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Compare Calculated Bonds for H-O

17 01 10 14 40

M06-2X/TZVP

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 160 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 140 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 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
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
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
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
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
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line line 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.018 0.220

  Species Name Bond Length (Å)
Lowest value Mg(OH)2 Magnesium dihydroxide 0.947
Highest value HClO3 Chloric Acid 2.500

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.966 1 2
OH Hydroxyl radical 0.973 1 2
OH+ hydoxyl cation 1.031 1 2
H2O- water anion 1.007 1 2
    1.007 1 3
H2O Water 0.960 1 2
    0.960 1 3
H2O+ water cation 1.004 1 2
    1.004 1 3
HDO Water-d1 0.960 1 2
    0.960 1 3
H3O+ hydronium cation 0.980 1 2
    0.980 1 3
    0.980 1 4
LiOH lithium hydroxide 0.950 1 3
HO2 Hydroperoxy radical 0.974 1 3
HO2+ Hydroperoxy cation 1.017 1 3
BeOH beryllium monohydroxide 0.948 1 3
NOH Hydroxyimidogen 0.972 2 3
NOH+ O-protonated nitric oxide 1.024 2 3
COH+ Carbon Monoxide, protonated 0.999 2 3
SOH+ Sulfur Monoxide, protonated 0.985 2 3
KOH Potassium hydroxide 0.954 2 3
HOF Hypofluorous acid 0.970 1 2
HOCl hypochlorous acid 0.966 1 2
HOCl+ hypochlorous acid cation 0.993 1 2
HOBr Hypobromous acid 0.966 1 2
HOBr+ Hypobromous acid cation 0.985 1 2
H2O2 Hydrogen peroxide 0.965 1 3
    0.965 2 4
H2O2+ Hydrogen peroxide cation 0.996 1 3
    0.996 2 4
HOCH hydroxycarbene 0.968 2 4
H2OO water oxide 0.968 1 3
    0.968 1 4
HOSH hydrogen thioperoxide 0.963 2 4
CH2OH Hydroxymethyl radical 0.961 2 5
CH2OH+ hydroxymethyl cation 0.983 2 5
NH2OH hydroxylamine 0.961 2 3
NH2OH+ Hydroxylamine cation 0.982 2 3
H2POH Phosphinous acid 0.960 2 3
CH3OH- Methyl alcohol anion 1.029 2 6
CH3OH Methyl alcohol 0.960 2 6
CH3OH+ Methyl alcohol cation 0.986 2 6
NH3OH+ N-protonated hydroxylamine 0.973 2 3
H2OH2O water dimer 0.967 1 2
    1.960 1 3
    0.960 2 4
    0.963 3 5
    0.963 3 6
NH2OH2+ protonated hydroxylamine 0.978 2 5
    0.980 2 6
SiH3OH silanol 0.959 2 6
CH3OH2+ Methanol, protonated 0.975 2 6
    0.975 2 7
H5O2+ Dihydroxonium ion 1.194 1 2
    1.194 1 3
    0.968 2 4
    0.968 2 5
    0.968 3 6
    0.968 3 7
HOCO Hydrocarboxyl radical 0.965 2 4
O3H+ protonated ozone 0.992 2 4
NNOH+ Nitrous Oxide, O-protonated 0.992 3 4
SO2H+ protonated sulfur dioxide 0.987 2 4
HCOOH Formic acid 0.969 2 5
Be(OH)2 Beryllium hydroxide 0.951 2 4
    0.951 3 5
H2O3 Hydrogen trioxide 0.969 2 4
    0.969 3 5
H2COO Dioxymethyl radical 2.004 1 3
    1.970 1 4
H2COO+ dioxymethyl cation 2.035 1 3
    1.956 1 4
Mg(OH)2 Magnesium dihydroxide 0.947 2 4
    0.947 3 5
CH2NOH formaldoxime 0.962 3 6
HOCHNH hydroxymethylimine 0.969 2 5
CH2COH+ ketene, protonated 0.987 3 6
CH2BOH hydroxy(methylene)borane 0.963 3 6
CH2FOH fluoromethanol 0.963 3 6
CH2(OH)2 methanediol 0.963 2 6
    0.963 3 7
H2CONH2+ protonated formamide 0.973 2 7
NH2CHOH+ Formamide, O-protonated 0.973 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.961 3 8
CH3CHOH+ acetaldehyde, protonated 0.978 3 8
NH2CH2OH aminomethanol 0.962 3 8
CH2CH2OH 2-hydroxy ethyl radical 0.960 1 4
CH3CH2OH Ethanol 0.961 3 4
HNO3 Nitric acid 0.971 2 5
HClO3 Chloric Acid 2.500 2 5
H2NO3+ Nitric Acid, Protonated 0.985 3 5
    0.985 4 6
H2SO3 Sulfurous acid 0.972 3 5
    0.972 4 6
HOCH2CN cyanomethanol 0.963 3 6
NH2COOH Carbamic acid 0.965 4 7
H3CO3+ carbonic acid, protonated 0.977 2 5
    0.977 3 6
    0.977 4 7
H3AlO3 Aluminum hydroxide 0.956 2 5
    0.956 3 6
    0.956 4 7
NH3COOH+ protonated Carbamic acid 0.975 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.970 2 8
    0.974 4 7
CH3CHNOH Acetaldoxime 0.961 4 5
CH3C(OH)=NH Ethaninidic acid 0.968 4 9
H2NCOHNH2+ urea, protonated 0.968 2 5
CH2FCH2OH 2-fluoroethanol 0.963 3 9
CH2ClCH2OH 2-Chloroethanol 0.961 4 9
C3H6O 2-Propen-1-ol 0.961 4 10
C3H5OH Cyclopropanol 0.962 4 10
C3H6O Acetone enol 0.963 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.975 4 9
    0.975 4 10
HOCH2CH2NH2 monoethanolamine 0.968 4 11
C3H7OH 1-Propanol 0.960 4 12
HOONO2 peroxy nitric acid 0.970 3 6
HSO4- bisulfate anion 0.964 2 6
CF3OH trifluoromethanol 0.965 2 6
HClO4 perchloric acid 0.974 3 6
CHOCOOH oxo acetic acid 0.972 5 7
C3H2O2 Propiolic acid 0.969 4 7
H2SeO4 Selenic acid 0.969 4 6
    0.969 5 7
H3PO4 Phosphoric Acid 0.964 3 6
    0.964 4 7
    0.964 5 8
HOCHCCHOH allenediol 0.964 4 8
    0.964 5 9
CH3CH2COOH Propanoic Acid 0.968 4 11
C4H10O 1-Butanol 0.960 5 15
C2H2O4 Oxalic Acid 0.973 3 7
    0.973 4 8
CF3COOH trifluoroacetic acid 0.969 3 8
C2H4O4 Formic acid dimer 0.984 5 10
    0.984 6 9
C4H6O2 Crotonic Acid 0.967 5 12
C4H8O2 Butanoic acid 0.968 5 14
HO2CCHNH2CH2OH Serine 0.968 2 8
    0.963 6 12
C5H9NO2 Proline 0.967 8 17
C6H12O6 Inositol 0.964 7 19
    0.964 8 20
    0.964 9 21
    0.964 10 22
    0.964 11 23
    0.964 12 24