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Compare Calculated Bonds for C-O

17 01 10 14 40

HF/6-311+G(3df,2p)

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
1.307 0.127

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.077
Highest value H2COO Dioxymethyl radical 2.231

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.143 1 2
CO Carbon monoxide 1.103 1 2
CO+ carbon monoxide cation 1.086 1 2
HCO- formyl anion 1.212 1 3
HCO Formyl radical 1.149 1 3
HCO+ Formyl cation 1.077 1 3
H2CO- formaldehyde anion 1.271 1 2
H2CO Formaldehyde 1.177 1 2
H2CO+ formaldehyde cation 1.201 1 2
CH3O- methoxy anion 1.323 1 2
CH3O Methoxy radical 1.376 1 2
CH2OH Hydroxymethyl radical 1.352 1 2
CH2OH+ hydroxymethyl cation 1.226 1 2
CH3OH+ Methyl alcohol cation 1.466 1 2
CO2 Carbon dioxide 1.135 1 2
    1.135 1 3
CCO Dicarbon monoxide 1.128 2 3
NCO isocyanato radical 1.146 2 3
OCS Carbonyl sulfide 1.123 1 2
OCSe Carbonyl selenide 1.117 1 2
HNCO Isocyanic acid 1.137 3 4
HOCN cyanic acid 1.280 2 3
HOCO Hydrocarboxyl radical 1.314 1 2
    1.152 1 3
HCCO ketenyl radical 1.145 1 3
HFCO formyl fluoride 1.156 1 2
HCOOH Formic acid 1.318 1 2
    1.175 1 3
C2H2O Oxirene 1.456 1 2
    1.456 1 3
CH2O2 Dioxirane 1.352 1 4
    1.352 1 5
CH2CO Ketene 1.134 2 3
HCCOH ethynol 1.295 1 3
H2COO Dioxymethyl radical 2.231 2 5
    1.195 1 2
H2COO+ dioxymethyl cation 2.201 2 5
    1.225 1 2
CHONH2 formamide 1.186 1 2
CH3OO methylperoxy radical 1.413 1 2
CH3CO Acetyl radical 1.155 2 3
HOCHNH hydroxymethylimine 1.331 1 2
BH3CO Borane carbonyl 1.098 2 3
CH2COH+ ketene, protonated 1.207 2 3
CH2FOH fluoromethanol 1.360 1 3
CH3CHO Acetaldehyde 1.180 1 3
CH3CHO+ acetaldehyde cation 1.212 1 3
C2H4O Ethylene oxide 1.396 1 2
    1.396 1 3
C2H4O+ ethylene oxide cation 1.490 1 2
    1.490 1 3
CH2CHOH ethenol 1.341 2 3
CH3OOH Methyl peroxide 1.395 1 2
NH2CHOH+ Formamide, O-protonated 1.264 1 2
NH2CH2OH aminomethanol 1.401 2 3
H2OCH3OH water methanol dimer 1.403 3 6
CH3OHH2O methanol water dimer 1.393 2 4
CH3CH2OH Ethanol 1.403 2 3
CH3OCH3 Dimethyl ether 1.388 1 2
    1.388 1 3
CF2O Carbonic difluoride 1.150 1 2
CF2O+ Carbonic difluoride cation 1.253 1 2
CCl2O Phosgene 1.152 1 2
C2H2O2 Ethanedial 1.176 1 5
    1.176 2 6
C3H2O Propadienal 1.141 3 4
HOCH2CN cyanomethanol 1.384 1 3
CH3NCO methylisocyante 1.147 3 4
CH3ONO Methyl nitrite 1.418 1 2
CH3COF Acetyl fluoride 1.161 1 3
CH3COCl Acetyl Chloride 1.160 1 3
HCOOHH2O Formic acid water dimer 1.183 4 5
    1.306 2 4
H2OHCOOH Water formic acid dimer 1 1.175 6 7
    1.325 3 6
H2OHCOOH Water formic acid dimer 2 1.313 5 6
    1.180 3 5
NH2CONH2 Urea 1.192 1 2
CH3COOH Acetic acid 1.181 2 3
    1.327 2 7
CH2CHCHO Acrolein 1.182 1 4
C3H4O 2-Propyn-1-ol 1.396 1 4
CH3OCHO methyl formate 1.416 1 2
    1.177 3 4
    1.310 2 3
CHOCH2OH hydroxy acetaldehyde 1.379 1 3
    1.181 2 4
C3H4O Cyclopropanone 1.171 1 2
C3H4O Methylketene 1.138 1 4
C3H4O allenol 1.351 1 4
CH3CONH2 Acetamide 1.192 2 4
CH3C(OH)=NH Ethaninidic acid 1.332 1 4
