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Compare Calculated Bonds for O-C

17 01 10 14 40

CCSD(T)/aug-cc-pVTZ

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
1.290 0.162

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.113
Highest value H2COO+ dioxymethyl cation 2.254

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.183 1 2
CO Carbon monoxide 1.136 1 2
CO+ carbon monoxide cation 1.119 1 2
HCO- formyl anion 1.246 1 3
HCO Formyl radical 1.183 1 3
HCO+ Formyl cation 1.113 1 3
COH+ Carbon Monoxide, protonated 1.162 1 2
H2CO- formaldehyde anion 1.288 1 2
H2CO Formaldehyde 1.211 1 2
H2CO+ formaldehyde cation 1.200 1 2
HOCH hydroxycarbene 1.319 1 2
CH3O- methoxy anion 1.350 1 2
CH3O+ Methoxy cation 1.315 1 2
CH2OH Hydroxymethyl radical 1.371 1 2
CH2OH+ hydroxymethyl cation 1.253 1 2
CH3OH- Methyl alcohol anion 1.426 1 2
CH3OH Methyl alcohol 1.426 1 2
CH3OH+ Methyl alcohol cation 1.377 1 2
CH3OH2+ Methanol, protonated 1.517 1 2
CO2- Carbon dioxide anion 1.237 1 2
    1.237 1 3
CO2 Carbon dioxide 1.167 1 2
    1.167 1 3
CO2+ Carbon dioxide cation 1.181 1 2
    1.181 1 3
CCO Dicarbon monoxide 1.164 2 3
NCO- cyanate 1.234 2 3
NCO isocyanato radical 1.181 2 3
OCS Carbonyl sulfide 1.163 1 2
OCS+ Carbonyl sulfide cation 1.134 1 2
OCSe Carbonyl selenide 1.160 1 2
FCO Carbonyl fluoride 1.174 2 3
FCO+ Carbonyl fluoride cation 1.123 2 3
ClCO carbonyl monochloride 1.163 2 3
HOCO+ Hydrocarboxyl cation 1.231 1 2
    1.129 1 3
HCOO formate neutral radical 1.232 1 3
    1.286 1 4
HCCO ketenyl radical 1.175 1 3
HFCO+ formyl fluoride cation 1.247 1 2
COHCl Formyl chloride 1.188 1 2
COHBr Formyl bromide 1.188 1 2
HCOOH Formic acid 1.348 1 2
    1.204 1 3
C2H2O Oxirene 1.503 1 2
    1.503 1 3
CH2CO Ketene 1.167 2 3
H2COO Dioxymethyl radical 2.248 2 5
    1.275 1 2
H2COO+ dioxymethyl cation 2.254 2 5
    1.260 1 2
CHONH2 formamide 1.216 1 2
CNOH3 1,2-oxaziridine 1.402 1 3
HOCHNH hydroxymethylimine 1.349 1 2
BH3CO Borane carbonyl 1.134 2 3
CH2COH+ ketene, protonated 1.231 2 3
NaOCH3 Sodium methoxide 1.381 2 3
CH2FOH fluoromethanol 1.382 1 3
CH3CHO Acetaldehyde 1.214 1 3
CH3CHO+ acetaldehyde cation 1.204 1 3
C2H4O Ethylene oxide 1.436 1 2
    1.436 1 3
C2H4O+ ethylene oxide cation 1.486 1 2
    1.486 1 3
CH2(OH)2 methanediol 1.408 1 2
    1.408 1 3
H2CONH2+ protonated formamide 1.290 1 2
NH2CHOH+ Formamide, O-protonated 1.290 1 2
CH3CH2O Ethoxy radical 1.380 2 3
CH3CHOH+ acetaldehyde, protonated 1.267 1 3
C3O Tricarbon monoxide 1.155 3 4
CF2O Carbonic difluoride 1.177 1 2
CF2O+ Carbonic difluoride cation 1.272 1 2
COFCl Carbonic chloride fluoride 1.179 1 2
C2H2O2 Ethanedial 1.212 1 5
    1.212 2 6
H2CO3 Carbonic acid 1.207 1 2
    1.340 1 3
    1.340 1 4
C3H2O Propadienal 1.172 3 4
HOCH2CN cyanomethanol 1.414 1 3
NH2COOH Carbamic acid 1.213 1 2
    1.361 1 4
CH3NCO methylisocyante 1.179 3 4
H3CO3+ carbonic acid, protonated 1.282 1 2
    1.282 1 3
    1.282 1 4
NH2CONH2 Urea 1.219 1 2
CH2CHCHO Acrolein 1.217 1 4
NH3COOH+ protonated Carbamic acid 1.181 1 2
    1.315 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.301 1 2
    1.294 1 4
HCONHCH3 N-methylformamide 1.219 1 2
CH5N2O+ urea, N-protonated 1.189 1 2
H2NCOHNH2+ urea, protonated 1.312 1 2
CH2FCH2OH 2-fluoroethanol 1.420 1 3
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.547 1 4
C3O2 Carbon suboxide 1.166 2 4
    1.166 3 5
BeCO3 Beryllium Carbonate 1.189 1 2
    1.397 1 4
    1.397 1 5
MgCO3 Magnesium Carbonate 1.207 1 2
    1.375 1 4
    1.375 1 5
CF3OH trifluoromethanol 1.349 1 2
CHOOCHO diformyl ether 1.192 2 4
    1.192 3 5
    1.378 1 2
    1.378 1 3
CH3COCCH 3-butyn-2-one 1.217 2 3
Na2CO3 Sodium Carbonate 1.356 1 2
    1.279 1 3
    1.279 1 4
C2H4CO3 Ethylene carbonate 1.185 1 2
    1.394 1 3
    1.394 1 4
    1.394 3 5
    1.394 4 6