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Compare Calculated Bonds for O-C

17 01 10 14 40

QCISD(TQ)=FULL/cc-pVDZ

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
1.286 0.210

  Species Name Bond Length (Å)
Lowest value FCO+ Carbonyl fluoride cation 1.127
Highest value H2COO Dioxymethyl radical 2.257

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.244 1 2
CO Carbon monoxide 1.142 1 2
HCO- formyl anion 1.237 1 3
COH+ Carbon Monoxide, protonated 1.170 1 2
H2CO- formaldehyde anion 1.302 1 2
H2CO+ formaldehyde cation 1.207 1 2
CH3O+ Methoxy cation 1.327 1 2
CH2OH Hydroxymethyl radical 1.375 1 2
CH3OH- Methyl alcohol anion 1.350 1 2
CCO Dicarbon monoxide 1.171 2 3
NCO isocyanato radical 1.194 2 3
OCS Carbonyl sulfide 1.167 1 2
FCO Carbonyl fluoride 1.180 2 3
FCO+ Carbonyl fluoride cation 1.127 2 3
ClCO carbonyl monochloride 1.165 2 3
HFCO+ formyl fluoride cation 1.250 1 2
HCOOH Formic acid 1.352 1 2
    1.207 1 3
H2COO Dioxymethyl radical 2.257 2 5
    1.278 1 2
BH3CO Borane carbonyl 1.138 2 3
C3O Tricarbon monoxide 1.159 3 4
NH2CONH2 Urea 1.223 1 2
NH2COOH2+ Carbamic acid, O-protonated 1.305 1 2
    1.298 1 4
C3H6O Oxetane 1.448 1 3
    1.448 1 4