CH2FCH2OH 2-fluoroethanol 1.393 1 3
CH3COCH3 Acetone 1.186 1 2
C3H6O Propylene oxide 1.399 1 6
    1.400 1 8
C2H6O2 1,2-Ethanediol 1.400 2 3
    1.400 1 4
CH3CH2CHO Propanal 1.181 3 4
C3H6O Acetone enol 1.348 2 4
H2OCH3OCH3 water dimethylether dimer 1.392 3 4
    1.392 3 5
CH3CHOHCH3 Isopropyl alcohol 1.406 1 4
C3H7OH 1-Propanol 1.403 3 4
C3O2 Carbon suboxide 1.127 2 4
    1.127 3 5
CHOOCHO diformyl ether 1.163 2 4
    1.163 3 5
    1.343 1 2
    1.343 1 3
CHCl2CHO dichloroacetaldehyde 1.170 2 6
C3H3NO Isoxazole 1.314 3 5
CH3NO3 Methyl nitrate 1.424 4 5
C3H4O2 β–Propiolactone 1.165 2 3
    1.435 1 7
    1.339 1 2
C3H4O2 2-Propenoic acid 1.326 1 4
    1.183 3 4
C4H4O Furan 1.339 1 2
    1.339 1 3
C3H4O2 propanedial 1.180 2 4
    1.179 3 5
CH3COCCH 3-butyn-2-one 1.182 2 3
C3H4O2 propenalol 1.199 2 4
    1.306 3 5
H2NCH2COOH Glycine 1.180 1 2
    1.326 1 3
CH2CHCONH2 Acrylamide 1.193 2 4
CH3OCH2CN Methoxyacetonitrile 1.399 1 2
    1.375 2 3
C3H5ClO Oxirane, (chloromethyl)- 1.395 3 5
    1.402 4 5
CH3COOCH3 methyl acetate 1.182 2 3
    1.321 2 4
    1.413 4 5
CH2CHOCHCH2 Vinyl ether 1.346 1 2
    1.346 1 3
HCOOC2H5 Ethyl formate 1.424 2 3
    1.178 4 5
    1.309 3 4
C2H6N2O Urea, methyl- 1.197 7 11
C3H6O2 1,3-Dioxolane 1.404 2 4
    1.394 1 4
    1.384 1 5
    1.398 3 5
C4H6O Cyclobutanone 1.174 1 2
C4H6O Furan, 2,3-dihydro- 1.346 4 5
    1.422 5 11
C4H6O Furan, 2,5-dihydro- 1.404 1 2
    1.404 1 5
CHOCHCHCH3 2-Butenal 1.184 4 5
C4H6O cis-2-butenal 1.185 1 5
C3H7NO Propanamide 1.192 4 5
C3H8O2 Propylene glycol 1.404 3 5
    1.398 1 8
CHOCH(CH3)CH3 Propanal, 2-methyl- 1.181 11 13
CH3COCH2CH3 2-Butanone 1.186 2 5
C3H8O2 Methane, dimethoxy- 1.377 1 4
    1.377 1 5
    1.396 4 6
    1.396 5 7
C2H3OC2H5 Ethene, ethoxy- 1.339 4 6
    1.403 6 7
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1.398 1 5
    1.355 5 10
CHOCH2CH2CH3 Butanal 1.181 11 13
C3H8O2 1,3-Propanediol 1.401 2 6
    1.401 3 7
C4H8O Cyclobutanol 1.387 1 5
C3H8O2 Hydroperoxide, 1-methylethyl 1.410 3 12
C4H10O Ethoxy ethane 1.392 1 2
    1.392 1 3
C4H10O Ethanol, 1,1-dimethyl- 1.413 1 15
C4H10O Methyl propyl ether 1.387 1 2
    1.392 2 3
C4H10O Propane, 2-methoxy- 1.390 1 5
    1.405 5 14
C4H10O 2-Butanol, (.+/-.)- 1.406 1 6
C3H2O3 vinylene carbonate 1.164 1 2
    1.334 1 3
    1.334 1 4
    1.366 3 5
    1.366 4 6
C2H3NO3 Oxamic acid 1.183 2 3
    1.180 1 4
    1.305 1 5
C2H4N2O2 Oxalamide 1.192 1 3
    1.192 2 4
C4H4O2 2-Oxetanone, 4-methylene- 1.161 5 6
    1.383 4 10
    1.355 4 5
C4H5NO Isoxazole, 5-methyl- 1.318 5 6
C4H5NO 3-Methylisoxazole 1.313 5 6
C3H5ClO2 Carbonochloridic acid, ethyl ester 1.428 1 4
    1.161 9 11
    1.297 1 11
C4H6O2 2-Propenoic acid, methyl ester 1.413 4 5
    1.318 5 7
    1.183 6 7
C4H6O2 γ–Butyrolactone 1.416 4 5
    1.329 1 5
    1.174 1 6
C3H6O3 1,3,5-Trioxane 1.384 2 4
    1.384 1 4
    1.384 1 5
    1.384 3 5
    1.384 3 6
    1.384 2 6
C5H6O Pentadienal 1.184 1 2
C2H6O3S Sulfurous acid, dimethyl ester 1.415 3 5
