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Compare Calculated Bonds for C-O

17 01 10 14 40

QCISD(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
1.295 0.163

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.114
Highest value H2COO+ dioxymethyl cation 2.258

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.186 1 2
CO Carbon monoxide 1.137 1 2
CO+ carbon monoxide cation 1.124 1 2
HCO- formyl anion 1.247 1 3
HCO Formyl radical 1.184 1 3
HCO+ Formyl cation 1.114 1 3
COH+ Carbon Monoxide, protonated 1.163 1 2
H2CO- formaldehyde anion 1.289 1 2
H2CO Formaldehyde 1.212 1 2
H2CO+ formaldehyde cation 1.201 1 2
HOCH hydroxycarbene 1.321 1 2
CH3O- methoxy anion 1.351 1 2
CH3O+ Methoxy cation 1.317 1 2
CH2OH Hydroxymethyl radical 1.372 1 2
CH2OH+ hydroxymethyl cation 1.254 1 2
CH3OH- Methyl alcohol anion 1.427 1 2
CH3OH Methyl alcohol 1.426 1 2
CH3OH+ Methyl alcohol cation 1.378 1 2
CH3OH2+ Methanol, protonated 1.518 1 2
CO2 Carbon dioxide 1.168 1 2
    1.168 1 3
CO2+ Carbon dioxide cation 1.182 1 2
    1.182 1 3
CCO Dicarbon monoxide 1.166 2 3
NCO isocyanato radical 1.183 2 3
OCS Carbonyl sulfide 1.164 1 2
OCS+ Carbonyl sulfide cation 1.137 1 2
OCSe Carbonyl selenide 1.161 1 2
FCO Carbonyl fluoride 1.175 2 3
FCO+ Carbonyl fluoride cation 1.125 2 3
ClCO carbonyl monochloride 1.165 2 3
HOCO+ Hydrocarboxyl cation 1.232 1 2
    1.131 1 3
HCOO formate neutral radical 1.227 1 3
    1.301 1 4
HCCO ketenyl radical 1.177 1 3
HFCO+ formyl fluoride cation 1.248 1 2
HCOOH Formic acid 1.349 1 2
    1.205 1 3
C2H2O Oxirene 1.504 1 2
    1.504 1 3
CH2CO Ketene 1.168 2 3
H2COO Dioxymethyl radical 2.254 2 5
    1.275 1 2
H2COO+ dioxymethyl cation 2.258 2 5
    1.262 1 2
CHONH2 formamide 1.217 1 2
CH3CO+ acetyl cation 1.121 2 3
CNOH3 1,2-oxaziridine 1.403 1 3
HOCHNH hydroxymethylimine 1.350 1 2
BH3CO Borane carbonyl 1.135 2 3
CH2COH+ ketene, protonated 1.232 2 3
NaOCH3 Sodium methoxide 1.381 2 3
CH2FOH fluoromethanol 1.383 1 3
CH3CHO Acetaldehyde 1.214 1 3
CH3CHO+ acetaldehyde cation 1.205 1 3
C2H4O Ethylene oxide 1.436 1 2
    1.436 1 3
C2H4O+ ethylene oxide cation 1.487 1 2
    1.487 1 3
CH2(OH)2 methanediol 1.409 1 2
    1.409 1 3
H2CONH2+ protonated formamide 1.290 1 2
NH2CHOH+ Formamide, O-protonated 1.290 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.380 1 3
CH3CHOH+ acetaldehyde, protonated 1.268 1 3
C3O Tricarbon monoxide 1.156 3 4
CF2O Carbonic difluoride 1.177 1 2
CF2O+ Carbonic difluoride cation 1.272 1 2
C2H2O2 Ethanedial 1.212 1 5
    1.212 2 6
C3H2O Propadienal 1.173 3 4
HOCH2CN cyanomethanol 1.415 1 3
NH2COOH Carbamic acid 1.213 1 2
    1.361 1 4
CH3NCO methylisocyante 1.180 3 4
H3CO3+ carbonic acid, protonated 1.283 1 2
    1.283 1 3
    1.283 1 4
NH2CONH2 Urea 1.218 1 2
CH2CHCHO Acrolein 1.217 1 4
NH3COOH+ protonated Carbamic acid 1.182 1 2
    1.316 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.301 1 2
    1.295 1 4
CH5N2O+ urea, N-protonated 1.189 1 2
CH3C(OH)=NH Ethaninidic acid 1.359 1 4
H2NCOHNH2+ urea, protonated 1.312 1 2
CH2FCH2OH 2-fluoroethanol 1.421 1 3
C3H6O Oxetane 1.452 1 3
    1.452 1 4
C3O2 Carbon suboxide 1.167 2 4
    1.167 3 5
BeCO3 Beryllium Carbonate 1.189 1 2
    1.398 1 4
    1.398 1 5
MgCO3 Magnesium Carbonate 1.208 1 2
    1.375 1 4
    1.375 1 5
CF3OH trifluoromethanol 1.350 1 2
CHOOCHO diformyl ether 1.193 2 4
    1.193 3 5
    1.379 1 2
    1.379 1 3
C3H3NO Isoxazole 1.348 3 5
CH3COCCH 3-butyn-2-one 1.218 2 3
C2O4-- oxalate anion 1.270 1 3
    1.270 1 4
    1.270 2 5
    1.270 2 6
Na2CO3 Sodium Carbonate 1.357 1 2
    1.280 1 3
    1.280 1 4
C2H4CO3 Ethylene carbonate 1.186 1 2
    1.394 1 3
    1.394 1 4
    1.394 3 5
    1.394 4 6