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Compare Calculated Bonds for O-C

17 01 10 14 40

B2PLYP=FULLultrafine/6-311G**

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.30 are in the 2.30 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.321 0.197

  Species Name Bond Length (Å)
Lowest value CO Carbon monoxide 1.132
Highest value H2COO+ dioxymethyl cation 2.263

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.231 1 2
CO Carbon monoxide 1.132 1 2
HCO- formyl anion 1.217 1 3
COH+ Carbon Monoxide, protonated 1.160 1 2
H2CO- formaldehyde anion 1.298 1 2
CH3O- methoxy anion 1.308 1 2
CH3O+ Methoxy cation 1.297 1 2
CH2OH+ hydroxymethyl cation 1.248 1 2
HOCO Hydrocarboxyl radical 1.345 1 2
    1.181 1 3
H2COO dioxymethyl 2.248 2 5
    1.274 1 2
H2COO+ dioxymethyl cation 2.263 2 5
    1.255 1 2
CNOH3 1,2-oxaziridine 1.397 1 3
BH3CO Borane carbonyl 1.133 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.376 1 3
CH3CHOH+ acetaldehyde, protonated 1.265 1 3
NH2CH2OH aminomethanol 1.427 2 3
C3O Tricarbon monoxide 1.155 3 4
NH2CONH2 Urea 1.218 1 2
NH3COOH+ protonated Carbamic acid 1.177 1 2
    1.309 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.298 1 2
    1.291 1 4
HCONHCH3 N-methylformamide 1.219 1 2
CH5N2O+ urea, N-protonated 1.182 1 2
H2NCOHNH2+ urea, protonated 1.309 1 2
CH2ClCH2OH 2-Chloroethanol 1.421 1 4
C3H6O Oxetane 1.446 1 3
    1.446 1 4
C3H5OH Cyclopropanol 1.402 1 4
C3H6O Acetone enol 1.368 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.549 1 4
BeCO3 Beryllium Carbonate 1.185 1 2
    1.399 1 4
    1.399 1 5
MgCO3 Magnesium Carbonate 1.203 1 2
    1.377 1 4
    1.377 1 5
CH3OCH2CN Methoxyacetonitrile 1.421 1 2
    1.403 2 3
ClCOClCO Oxalyl chloride 1.183 1 3
    1.183 2 4
C2H2O4 Oxalic Acid 1.325 1 3
    1.325 2 4
    1.205 1 5
    1.205 2 6
C4H3ClO Furan, 2-chloro 1.353 1 5
    1.369 4 5
C2H4O4 Formic acid dimer 1.219 1 3
    1.219 2 4
    1.313 1 5
    1.313 2 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.219 1 2
C4H8O2 Butanoic acid 1.358 1 5
    1.206 1 6
CF3COF trifluoroacetyl fluoride 1.182 2 3
CF3COO- trifluoro acetate anion 1.242 2 6
    1.244 2 7