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Compare Calculated Bonds for H-O

17 01 10 14 40

BLYP/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.

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 line line line histogram chart line line line line line line line line line line line histogram chart 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
1.038 0.243

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.964
Highest value HClO3 Chloric Acid 2.710

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
OH- hydroxide anion 0.981 1 2
OH Hydroxyl radical 0.991 1 2
OH+ hydoxyl cation 1.057 1 2
H2O- water anion 0.989 1 2
    0.989 1 3
H2O Water 0.975 1 2
    0.975 1 3
H2O+ water cation 1.021 1 2
    1.021 1 3
D2O Deuterium oxide 0.975 1 2
    0.975 1 3
HDO Water-d1 0.975 1 2
    0.975 1 3
H3O+ hydronium cation 0.992 1 2
    0.992 1 3
    0.992 1 4
LiOH lithium hydroxide 0.964 1 3
HO2 Hydroperoxy radical 0.993 1 3
HO2+ Hydroperoxy cation 1.034 1 3
BeOH beryllium monohydroxide 0.966 1 3
NOH Hydroxyimidogen 0.989 2 3
NOH+ O-protonated nitric oxide 1.044 2 3
COH+ Carbon Monoxide, protonated 1.011 2 3
NaOH sodium hydroxide 0.971 1 3
MgOH magnesium hydroxide 0.969 1 3
SOH+ Sulfur Monoxide, protonated 1.000 2 3
HOF Hypofluorous acid 0.987 1 2
HOCl hypochlorous acid 0.983 1 2
HOCl+ hypochlorous acid cation 1.009 1 2
DOCl Hypochlorous acid-d 0.983 1 2
H2O2 Hydrogen peroxide 0.982 1 3
    0.982 2 4
H2OO water oxide 0.983 1 3
    0.983 1 4
HOSH hydrogen thioperoxide 0.979 2 4
CH2OH Hydroxymethyl radical 0.975 2 5
CH2OH+ hydroxymethyl cation 0.997 2 5
NH2OH hydroxylamine 0.976 2 3
NH2OH+ Hydroxylamine cation 0.996 2 3
CH3OH+ Methyl alcohol cation 0.999 2 6
NH3OH+ N-protonated hydroxylamine 0.988 2 3
H2OH2O water dimer 0.984 1 2
    1.963 1 3
    0.974 2 4
    0.976 3 5
    0.976 3 6
NH2OH2+ protonated hydroxylamine 0.991 2 5
    0.993 2 6
SiH3OH silanol 0.973 2 6
H5O2+ Dihydroxonium ion 1.217 1 2
    1.217 1 3
    0.981 2 4
    0.981 2 5
    0.981 3 6
    0.981 3 7
HOCO Hydrocarboxyl radical 0.980 2 4
HNO2 Nitrous acid 0.983 1 2
O3H+ protonated ozone 1.009 2 4
NNOH+ Nitrous Oxide, O-protonated 1.006 3 4
SO2H+ protonated sulfur dioxide 1.001 2 4
HCOOH Formic acid 0.984 2 5
Be(OH)2 Beryllium hydroxide 0.966 2 4
    0.966 3 5
H2COO Dioxymethyl radical 2.057 1 3
    2.005 1 4
H2COO+ dioxymethyl cation 2.074 1 3
    1.985 1 4
CH2NOH formaldoxime 0.977 3 6
HOCHNH hydroxymethylimine 0.976 2 5
CH2COH+ ketene, protonated 1.000 3 6
CH2BOH hydroxy(methylene)borane 0.977 3 6
CH2FOH fluoromethanol 0.977 3 6
CH3OOH Methyl peroxide 0.981 3 7
NH2CHOH+ Formamide, O-protonated 0.987 2 7
CH3CHOH 1-hydroxy-ethyl radical 0.975 3 8
CH3CHOH+ acetaldehyde, protonated 0.991 3 8
NH2CH2OH aminomethanol 0.976 3 8
CH3CH2OH Ethanol 0.974 3 4
HNO3 Nitric acid 0.985 2 5
HClO3 Chloric Acid 2.710 2 5
HOCH2CN cyanomethanol 0.977 3 6
H3AlO3 Aluminum hydroxide 0.971 2 5
    0.971 3 6
    0.971 4 7
CH3COOH Acetic acid 0.982 7 8
NH3COOH+ protonated Carbamic acid 0.988 4 7
NH2COOH2+ Carbamic acid, O-protonated 0.985 4 7
    0.983 2 8
CH3CHNOH Acetaldoxime 0.976 4 5
CH3C(OH)=NH Ethaninidic acid 0.982 4 9
H2NCOHNH2+ urea, protonated 0.980 2 5
CH2FCH2OH 2-fluoroethanol 0.977 3 9
CH2ClCH2OH 2-Chloroethanol 0.974 4 9
C2H6O2 1,2-Ethanediol 0.974 3 5
    0.974 4 6
C3H5OH Cyclopropanol 0.976 4 10
C3H6O Acetone enol 0.977 4 10
CH2ClCH2OH2+ 2-chloroethanol, protonated 0.986 4 9
    0.986 4 10
CH3CHOHCH3 Isopropyl alcohol 0.975 4 12
C3H7OH 1-Propanol 0.974 4 12
HSO3F Fluorosulfonic acid 0.985 1 2
H2SO4 Sulfuric acid 0.984 5 6
    0.984 4 7
C3H4O2 2-Propenoic acid 0.981 1 2
H2NCH2COOH Glycine 0.982 3 6
C3H8O2 Propylene glycol 0.979 1 2
    0.976 3 4
C4H8O Cyclobutanol 0.976 5 13
C3H8O2 Hydroperoxide, 1-methylethyl 0.981 1 2
C4H10O Ethanol, 1,1-dimethyl- 0.976 14 15
C4H10O 2-Butanol, (.+/-.)- 0.977 1 2
C2H2O4 Oxalic Acid 0.990 3 7
    0.990 4 8
C2H3NO3 Oxamic acid 0.983 5 9
C2H4O4 Formic acid dimer 1.021 6 9
    1.021 5 10
CH3CH(NH2)COOH Alanine 1.001 5 13
NH2CH2CH2COOH β–alanine 1.009 5 13
CH3NHCH2COOH Sarcosine 1.000 5 13
C3H8O3 1,2,3-Propanetriol 0.974 9 10
    0.973 11 12
    0.979 13 14
C4H8O2 Butanoic acid 0.982 5 14
C5H10O Cyclopentanol 0.975 15 16
C4H10O2 1,3-Butanediol 0.975 1 2
    0.974 3 4
C4H10O2 1,4-Butanediol 0.974 1 7
    0.974 2 8
C4H11NO Diethylhydroxylamine 0.991 2 3
C5H12O 1-Pentanol 0.974 1 2
C5H12O 1-Butanol, 3-methyl- 0.974 15 16
C5H12O 1-Butanol, 2-methyl- 0.974 5 6
C5H12O 3-Pentanol 0.974 6 18
C5H12O 2-Butanol, 3-methyl- 0.975 9 10
C5H12O 2-Pentanol 0.975 5 6
C6H5OH phenol 0.976 7 8