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Compare Calculated Bonds for C-O

17 01 10 14 40

G3B3

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


Values greater than 5.00 are in the 5.00 bin. Values less than 1.00 are in the 1.00 bin.

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histogram chart 50 line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
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1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.338 0.188

  Species Name Bond Length (Å)
Lowest value HCO+ Formyl cation 1.113
Highest value C4H7NO Methacrylamide 4.167

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.237 1 2
CO Carbon monoxide 1.140 1 2
CO+ carbon monoxide cation 1.118 1 2
HCO- formyl anion 1.250 1 3
HCO Formyl radical 1.183 1 3
HCO+ Formyl cation 1.113 1 3
COH Hydroxymethylidyne 1.280 1 2
COH+ Carbon Monoxide, protonated 1.162 1 2
H2CO- formaldehyde anion 1.307 1 2
H2CO+ formaldehyde cation 1.200 1 2
HOCH hydroxycarbene 1.314 1 2
CH3O- methoxy anion 1.310 1 2
CH3O+ Methoxy cation 1.302 1 2
CH2OH Hydroxymethyl radical 1.384 1 2
CH2OH+ hydroxymethyl cation 1.252 1 2
CH3OH- Methyl alcohol anion 1.409 1 2
CH3OH Methyl alcohol 1.416 1 2
CH3OH+ Methyl alcohol cation 1.436 1 2
CH3OH2+ Methanol, protonated 1.518 1 2
CCO Dicarbon monoxide 1.168 2 3
NCO isocyanato radical 1.187 2 3
OCS Carbonyl sulfide 1.165 1 2
OCSe Carbonyl selenide 1.156 1 2
FCO Carbonyl fluoride 1.175 2 3
FCO+ Carbonyl fluoride cation 1.119 2 3
ClCO carbonyl monochloride 1.158 2 3
HNCO Isocyanic acid 1.174 3 4
HOCN cyanic acid 1.302 2 3
HOCO Hydrocarboxyl radical 1.349 1 2
    1.187 1 3
HCOO formate neutral radical 1.203 1 3
    1.328 1 4
HCCO ketenyl radical 1.183 1 3
HFCO+ formyl fluoride cation 1.251 1 2
COHCl Formyl chloride 1.186 1 2
COHBr Formyl bromide 1.183 1 2
HCOOH Formic acid 1.347 1 2
    1.205 1 3
C2H2O Oxirene 1.505 1 2
    1.505 1 3
CH2CO Ketene 1.171 2 3
H2COO Dioxymethyl radical 2.270 2 5
    1.238 1 2
H2COO+ dioxymethyl cation 2.282 2 5
    1.255 1 2
CHONH2 formamide 1.209 1 2
CH3OO- methylperoxy anion 1.373 1 2
CH3OO methylperoxy radical 1.439 1 2
CH3OO+ methylperoxy cation 1.509 1 2
CH3CO- Acetyl anion 1.249 2 3
CH3CO Acetyl radical 1.185 2 3
CH3CO+ acetyl cation 1.124 2 3
CH2CHO Vinyloxy radical 1.242 1 4
CNOH3 1,2-oxaziridine 1.399 1 3
CH2OOH CH2OOH radical 1.368 1 2
HOCHNH hydroxymethylimine 1.344 1 2
BH3CO Borane carbonyl 1.142 2 3
CH2COH+ ketene, protonated 1.232 2 3
NaOCH3 Sodium methoxide 1.370 2 3
CH2FOH fluoromethanol 1.382 1 3
CH3OCl methyl hypochlorite 1.426 1 3
