3 6
    0.979 3 7
HOCO Hydrocarboxyl radical 0.978 2 4
O3H+ protonated ozone 1.008 2 4
NNOH+ Nitrous Oxide, O-protonated 1.005 3 4
SO2H+ protonated sulfur dioxide 1.000 2 4
HCOOH Formic acid 0.984 2 5
Be(OH)2 Beryllium hydroxide 0.963 2 4
    0.963 3 5
H2COO Dioxymethyl radical 2.053 1 3
    1.999 1 4
H2COO+ dioxymethyl cation 2.067 1 3
    1.978 1 4
CH2NOH formaldoxime 0.976 3 6
HOCHNH hydroxymethylimine 0.975 2 5
CH2COH+ ketene, protonated 0.998 3 6
CH2BOH hydroxy(methylene)borane 0.975 3 6
CH2FOH fluoromethanol 0.976 3 6
H2OH2CO water formaldehyde dimer 0.982 1 2
    1.956 1 3
    0.971 2 4
NH2CHOH+ Formamide, O-protonated 0.985 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.974 3 8
CH3CHOH+ acetaldehyde, protonated 0.989 3 8
NH2CH2OH aminomethanol 0.975 3 8
H2OCH3OH water methanol dimer 0.986 1 2
    1.853 1 3
    0.972 2 4
    0.974 3 5
CH3OHH2O methanol water dimer 0.983 1 2
    1.892 1 3
    0.974 3 5
    0.974 3 6
CH3CH2OH Ethanol 0.974 3 4
HNO3 Nitric acid 0.985 2 5
HClO3 Chloric Acid 2.652 2 5
H2SO3 Sulfurous acid 0.985 3 5
    0.985 4 6
HOCH2CN cyanomethanol 0.976 3 6
NH2COOH Carbamic acid 0.978 4 7
H3AlO3 Aluminum hydroxide 0.970 2 5
    0.970 3 6
    0.970 4 7
HCOOHH2O Formic acid water dimer 1.013 1 2
    1.707 1 3
    0.973 3 7
    0.989 3 8
H2OHCOOH Water formic acid dimer 1 0.976 1 2
    2.206 1 3
    0.972 2 4
    0.983 3 5
H2OHCOOH Water formic acid dimer 2 0.982 1 2
    0.971 2 4
    0.984 6 8
NH3COOH+ protonated Carbamic acid 0.986 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.982 2 8
    0.984 4 7
CH3CHNOH Acetaldoxime 0.975 4 5
CH3C(OH)=NH Ethaninidic acid 0.982 4 9
H2NCOHNH2+ urea, protonated 0.979 2 5
CH2FCH2OH 2-fluoroethanol 0.976 3 9
CH2ClCH2OH 2-Chloroethanol 0.974 4 9
C3H6O 2-Propen-1-ol 0.974 4 10
C3H5OH Cyclopropanol 0.975 4 10
C3H6O Acetone enol 0.976 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.986 4 9
    0.986 4 10
H2OCH3OCH3 water dimethylether dimer 0.986 1 2
    1.843 1 3
    0.972 2 6
C3H7OH 1-Propanol 0.973 4 12
C2H2O4 Oxalic Acid 0.990 3 7
    0.990 4 8
C2H4O4 Formic acid dimer 1.032 5 10
    1.032 6 9
HCONH2CN2H4 formamide aminomethanimine dimer 1.836 5 8
C4H8O2 Butanoic acid 0.982 5 14
C5H9NO2 Proline 0.978 8 17
C6H12O6 Inositol 0.976 7 19
    0.976 8 20
    0.976 9 21
    0.976 10 22
    0.976 11 23
    0.976 12 24