    1.425 4 6
C4H6OS Dihydro-3-(2H)-thiophenone 1.180 1 11
C4H6OS Dihydro-2-(3H)-thiophenone 1.175 10 11
C4H6OS 4,5-dihydrothiophene-3-ol 1.346 3 6
C4H6OS 2,5-dihydrothiophene-3-ol 1.342 3 6
C4H6OS 4,5-dihydrothiophene-2-ol 1.335 2 6
C4H6OS 2,3-dihydrothiophene-2-ol 1.381 2 6
HCONH2CN2H4 formamide aminomethanimine dimer 1.197 4 5
NH2COOC2H5 Urethane 1.411 5 8
    1.183 12 13
    1.324 8 12
CH3CH(NH2)COOH Alanine 1.316 4 5
    1.178 4 6
C4H7NO Methacrylamide 1.084 4 5
NH2CH2CH2COOH β–alanine 1.319 4 5
    1.179 4 6
CH3NHCH2COOH Sarcosine 1.318 4 5
    1.177 4 6
CH3CH(CH3)ONO Isopropyl nitrite 1.429 2 11
C4H7NO 2-Pyrrolidinone 1.190 2 6
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1.419 2 5
    1.340 5 6
C3H8O3 1,2,3-Propanetriol 1.401 8 10
    1.406 3 12
    1.397 5 14
C5H8O 2H-Pyran, 3,4-dihydro- 1.407 13 14
    1.343 2 14
C4H8O2 1,4-Dioxane 1.398 3 5
    1.398 4 5
    1.398 2 6
    1.398 1 6
C4H8O2 Ethyl acetate 1.319 2 3
    1.183 2 4
    1.420 3 5
C4H8O2 1,3-Dioxolane, 2-methyl- 1.396 5 7
    1.387 5 8
    1.396 8 9
    1.402 7 12
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.198 2 3
NH2CONHC2H5 Urea, ethyl- 1.197 13 14
C4H8O2 Ethene, 1,1-dimethoxy- 1.323 2 5
    1.323 2 6
    1.398 5 7
    1.398 6 8
C5H8O Furan, 2,3-dihydro-5-methyl- 1.420 1 4
    1.352 4 14
C4H8OS s-Ethyl thioacetate 1.180 1 2
C4H9NO Butanamide 1.192 14 15
C4H9NO Propanamide, 2-methyl- 1.194 13 14
C4H9ClO 1-Chloro-2-ethoxyethane 1.396 5 6
    1.388 3 6
C5H10O 3-Pentanone 1.186 1 2
C5H10O Cyclopentanol 1.399 14 16
C5H10O 2-Pentanone 1.186 4 6
C4H10O2 1,3-Butanediol 1.408 1 9
    1.404 3 14
C5H10O Pentanal 1.181 1 6
C4H10O2 1,4-Butanediol 1.402 1 3
    1.402 2 4
C4H10O2 Ethane, 1,2-dimethoxy- 1.388 2 3
    1.388 1 4
    1.390 1 5
    1.390 2 6
C5H10O 2H-Pyran, tetrahydro- 1.397 1 7
    1.397 1 8
C4H10O2 1,1-Dimethoxyethane 1.390 1 3
    1.390 2 4
    1.382 2 5
    1.382 1 5
C5H10O 2-Butanone, 3-methyl- 1.187 1 2
C5H10O Oxetane, 3,3-dimethyl- 1.414 11 16
    1.414 10 16
C5H12O 1-Pentanol 1.402 1 3
C5H12O 1-Butanol, 3-methyl- 1.404 14 16
C5H12O 1-Butanol, 2-methyl- 1.403 5 7
C5H12O 2-Butanol, 3-methyl- 1.408 9 11
C5H12O Butane, 1-methoxy- 1.387 3 4
    1.392 4 5
C5H12O Propane, 1-ethoxy- 1.392 5 8
    1.391 8 9
C5H12O Propane, 2-methoxy-2-methyl- 1.413 1 2
    1.389 1 4
C5H12O 2-Pentanol 1.407 5 7
C5H4O2 furfural 1.183 6 7
    1.328 1 2
    1.347 1 4
C5H5NO 3-Pyridinol 1.347 3 7
C5H5NO 2-Pyridinol 1.331 2 7
C5H5NO 4-Pyridinol 1.336 4 7
C5H5NO 3(2H)-Pyridinone 1.188 3 7
C5H5NO 3(6H)-Pyridinone 1.188 3 7
C5H5NO 3(4H)-Pyridinone 1.185 3 7
C5H5NO 2(5H)-Pyridinone 1.182 2 7
C5H5NO 2(3H)-Pyridinone 1.180 2 7
C5H5NO 4(3H)-Pryidinone 1.189 4 7
C5H5NO 4(1H)-Pryidinone 1.200 4 7
C5H5NO 2(1H)-Pyridinone 1.198 2 7
C6H5OH phenol 1.348 1 7
C6H6O 2,4-Cyclohexadienone 1.190 1 7
C6H10O cyclohexanone 1.186 1 7
C6H12O Oxepane 1.395 1 2
    1.396 1 7
C6H5CHO benzaldehyde 1.183 7 8
C6H5OCH3 Anisole 1.343 1 7
    1.395 7 8
C6H5COOH benzoic acid 1.183 7 8
    1.326 7 9