CH3CHO Acetaldehyde 1.211 1 3
CH3CHO+ acetaldehyde cation 1.208 1 3
C2H4O Ethylene oxide 1.430 1 2
    1.430 1 3
C2H4O+ ethylene oxide cation 1.475 1 2
    1.475 1 3
CH2(OH)2 methanediol 1.405 1 2
    1.405 1 3
CH2CHOH ethenol 1.360 2 3
H2CONH2+ protonated formamide 1.289 1 2
NH2CHOH+ Formamide, O-protonated 1.289 1 2
H2COCH2+ Methyl, (methyleneoxoniumyl)- 1.311 1 2
    1.311 1 3
CH3CH2O Ethoxy radical 1.384 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.376 1 3
CH3CHOH+ acetaldehyde, protonated 1.264 1 3
NH2CH2OH aminomethanol 1.429 2 3
CH2CH2OH 2-hydroxy ethyl radical 1.425 1 2
C2H4OH+ ethylene oxide, protonated 1.529 1 3
    1.529 1 4
CH3OCH2 methoxymethyl radical 1.416 1 2
    1.358 1 3
C3O Tricarbon monoxide 1.161 3 4
CF2O Carbonic difluoride 1.180 1 2
CF2O+ Carbonic difluoride cation 1.272 1 2
COFCl Carbonic chloride fluoride 1.180 1 2
COBr2 Carbonic dibromide 1.176 1 2
C2H2O2 Ethanedial 1.210 1 5
    1.210 2 6
C2H2O2+ Ethanedial cation 1.182 1 5
    1.182 2 6
H2CO3 Carbonic acid 1.211 1 2
    1.339 1 3
    1.339 1 4
C3H2O Propadienal 1.178 3 4
HOCH2CN cyanomethanol 1.413 1 3
NH2COOH Carbamic acid 1.215 1 2
    1.359 1 4
CH3NCO methylisocyante 1.182 3 4
H3CO3+ carbonic acid, protonated 1.284 1 2
    1.284 1 3
    1.284 1 4
CH3COF Acetyl fluoride 1.191 1 3
CH3COCl Acetyl Chloride 1.187 1 3
CH2ClCHO chloroacetaldehyde 1.204 2 4
H2OHCOOH Water formic acid dimer 1 1.203 6 7
    1.352 3 6
H2OHCOOH Water formic acid dimer 2 1.338 5 6
    1.210 3 5
NH2CONH2 Urea 1.219 1 2
NH2CONH2+ Urea cation 1.244 1 2
CH2CHCHO Acrolein 1.215 1 4
C3H4O 2-Propyn-1-ol 1.425 1 4
CHOCH2OH hydroxy acetaldehyde 1.397 1 3
    1.210 2 4
C3H4O Cyclopropanone 1.203 1 2
C3H4O Methylketene 1.175 1 4
C3H4O allenol 1.371 1 4
NH3COOH+ protonated Carbamic acid 1.183 1 2
    1.312 1 4
HOCH2OOH hydroxy methyl peroxide 1.385 1 2
    1.429 1 3
C2H4O2 1,3-dioxetane 1.428 1 3
    1.428 1 4
    1.428 2 3
    1.428 2 4
NH2COOH2+ Carbamic acid, O-protonated 1.302 1 2
    1.294 1 4
CH3CONH2 Acetamide 1.221 2 4
HCONHCH3 N-methylformamide 1.222 1 2
CH3COCH2 Acetonyl radical 1.239 1 2
C2H5OO ethylperoxy radical 1.449 2 3
CH5N2O+ urea, N-protonated 1.190 1 2
CH3C(OH)=NH Ethaninidic acid 1.357 1 4
CH2C(OH)NH2 1-amino vinyl alchohol 1.369 1 4
H2NCOHNH2+ urea, protonated 1.311 1 2
CH2FCH2OH 2-fluoroethanol 1.416 1 3
CH2ClCH2OH 2-Chloroethanol 1.421 1 4
CH3COCH3- acetone anion 1.304 1 2
C3H6O Propylene oxide 1.435 1 6
    1.433 1 8
C3H6O 2-Propen-1-ol 1.423 1 4
CH3CH2CHO Propanal 1.211 3 4
C3H6O Oxetane 1.453 1 3
    1.453 1 4
