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Compare Calculated Bonds for O-H

17 01 10 14 40

PM6

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.

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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
1.079 0.295

  Species Name Bond Length (Å)
Lowest value LiOH lithium hydroxide 0.845
Highest value HClO3 Chloric Acid 2.511

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
LiOH lithium hydroxide 0.845 1 3
HO2- Hydroperoxy anion 0.987 1 3
HO2 Hydroperoxy radical 1.052 1 3
HO2+ Hydroperoxy cation 1.096 1 3
HOF Hypofluorous acid 0.996 1 2
HOCl hypochlorous acid 1.005 1 2
HOI Hypoiodous acid 0.965 1 3
HOCH hydroxycarbene 1.007 2 4
H2OO water oxide 1.061 1 3
    1.061 1 4
NH2OH hydroxylamine 1.009 2 3
H2POH Phosphinous acid 0.992 2 3
CH3OH- Methyl alcohol anion 0.911 2 6
CH3OH+ Methyl alcohol cation 1.060 2 6
NH3OH+ N-protonated hydroxylamine 1.035 2 3
NH2OH2+ protonated hydroxylamine 1.075 2 5
    1.074 2 6
SiH3OH silanol 0.889 2 6
H5O2+ Dihydroxonium ion 1.254 1 2
    1.254 1 3
    1.000 2 4
    1.000 2 5
    1.000 3 6
    1.000 3 7
O3H+ protonated ozone 2.048 2 4
HCOOH Formic acid 0.980 2 5
CH2FOH fluoromethanol 0.982 3 6
NH2CHOH+ Formamide, O-protonated 1.019 2 7
CH3OHH2O methanol water dimer 0.966 1 2
    1.984 1 3
    0.950 3 5
    0.951 3 6
HNO3 Nitric acid 1.012 2 5
HClO3 Chloric Acid 2.511 2 5
H2NO3+ Nitric Acid, Protonated 1.013 3 5
    1.013 4 6
NH2COOH Carbamic acid 0.995 4 7
CH3COOH Acetic acid 0.994 7 8
CHOCH2OH hydroxy acetaldehyde 0.996 3 5
C3H4O allenol 0.968 4 8
CH3C(OH)=NH Ethaninidic acid 1.002 4 9
CH2FCH2OH 2-fluoroethanol 0.981 3 9
C3H6O Acetone enol 0.987 4 10
C3H7OH 1-Propanol 0.973 4 12
HOCH2COOH Hydroxyacetic acid 0.997 3 9
    0.991 5 8
C3H8O2 1,3-Propanediol 0.972 6 8
    0.980 7 9
C6H12O2 Hexanoic acid 0.976 7 20