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Compare Calculated Bonds for O-C

17 01 10 14 40

CCSD(T)/6-31G**

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
1.320 0.162

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.125
Highest value H2COO+ dioxymethyl cation 2.279

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.251 1 2
CO Carbon monoxide 1.148 1 2
CO+ carbon monoxide cation 1.132 1 2
HCO- formyl anion 1.256 1 3
HCO Formyl radical 1.194 1 3
HCO+ Formyl cation 1.125 1 3
COH+ Carbon Monoxide, protonated 1.173 1 2
H2CO- formaldehyde anion 1.310 1 2
H2CO Formaldehyde 1.220 1 2
H2CO+ formaldehyde cation 1.215 1 2
CH3O- methoxy anion 1.326 1 2
CH3O+ Methoxy cation 1.338 1 2
CH2OH Hydroxymethyl radical 1.377 1 2
CH2OH+ hydroxymethyl cation 1.259 1 2
CH3OH+ Methyl alcohol cation 1.410 1 2
CO2 Carbon dioxide 1.177 1 2
    1.177 1 3
NCO isocyanato radical 1.194 2 3
OCS Carbonyl sulfide 1.173 1 2
OCSe Carbonyl selenide 1.171 1 2
HCCO ketenyl radical 1.188 1 3
HCOOH Formic acid 1.352 1 2
    1.212 1 3
C2H2O Oxirene 1.512 1 2
    1.512 1 3
CH2CO Ketene 1.180 2 3
H2COO Dioxymethyl radical 2.264 2 5
    1.290 1 2
H2COO+ dioxymethyl cation 2.279 2 5
    1.267 1 2
CH3CO Acetyl radical 1.198 2 3
CNOH3 1,2-oxaziridine 1.406 1 3
HOCHNH hydroxymethylimine 1.363 1 2
BH3CO Borane carbonyl 1.144 2 3
CH2COH+ ketene, protonated 1.240 2 3
CH2FOH fluoromethanol 1.385 1 3
CH3CHO Acetaldehyde 1.222 1 3
CH3CHO+ acetaldehyde cation 1.218 1 3
C2H4O Ethylene oxide 1.438 1 2
    1.438 1 3
C2H4O+ ethylene oxide cation 1.499 1 2
    1.499 1 3
NH2CHOH+ Formamide, O-protonated 1.295 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.384 1 3
CH3CHOH+ acetaldehyde, protonated 1.273 1 3
CH3CH2OH Ethanol 1.429 2 3
CH3OCH3 Dimethyl ether 1.417 1 2
    1.417 1 3
C3O Tricarbon monoxide 1.168 3 4
CF2O Carbonic difluoride 1.186 1 2
CF2O+ Carbonic difluoride cation 1.280 1 2
C2H2O2 Ethanedial 1.222 1 5
    1.222 2 6
C3H2O Propadienal 1.184 3 4
HOCH2CN cyanomethanol 1.416 1 3
CH3NCO methylisocyante 1.189 3 4
NH2CONH2 Urea 1.228 1 2
CH2CHCHO Acrolein 1.225 1 4
NH3COOH+ protonated Carbamic acid 1.190 1 2
    1.320 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.307 1 2
    1.300 1 4
CH3COCH2 Acetonyl radical 1.242 1 2
CH5N2O+ urea, N-protonated 1.197 1 2
CH3C(OH)=NH Ethaninidic acid 1.363 1 4
H2NCOHNH2+ urea, protonated 1.318 1 2
CH2FCH2OH 2-fluoroethanol 1.421 1 3
CH2ClCH2OH 2-Chloroethanol 1.425 1 4
CH3CH2CHO Propanal 1.222 3 4
C3H6O Oxetane 1.453 1 3
    1.453 1 4
C3H5OH Cyclopropanol 1.408 1 4
C3H6O Acetone enol 1.379 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.546 1 4
C3H7OH 1-Propanol 1.430 3 4
C3O2 Carbon suboxide 1.179 2 4
    1.179 3 5
BeCO3 Beryllium Carbonate 1.198 1 2
    1.407 1 4
    1.407 1 5
MgCO3 Magnesium Carbonate 1.213 1 2
    1.386 1 4
    1.386 1 5
CHOOCHO diformyl ether 1.201 2 4
    1.201 3 5
    1.384 1 2
    1.384 1 3
CHCl2CHO dichloroacetaldehyde 1.213 2 6
CH3COCCH 3-butyn-2-one 1.226 2 3
CH3OCH2CN Methoxyacetonitrile 1.428 1 2
    1.410 2 3
C4H10O Methyl propyl ether 1.418 1 2
    1.421 2 3
ClCOClCO Oxalyl chloride 1.200 1 3
    1.200 2 4
C2H2O4 Oxalic Acid 1.334 1 3
    1.334 2 4
    1.216 1 5
    1.216 2 6
C3H2O3 vinylene carbonate 1.199 1 2
    1.378 1 3
    1.378 1 4
    1.391 3 5
    1.391 4 6
C4H3ClO Furan, 2-chloro 1.365 1 5
    1.379 4 5
C2H5NO3 Nitric acid, ethyl ester 1.455 2 5
C3H6O3 1,3,5-Trioxane 1.415 1 4
    1.415 2 4
    1.415 1 5
    1.415 3 5
    1.415 3 6
    1.415 2 6
C5H6O Pentadienal 1.226 1 2
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.229 1 2
C5H10O 3-Pentanone 1.227 1 2
CF3COF trifluoroacetyl fluoride 1.199 2 3
CF3COO- trifluoro acetate anion 1.253 2 6
    1.255 2 7
C6H5CHO benzaldehyde 1.225 7 8