C3H5OH Cyclopropanol 1.401 1 4
C3H6O Acetone enol 1.368 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.548 1 4
HOCH2CH2NH2 monoethanolamine 1.410 3 4
H2OCH3OCH3 water dimethylether dimer 1.413 3 4
    1.411 3 5
C3H7OH 1-Propanol 1.426 3 4
CH3OC2H5 Ethane, methoxy- 1.406 1 2
    1.412 2 3
C3O2 Carbon suboxide 1.170 2 4
    1.170 3 5
BeCO3 Beryllium Carbonate 1.192 1 2
    1.390 1 4
    1.390 1 5
MgCO3 Magnesium Carbonate 1.209 1 2
    1.373 1 4
    1.373 1 5
CaCO3 Calcium Carbonate 1.216 1 2
    1.355 1 4
    1.355 1 5
CF3OH trifluoromethanol 1.354 1 2
CHOCOOH oxo acetic acid 1.209 1 3
    1.204 2 4
    1.334 2 5
C3H2O2 Propiolic acid 1.352 1 4
    1.212 1 5
CHOOCHO diformyl ether 1.193 2 4
    1.193 3 5
    1.377 1 2
    1.377 1 3
CHCl2CHO dichloroacetaldehyde 1.202 2 6
C3H3NO Isoxazole 1.345 3 5
C3H3NO Oxazole 1.358 1 2
    1.371 1 5
CH3NO3 Methyl nitrate 1.438 4 5
CH3C(O)OO acetyl peroxy radical 1.195 2 3
    1.418 2 4
C3H4O2 β–Propiolactone 1.194 2 3
    1.377 1 2
    1.468 1 7
C3H4O2 Methyl glyoxal 1.207 1 4
    1.213 2 5
C3H4O2 2-Propenoic acid 1.359 1 4
    1.215 3 4
HOCH2COOH Hydroxyacetic acid 1.404 1 5
    1.346 2 3
    1.214 2 4
C4H4O Furan 1.364 1 2
    1.364 1 3
C2H4O3 trioxolane124 2.199 2 4
    2.199 3 5
    1.418 1 2
    1.418 1 3
C3H4O2 propanedial 1.208 2 4
    1.208 3 5
CH3COCCH 3-butyn-2-one 1.218 2 3
C2H4O3 1,2,3-trioxolane 1.426 2 4
    1.426 3 5
C3H4O2 propenalol 1.232 2 4
    1.326 3 5
H2NCH2COOH Glycine 1.211 1 2
    1.355 1 3
CH2CHCONH2 Acrylamide 1.224 2 4
CH3OCH2CN Methoxyacetonitrile 1.418 1 2
    1.398 2 3
C3H5ClO Oxirane, (chloromethyl)- 1.432 3 5
    1.436 4 5
CH3CH2COOH Propanoic Acid 1.359 1 4
    1.211 1 5
CH3COOCH3 methyl acetate 1.211 2 3
    1.354 2 4
    1.436 4 5
CH2CHOCHCH2 Vinyl ether 1.365 1 2
    1.372 1 3
HCOOC2H5 Ethyl formate 1.450 2 3
    1.207 4 5
    1.341 3 4
C2H6N2O Urea, methyl- 1.224 7 11
C3H6O2 1,3-Dioxolane 1.411 1 4
    1.423 1 5
    1.425 2 4
    1.428 3 5
C4H6O Furan, 2,3-dihydro- 1.368 4 5
    1.454 5 11
C4H6O Furan, 2,5-dihydro- 1.425 1 2
    1.425 1 5
C4H6O cis-2-butenal 1.215 1 5
C3H7NO dimethylformamide 1.220 1 2
C3H8O2 Propylene glycol 1.420 1 8
    1.432 3 5
CHOCH(CH3)CH3 Propanal, 2-methyl- 1.211 11 13
CH3COCH2CH3 2-Butanone 1.213 2 5
C3H8O2 Methane, dimethoxy- 1.400 1 4
    1.400 1 5
    1.417 4 6
    1.417 5 7
C2H3OC2H5 Ethene, ethoxy- 1.362 4 6
    1.429 6 7
CHOCH2CH2CH3 Butanal 1.212 11 13
C3H8O2 1,3-Propanediol 1.435 2 6
    1.416 3 7
C4H8O Cyclobutanol 1.408 1 5
C3H8O2 Hydroperoxide, 1-methylethyl 1.437 3 12
