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Compare Calculated Bonds for O-H

17 01 10 14 40

CCD/cc-pVTZ

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 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.016 0.224

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.946
Highest value HClO3 Chloric Acid 2.461

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.963 1 2
OH Hydroxyl radical 0.968 1 2
OH+ hydoxyl cation 1.026 1 2
DO Hydroxyl-d 0.968 1 2
H2O- water anion 1.002 1 2
    1.002 1 3
H2O Water 0.956 1 2
    0.956 1 3
H2O+ water cation 0.998 1 2
    0.998 1 3
D2O Deuterium oxide 0.956 1 2
    0.956 1 3
HDO Water-d1 0.956 1 2
    0.956 1 3
H3O+ hydronium cation 0.975 1 2
    0.975 1 3
    0.975 1 4
LiOH lithium hydroxide 0.946 1 3
HO2- Hydroperoxy anion 0.954 1 3
HO2 Hydroperoxy radical 0.966 1 3
HO2+ Hydroperoxy cation 1.008 1 3
BeOH beryllium monohydroxide 0.948 1 3
NOH Hydroxyimidogen 0.965 2 3
NOH+ O-protonated nitric oxide 1.011 2 3
COH+ Carbon Monoxide, protonated 0.987 2 3
SOH+ Sulfur Monoxide, protonated 0.978 2 3
HOF Hypofluorous acid 0.963 1 2
HOCl hypochlorous acid 0.961 1 2
HOCl+ hypochlorous acid cation 0.985 1 2
HOBr Hypobromous acid 0.961 1 2
HOBr+ Hypobromous acid cation 0.980 1 2
H2O2 Hydrogen peroxide 0.960 1 3
    0.960 2 4
H2O2+ Hydrogen peroxide cation 0.989 1 3
    0.989 2 4
HOCH hydroxycarbene 0.962 2 4
H2OO water oxide 0.963 1 3
    0.963 1 4
HOSH hydrogen thioperoxide 0.958 2 4
CH2OH Hydroxymethyl radical 0.956 2 5
CH2OH+ hydroxymethyl cation 0.977 2 5
NH2OH hydroxylamine 0.956 2 3
NH2OH+ Hydroxylamine cation 0.975 2 3
H3O2+ hydrogen peroxide, protonated 0.975 1 3
    0.981 2 4
    0.981 2 5
H2POH Phosphinous acid 0.957 2 3
CH3OH- Methyl alcohol anion 1.014 2 6
CH3OH Methyl alcohol 0.956 2 6
CH3OH+ Methyl alcohol cation 0.986 2 6
NH3OH+ N-protonated hydroxylamine 0.968 2 3
H2OH2O water dimer 0.961 1 2
    1.972 1 3
    0.956 2 4
    0.959 3 5
    0.959 3 6
NH2OH2+ protonated hydroxylamine 0.973 2 5
    0.974 2 6
SiH3OH silanol 0.954 2 6
CH3OH2+ Methanol, protonated 0.971 2 6
    0.971 2 7
H5O2+ Dihydroxonium ion 1.191 1 2
    1.191 1 3
    0.963 2 4
    0.964 2 5
    0.963 3 6
    0.964 3 7
HOCN cyanic acid 0.962 3 4
HOCO Hydrocarboxyl radical 0.960 2 4
HOCO+ Hydrocarboxyl cation 0.981 2 4
HNO2 Nitrous acid 0.962 1 2
O3H+ protonated ozone 1.826 2 4
NNOH+ Nitrous Oxide, O-protonated 0.984 3 4
SO2H+ protonated sulfur dioxide 0.980 2 4
HOClO Chlorous acid 0.964 2 4
HCOOH Formic acid 0.964 2 5
Be(OH)2 Beryllium hydroxide 0.950 2 4
    0.950 3 5
H2O3 Hydrogen trioxide 0.963 2 4
    0.963 3 5
HCCOH ethynol 0.960 3 5
H2COO Dioxymethyl radical 2.000 1 3
    1.968 1 4
H2COO+ dioxymethyl cation 2.030 1 3
    1.955 1 4
Mg(OH)2 Magnesium dihydroxide 0.947 2 4
    0.947 3 5
CH2NOH formaldoxime 0.957 3 6
CH2OOH CH2OOH radical 0.962 3 6
HOCHNH hydroxymethylimine 0.963 2 5
CH2COH+ ketene, protonated 0.980 3 6
CH2BOH hydroxy(methylene)borane 0.959 3 6
CH2FOH fluoromethanol 0.958 3 6
CH2(OH)2 methanediol 0.958 2 6
    0.958 3 7
H2CONH2+ protonated formamide 0.968 2 7
NH2CHOH+ Formamide, O-protonated 0.968 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.956 3 8
CH3CHOH+ acetaldehyde, protonated 0.973 3 8
NH2CH2OH aminomethanol 0.957 3 8
CH2CH2OH 2-hydroxy ethyl radical 0.956 1 4
HCO3- bicarbonate anion 0.958 2 3
HSO3 Hydroxysulfonyl radical 0.964 2 5
HClO3 Chloric Acid 2.461 2 5
H2CO3 Carbonic acid 0.961 3 5
    0.961 4 6
H2NO3+ Nitric Acid, Protonated 0.978 3 5
    0.978 4 6
H2SO3 Sulfurous acid 0.966 3 5
    0.966 4 6
HOCH2CN cyanomethanol 0.958 3 6
NH2COOH Carbamic acid 0.960 4 7
H3CO3+ carbonic acid, protonated 0.971 2 5
    0.971 3 6
    0.971 4 7
H3AlO3 Aluminum hydroxide 0.952 2 5
    0.952 3 6
    0.952 4 7
CHOCH2OH hydroxy acetaldehyde 0.962 3 5
NH3COOH+ protonated Carbamic acid 0.969 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.968 4 7
    0.965 2 8
CH3CHNOH Acetaldoxime 0.957 4 5
CH3C(OH)=NH Ethaninidic acid 0.962 4 9
H2NCOHNH2+ urea, protonated 0.963 2 5
CH2FCH2OH 2-fluoroethanol 0.958 3 9
CH2ClCH2OH 2-Chloroethanol 0.956 4 9
C3H6O 2-Propen-1-ol 0.956 4 10
C3H5OH Cyclopropanol 0.957 4 10
C3H6O Acetone enol 0.959 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.970 4 9
    0.970 4 10
HOCH2CH2NH2 monoethanolamine 0.962 4 11
C3H7OH 1-Propanol 0.956 4 12
HOONO2 peroxy nitric acid 0.964 3 6
HSO4- bisulfate anion 0.959 2 6
CF3OH trifluoromethanol 0.960 2 6
HClO4 perchloric acid 0.967 3 6
CHOCOOH oxo acetic acid 0.966 5 7
C3H2O2 Propiolic acid 0.964 4 7
H2SeO4 Selenic acid 0.964 4 6
    0.964 5 7
H3PO4 Phosphoric Acid 0.959 3 6
    0.959 4 7
    0.959 5 8
HOCH2COOH Hydroxyacetic acid 0.962 5 8
    0.963 3 9
HOCHCCHOH allenediol 0.959 4 8
    0.959 5 9
CH3CH2COOH Propanoic Acid 0.963 4 11
C4H10O 1-Butanol 0.956 5 15
C2H2O4 Oxalic Acid 0.968 3 7
    0.968 4 8
CF3COOH trifluoroacetic acid 0.964 3 8
C4H6O2 Crotonic Acid 0.962 5 12
HO2CCHNH2CH2OH Serine 0.962 2 8
    0.958 6 12
C5H9NO2 Proline 0.962 8 17