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Compare Calculated Bonds for C-O

17 01 10 14 40

CCD/3-21G*

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


Values greater than 2.60 are in the 2.60 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.353 0.157

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.113
Highest value H2COO+ dioxymethyl cation 2.344

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.267 1 2
CO Carbon monoxide 1.154 1 2
CO+ carbon monoxide cation 1.113 1 2
HCO- formyl anion 1.265 1 3
HCO Formyl radical 1.191 1 3
HCO+ Formyl cation 1.128 1 3
COH+ Carbon Monoxide, protonated 1.185 1 2
H2CO- formaldehyde anion 1.341 1 2
H2CO Formaldehyde 1.240 1 2
H2CO+ formaldehyde cation 1.238 1 2
HOCH hydroxycarbene 1.356 1 2
CH3O- methoxy anion 1.352 1 2
CH3O+ Methoxy cation 1.488 1 2
CH2OH Hydroxymethyl radical 1.411 1 2
CH2OH+ hydroxymethyl cation 1.271 1 2
CH3OH- Methyl alcohol anion 1.395 1 2
CH3OH Methyl alcohol 1.469 1 2
CH3OH+ Methyl alcohol cation 1.535 1 2
CH3OH2+ Methanol, protonated 1.544 1 2
CO2- Carbon dioxide anion 1.272 1 2
    1.272 1 3
CO2 Carbon dioxide 1.181 1 2
    1.181 1 3
CO2+ Carbon dioxide cation 1.254 1 2
    1.143 1 3
CCO Dicarbon monoxide 1.183 2 3
NCO- cyanate 1.260 2 3
NCO isocyanato radical 1.199 2 3
OCS Carbonyl sulfide 1.174 1 2
OCS+ Carbonyl sulfide cation 1.128 1 2
OCSe Carbonyl selenide 1.171 1 2
FCO Carbonyl fluoride 1.183 2 3
FCO+ Carbonyl fluoride cation 1.133 2 3
ClCO carbonyl monochloride 1.151 2 3
HNCO Isocyanic acid 1.195 3 4
HOCN cyanic acid 1.342 2 3
HOCO Hydrocarboxyl radical 1.390 1 2
    1.199 1 3
HOCO+ Hydrocarboxyl cation 1.242 1 2
    1.143 1 3
HCOO formate neutral radical 1.215 1 3
    1.392 1 4
HCO2- formate anion 1.273 1 3
    1.273 1 4
HCCO ketenyl radical 1.206 1 3
HFCO formyl fluoride 1.206 1 2
HFCO+ formyl fluoride cation 1.278 1 2
COHCl Formyl chloride 1.210 1 2
COHBr Formyl bromide 1.210 1 2
HCOOH Formic acid 1.383 1 2
    1.222 1 3
C2H2O Oxirene 1.593 1 2
    1.593 1 3
CH2O2 Dioxirane 1.469 1 4
    1.469 1 5
CH2CO Ketene 1.189 2 3
H2COO Dioxymethyl radical 2.335 2 5
    1.262 1 2
H2COO+ dioxymethyl cation 2.344 2 5
    1.274 1 2
CHONH2 formamide 1.237 1 2
CH3OO- methylperoxy anion 1.431 1 2
CH3OO methylperoxy radical 1.492 1 2
CH3OO+ methylperoxy cation 1.621 1 2
CH3CO Acetyl radical 1.200 2 3
CH3CO+ acetyl cation 1.136 2 3
CH2CHO Vinyloxy radical 1.270 1 4
CNOH3 1,2-oxaziridine 1.484 1 3
HOCHNH hydroxymethylimine 1.390 1 2
BH3CO Borane carbonyl 1.147 2 3
CH2COH+ ketene, protonated 1.244 2 3
NaOCH3 Sodium methoxide 1.423 2 3