C4H10O Ethoxy ethane 1.416 1 2
    1.416 1 3
C4H10O 1-Butanol 1.426 1 5
C4H10O Ethanol, 1,1-dimethyl- 1.439 1 15
C4H10O 1-Propanol, 2-methyl- 1.424 2 5
C4H10O Methyl propyl ether 1.409 1 2
    1.415 2 3
C4H10O Propane, 2-methoxy- 1.414 1 5
    1.432 5 14
C4H10O 2-Butanol, (.+/-.)- 1.432 1 6
CF3OF Trifluoromethylhypofluorite 1.393 1 2
ClCOClCO Oxalyl chloride 1.187 1 3
    1.187 2 4
CF3CHO trifluoroacetaldehyde 1.200 2 3
CCl3CHO trichloroacetaldehyde 1.195 2 3
C2H2O4 Oxalic Acid 1.329 1 3
    1.227 1 5
    1.329 2 4
    1.227 2 6
C3H2O3 vinylene carbonate 1.193 1 2
    1.375 1 3
    1.375 1 4
    1.383 3 5
    1.383 4 6
CF3COOH trifluoroacetic acid 1.338 2 3
    1.201 2 4
C2H3NO3 Oxamic acid 1.209 1 4
    1.332 1 5
    1.229 2 3
C4H3ClO Furan, 2-chloro 1.356 1 5
    1.371 4 5
C2H4CO3 Ethylene carbonate 1.189 1 2
    1.376 1 3
    1.376 1 4
    1.426 3 5
    1.426 4 6
C2H4N2O2 Oxalamide 1.226 1 3
    1.226 2 4
C2H5NO3 Nitric acid, ethyl ester 1.452 2 5
C4H5NO Isoxazole, 5-methyl- 1.352 5 6
C4H5NO 3-Methylisoxazole 1.345 5 6
C3H5ClO2 Carbonochloridic acid, ethyl ester 1.455 1 4
    1.325 1 11
    1.189 9 11
C4H6O2 γ–Butyrolactone 1.367 1 5
    1.202 1 6
    1.441 4 5
C4H6O2 Crotonic Acid 1.356 1 5
    1.214 1 6
C3H6O3 1,3,5-Trioxane 1.412 1 4
    1.412 1 5
    1.412 2 4
    1.412 2 6
    1.412 3 5
    1.412 3 6
C5H6O 2H-Pyran 1.358 1 2
    1.445 1 6
C5H6O 2-methylfuran 1.366 1 2
    1.363 1 3
C5H6O Pentadienal 1.218 1 2
C5H6O 3-Methylfuran 1.364 1 2
    1.359 1 3
C2H6O3S Sulfurous acid, dimethyl ester 1.435 3 5
    1.447 4 6
C4H6OS Dihydro-3-(2H)-thiophenone 1.209 1 11
C4H6OS Dihydro-2-(3H)-thiophenone 1.204 10 11
C4H6OS 4,5-dihydrothiophene-3-ol 1.366 3 6
C4H6OS 2,5-dihydrothiophene-3-ol 1.360 3 6
C4H6OS 4,5-dihydrothiophene-2-ol 1.354 2 6
C4H6OS 2,3-dihydrothiophene-2-ol 1.399 2 6
HCONH2CN2H4 formamide aminomethanimine dimer 1.226 4 5
NH2COOC2H5 Urethane 1.436 5 8
    1.210 12 13
    1.361 8 12
C4H7NO Methacrylamide 4.167 3 5
C3H7ONO Propyl nitrite 1.447 3 4
C4H7NO 2-Pyrrolidinone 1.218 2 6
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1.447 2 5
    1.370 5 6
C3H8O3 1,2,3-Propanetriol 1.434 3 12
    1.421 5 14
    1.426 8 10
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.223 1 2
C5H8O 2H-Pyran, 3,4-dihydro- 1.366 2 14
    1.434 13 14
C5H8O Cyclopentanone 1.209 1 2
C4H8O2 1,4-Dioxane 1.424 1 6
    1.424 2 6
    1.424 3 5
    1.424 4 5
C4H8O2 Ethyl acetate 1.353 2 3
    1.212 2 4
    1.445 3 5
C4H8O2 1,3-Dioxolane, 2-methyl- 1.429 5 7
    1.414 5 8
    1.428 7 12
    1.422 8 9
C4H8O2 1,3-Dioxane 1.407 1 2
