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Compare Calculated Bonds for C-O

17 01 10 14 40

CCD/aug-cc-pVTZ

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


Values greater than 2.20 are in the 2.20 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.286 0.147

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.091
Highest value H2COO+ dioxymethyl cation 2.227

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.189 1 2
CO Carbon monoxide 1.126 1 2
CO+ carbon monoxide cation 1.091 1 2
HCO- formyl anion 1.236 1 3
HCO Formyl radical 1.171 1 3
HCO+ Formyl cation 1.102 1 3
COH+ Carbon Monoxide, protonated 1.153 1 2
H2CO- formaldehyde anion 1.277 1 2
H2CO Formaldehyde 1.202 1 2
H2CO+ formaldehyde cation 1.199 1 2
HOCH hydroxycarbene 1.308 1 2
CH3O- methoxy anion 1.345 1 2
CH3O+ Methoxy cation 1.322 1 2
CH2OH Hydroxymethyl radical 1.363 1 2
CH2OH+ hydroxymethyl cation 1.242 1 2
CH3OH- Methyl alcohol anion 1.418 1 2
CH3OH Methyl alcohol 1.418 1 2
CH3OH+ Methyl alcohol cation 1.403 1 2
CH3OH2+ Methanol, protonated 1.507 1 2
CO2- Carbon dioxide anion 1.228 1 2
    1.228 1 3
CO2 Carbon dioxide 1.157 1 2
    1.157 1 3
CO2+ Carbon dioxide cation 1.236 1 2
    1.113 1 3
CCO Dicarbon monoxide 1.152 2 3
NCO isocyanato radical 1.159 2 3
OCS Carbonyl sulfide 1.150 1 2
OCS+ Carbonyl sulfide cation 1.113 1 2
OCSe Carbonyl selenide 1.146 1 2
FCO Carbonyl fluoride 1.162 2 3
FCO+ Carbonyl fluoride cation 1.112 2 3
ClCO carbonyl monochloride 1.153 2 3
HOCO Hydrocarboxyl radical 1.338 1 2
    1.172 1 3
HOCO+ Hydrocarboxyl cation 1.225 1 2
    1.118 1 3
HCOO formate neutral radical 1.192 1 3
    1.331 1 4
HCCO ketenyl radical 1.159 1 3
HFCO+ formyl fluoride cation 1.245 1 2
COHCl Formyl chloride 1.180 1 2
COHBr Formyl bromide 1.179 1 2
HCOOH Formic acid 1.339 1 2
    1.195 1 3
C2H2O Oxirene 1.486 1 2
    1.486 1 3
CH2CO Ketene 1.157 2 3
H2COO Dioxymethyl radical 2.219 2 5
    1.239 1 2
H2COO+ dioxymethyl cation 2.227 2 5
    1.243 1 2
CHONH2 formamide 1.207 1 2
CNOH3 1,2-oxaziridine 1.391 1 3
CH2OOH CH2OOH radical 1.361 1 2
HOCHNH hydroxymethylimine 1.343 1 2
BH3CO Borane carbonyl 1.123 2 3
CH2COH+ ketene, protonated 1.223 2 3
NaOCH3 Sodium methoxide 1.373 2 3
CH2FOH fluoromethanol 1.377 1 3
CH3CHO Acetaldehyde 1.204 1 3
C2H4O Ethylene oxide 1.423 1 2
    1.423 1 3
CH2(OH)2 methanediol 1.401 1 2
    1.401 1 3
H2CONH2+ protonated formamide 1.282 1 2
NH2CHOH+ Formamide, O-protonated 1.283 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.372 1 3
CH3CHOH+ acetaldehyde, protonated 1.257 1 3
NH2CH2OH aminomethanol 1.422 2 3
CH3OCH2 methoxymethyl radical 1.416 1 2
    1.351 1 3
C3O Tricarbon monoxide 1.141 3 4
CF2O Carbonic difluoride 1.168 1 2
CF2O+ Carbonic difluoride cation 1.268 1 2
COFCl Carbonic chloride fluoride 1.171 1 2
COBr2 Carbonic dibromide 1.171 1 2
C2H2O2 Ethanedial 1.202 1 5
    1.202 2 6
H2CO3 Carbonic acid 1.199 1 2
    1.332 1 3
    1.332 1 4
C3H2O Propadienal 1.162 3 4
HOCH2CN cyanomethanol 1.407 1 3
NH2COOH Carbamic acid 1.204 1 2
    1.351 1 4
CH3NCO methylisocyante 1.169 3 4
H3CO3+ carbonic acid, protonated 1.275 1 2
    1.275 1 3
    1.275 1 4
NH2CONH2 Urea 1.209 1 2
CH2CHCHO Acrolein 1.206 1 4
C3H4O Cyclopropanone 1.194 1 2
NH3COOH+ protonated Carbamic acid 1.172 1 2
    1.308 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.293 1 2
    1.287 1 4
HCONHCH3 N-methylformamide 1.211 1 2
CH3COCH2 Acetonyl radical 1.205 1 2
CH5N2O+ urea, N-protonated 1.180 1 2
CH3C(OH)=NH Ethaninidic acid 1.351 1 4
H2NCOHNH2+ urea, protonated 1.304 1 2
CH2FCH2OH 2-fluoroethanol 1.413 1 3
CH2ClCH2OH 2-Chloroethanol 1.418 1 4
C3H6O 2-Propen-1-ol 1.423 1 4
CH3CH2CHO Propanal 1.204 3 4
C3H6O Oxetane 1.440 1 3
    1.440 1 4
C3H5OH Cyclopropanol 1.399 1 4
C3H6O Acetone enol 1.368 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.530 1 4
HOCH2CH2NH2 monoethanolamine 1.412 3 4
C3O2 Carbon suboxide 1.154 2 4
    1.154 3 5
BeCO3 Beryllium Carbonate 1.181 1 2
    1.384 1 4
    1.384 1 5
MgCO3 Magnesium Carbonate 1.199 1 2
    1.362 1 4
    1.362 1 5
CF3OH trifluoromethanol 1.344 1 2
CHOCOOH oxo acetic acid 1.202 1 3
    1.194 2 4
    1.330 2 5
C3H2O2 Propiolic acid 1.341 1 4
    1.197 1 5
CHOOCHO diformyl ether 1.184 2 4
    1.184 3 5
    1.366 1 2
    1.366 1 3
CHCl2CHO dichloroacetaldehyde 1.194 2 6
C3H3NO Isoxazole 1.340 3 5
C3H3NO Oxazole 1.349 1 2
    1.364 1 5
C3H4O2 Methyl glyoxal 1.201 1 4
    1.207 2 5
HOCH2COOH Hydroxyacetic acid 1.399 1 5
    1.338 2 3
    1.201 2 4
CH3COCCH 3-butyn-2-one 1.206 2 3
C2H4O3 1,2,3-trioxolane 1.419 2 4
    1.419 3 5
HOCHCCHOH allenediol 1.366 2 4
    1.366 3 5
Na2CO3 Sodium Carbonate 1.344 1 2
    1.271 1 3
    1.271 1 4
C4H6O2 γ–Butyrolactone 1.355 1 5
    1.192 1 6
    1.434 4 5
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.214 1 2
C4H8O2 Ethyl acetate 1.342 2 3
    1.202 2 4
    1.435 3 5
C5H10O 2-methylbutyraldehyde 1.204 1 6
CF3COF trifluoroacetyl fluoride 1.179 2 3
CF3COO- trifluoro acetate anion 1.236 2 6
    1.238 2 7