CH2FOH fluoromethanol 1.424 1 3
CH3OCl methyl hypochlorite 1.489 1 3
CH3CHO Acetaldehyde 1.238 1 3
CH3CHO+ acetaldehyde cation 1.245 1 3
C2H4O Ethylene oxide 1.509 1 2
    1.509 1 3
C2H4O+ ethylene oxide cation 1.612 1 2
    1.612 1 3
CH2(OH)2 methanediol 1.446 1 2
    1.446 1 3
CH2CHOH ethenol 1.406 2 3
CH3OOH Methyl peroxide 1.471 1 2
H2CONH2+ protonated formamide 1.318 1 2
NH2CHOH+ Formamide, O-protonated 1.318 1 2
CH3CH2O Ethoxy radical 1.464 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.418 1 3
CH3CHOH+ acetaldehyde, protonated 1.284 1 3
NH2CH2OH aminomethanol 1.472 2 3
CH2CH2OH 2-hydroxy ethyl radical 1.464 1 2
CH3OCH2 methoxymethyl radical 1.470 1 2
    1.404 1 3
CH3CH2OH Ethanol 1.471 2 3
C3O Tricarbon monoxide 1.171 3 4
CO3-- carbonate 1.333 1 2
    1.333 1 3
    1.333 1 4
CF2O Carbonic difluoride 1.193 1 2
CF2O+ Carbonic difluoride cation 1.303 1 2
COFCl Carbonic chloride fluoride 1.197 1 2
COBr2 Carbonic dibromide 1.200 1 2
HCO3- bicarbonate anion 1.495 1 2
    1.253 1 4
    1.269 1 5
C2H2O2 Ethanedial 1.239 1 5
    1.239 2 6
H2CO3 Carbonic acid 1.222 1 2
    1.371 1 3
    1.371 1 4
C3H2O Propadienal 1.200 3 4
CH3COO- acetate anion 1.273 2 6
    1.272 2 7
HOCH2CN cyanomethanol 1.465 1 3
NH2COOH Carbamic acid 1.229 1 2
    1.399 1 4
CH3NCO methylisocyante 1.201 3 4
H3CO3+ carbonic acid, protonated 1.302 1 2
    1.302 1 3
    1.302 1 4
CH2ClCHO chloroacetaldehyde 1.233 2 4
NH2CONH2 Urea 1.238 1 2
CH2CHCHO Acrolein 1.240 1 4
CHOCH2OH hydroxy acetaldehyde 1.456 1 3
    1.241 2 4
C3H4O allenol 1.420 1 4
NH3COOH+ protonated Carbamic acid 1.198 1 2
    1.341 1 4
C2H4O2 1,3-dioxetane 1.495 1 3
    1.495 1 4
    1.495 2 3
    1.495 2 4
NH2COOH2+ Carbamic acid, O-protonated 1.327 1 2
    1.320 1 4
HCONHCH3 N-methylformamide 1.241 1 2
CH3COCH2 Acetonyl radical 1.250 1 2
C2H5OO ethylperoxy radical 1.497 2 3
CH5N2O+ urea, N-protonated 1.204 1 2
CH3C(OH)=NH Ethaninidic acid 1.398 1 4
H2NCOHNH2+ urea, protonated 1.344 1 2
CH2FCH2OH 2-fluoroethanol 1.467 1 3
CH2ClCH2OH 2-Chloroethanol 1.468 1 4
CH3COCH3- acetone anion 1.335 1 2
C3H6O 2-Propen-1-ol 1.474 1 4
CH3CH2CHO Propanal 1.239 3 4
C3H6O Oxetane 1.514 1 3
    1.514 1 4
CH3OOCH3 dimethylperoxide 1.475 1 3
    1.475 2 4
C3H5OH Cyclopropanol 1.444 1 4
C3H6O Acetone enol 1.411 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.559 1 4
HOCH2CH2NH2 monoethanolamine 1.460 3 4
C3H7OH 1-Propanol 1.472 3 4
CH3OC2H5 Ethane, methoxy- 1.463 1 2
    1.466 2 3
C3O2 Carbon suboxide 1.185 2 4
    1.185 3 5
BeCO3 Beryllium Carbonate 1.198 1 2
    1.459 1 4
    1.459 1 5
MgCO3 Magnesium Carbonate 1.213 1 2