    1.407 1 3
    1.427 2 4
    1.427 3 5
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.227 2 3
NH2CONHC2H5 Urea, ethyl- 1.224 13 14
C5H8O Methyl cyclopropyl ketone 1.217 1 2
C4H8O2 Ethene, 1,1-dimethoxy- 1.353 2 5
    1.353 2 6
    1.419 5 7
    1.419 6 8
C5H8O Furan, 2,3-dihydro-5-methyl- 1.449 1 4
    1.377 4 14
C4H8OS s-Ethyl thioacetate 1.209 1 2
C4H8O2 Butanoic acid 1.360 1 5
    1.211 1 6
C5H10O 2-methylbutyraldehyde 1.209 1 6
C5H10O 3-Pentanone 1.217 1 2
C5H10O Cyclopentanol 1.423 14 16
C4H10O2 1,3-Butanediol 1.428 1 9
    1.423 3 14
C4H10O2 1,4-Butanediol 1.421 1 3
    1.421 2 4
C5H10O 2H-Pyran, tetrahydro- 1.423 1 7
    1.423 1 8
C4H10O2 1,1-Dimethoxyethane 1.412 1 3
    1.408 1 5
    1.412 2 4
    1.408 2 5
C5H10O 2-Butanone, 3-methyl- 1.217 1 2
C5H10O Oxetane, 3,3-dimethyl- 1.444 10 16
    1.444 11 16
C5H12O 1-Butanol, 3-methyl- 1.427 14 16
C5H12O 1-Butanol, 2-methyl- 1.426 5 7
C5H12O 3-Pentanol 1.427 1 6
C5H12O 2-Butanol, 3-methyl- 1.433 9 11
C5H12O 2-Pentanol 1.432 5 7
CF3COF trifluoroacetyl fluoride 1.184 2 3
CF3COO- trifluoro acetate anion 1.246 2 6
    1.247 2 7
CF3COCl trifluoroacetyl chloride 1.186 2 3
C4H2O3 Maleic Anhydride 1.195 2 4
    1.195 3 5
    1.386 1 2
    1.386 1 3
C5H4O2 4-Cyclopentene-1,3-dione 1.214 2 6
    1.214 3 7
C5H4O2 furfural 1.219 6 7
    1.353 1 2
    1.375 1 4
C5H5NO 3-Pyridinol 1.364 3 7
C5H5NO 2-Pyridinol 1.354 2 7
C5H5NO 4-Pyridinol 1.359 4 7
C6H5O phenoxy radical 1.258 1 7
C5H5NO 3(2H)-Pyridinone 1.222 3 7
C5H5NO 3(6H)-Pyridinone 1.225 3 7
C5H5NO 3(4H)-Pyridinone 1.220 3 7
C5H5NO 2(3H)-Pyridinone 1.213 2 7
C5H5NO 4(3H)-Pryidinone 1.222 4 7
C5H5NO 4(1H)-Pryidinone 1.229 4 7
C5H5NO 2(1H)-Pyridinone 1.227 2 7
C6H5OH phenol 1.369 1 7
C6H6O 2,5-Cyclohexadienone 1.229 1 7
C6H6O 2,4-Cyclohexadienone 1.220 1 7
HO2CCHNH2CH2OH Serine 1.350 1 2
    1.215 1 3
    1.409 5 6
C5H8O2 Acetylacetone 1.216 2 6
    1.216 3 7
C6H10O cyclohexanone 1.216 1 7
C6H12O Oxepane 1.419 1 2
    1.423 1 7
C3H7OC3H7 di-n-propyl ether 1.412 1 2
    1.412 1 3
C4H4N2O2 Uracil 1.217 1 5
    1.216 7 8
C6H4O2 parabenzoquinone 1.225 1 7
    1.225 2 8
C6H5CHO benzaldehyde 1.213 7 8
C6H5OCH3 Anisole 1.363 1 7
    1.414 7 8
C5H9NO2 Proline 1.210 6 7
    1.354 6 8
C6H12O2 Hexanoic acid 1.354 6 7
    1.210 6 8
C6H12O2 Methyl pivalate 1.356 3 6
    1.213 3 7
    1.436 6 8
C3H3N3O3 cyanuric acid 1.212 1 7
    1.212 2 8
    1.212 3 9
CH3COC6H5 acetophenone 1.218 2 4
C8H18O 1-Octanol 1.424 8 9
C6H12O6 Inositol 1.408 1 7
    1.408 2 8
    1.408 3 9
    1.408 4 10
    1.408 5 11
    1.408 6 12