    1.435 1 4
    1.435 1 5
CF3OH trifluoromethanol 1.371 1 2
CHOCOOH oxo acetic acid 1.241 1 3
    1.222 2 4
    1.374 2 5
C3H2O2 Propiolic acid 1.383 1 4
    1.225 1 5
CHOOCHO diformyl ether 1.213 2 4
    1.213 3 5
    1.406 1 2
    1.406 1 3
CHCl2CHO dichloroacetaldehyde 1.232 2 6
C3H3NO Isoxazole 1.404 3 5
C3H3NO Oxazole 1.395 1 2
    1.410 1 5
C3H4O2 Methyl glyoxal 1.239 1 4
    1.240 2 5
HOCH2COOH Hydroxyacetic acid 1.455 1 5
    1.375 2 3
    1.228 2 4
C2H4O3 trioxolane124 2.275 2 4
    2.275 3 5
    1.467 1 2
    1.467 1 3
C3H4O2 propanedial 1.238 2 4
    1.240 3 5
CH3COCCH 3-butyn-2-one 1.241 2 3
C2H4O3 1,2,3-trioxolane 1.459 2 4
    1.459 3 5
C3H4O2 propenalol 1.257 2 4
    1.374 3 5
HOCHCCHOH allenediol 1.414 2 4
    1.414 3 5
H2NCH2COOH Glycine 1.226 1 2
    1.387 1 3
CH3OCH2CN Methoxyacetonitrile 1.473 1 2
    1.459 2 3
CH3CH2COOH Propanoic Acid 1.390 1 4
    1.226 1 5
CH3COOCH3 methyl acetate 1.226 2 3
    1.389 2 4
    1.479 4 5
CH2CHOCHCH2 Vinyl ether 1.413 1 2
    1.420 1 3
HCOOC2H5 Ethyl formate 1.488 2 3
    1.225 4 5
    1.377 3 4
C3H6O2 1,3-Dioxolane 1.469 1 4
    1.469 1 5
    1.480 2 4
    1.480 3 5
C4H6O Furan, 2,5-dihydro- 1.484 1 2
    1.484 1 5
C4H6O cis-2-butenal 1.242 1 5
C3H7NO dimethylformamide 1.240 1 2
CH3COCH2CH3 2-Butanone 1.240 2 5
C3H8O2 1,3-Propanediol 1.480 2 6
    1.462 3 7
C4H8O Cyclobutanol 1.444 1 5
C4H10O 1-Butanol 1.470 1 5
C4H10O 1-Propanol, 2-methyl- 1.471 2 5
C4H10O Methyl propyl ether 1.463 1 2
    1.464 2 3
Na2CO3 Sodium Carbonate 1.417 1 2
    1.299 1 3
    1.299 1 4
CF3OF Trifluoromethylhypofluorite 1.425 1 2
ClCOClCO Oxalyl chloride 1.212 1 3
    1.212 2 4
CF3CHO trifluoroacetaldehyde 1.233 2 3
CCl3CHO trichloroacetaldehyde 1.226 2 3
C2H2O4 Oxalic Acid 1.359 1 3
    1.226 1 5
    1.359 2 4
    1.226 2 6
C3H2O3 vinylene carbonate 1.202 1 2
    1.416 1 3
    1.416 1 4
    1.432 3 5
    1.432 4 6
CF3COOH trifluoroacetic acid 1.370 2 3
    1.219 2 4
C2H3NO3 Oxamic acid 1.225 1 4
    1.364 1 5
    1.246 2 3
C4H3ClO Furan, 2-chloro 1.402 1 5
    1.418 4 5
C2H5NO3 Nitric acid, ethyl ester 1.493 2 5
C4H6O2 γ–Butyrolactone 1.408 1 5
    1.216 1 6
    1.483 4 5
C4H6O2 Crotonic Acid 1.392 1 5
    1.227 1 6
C3H6O3 1,3,5-Trioxane 1.456 1 4
    1.456 1 5
    1.456 2 4
    1.456 2 6
    1.456 3 5
    1.456 3 6
C4H6O2 2,3-Butanedione 1.241 1 5
    1.241 2 6
C5H6O 2-methylfuran 1.414 1 2
    1.413 1 3
C5H6O Pentadienal 1.240 1 2
C5H6O 3-Methylfuran 1.413 1 2
    1.411 1 3
C3H7ONO Propyl nitrite 1.474 3 4
C4H7NO 2-Pyrrolidinone 1.235 2 6
C4H7NO Ethoxyacetonitrile 1.473 2 3
    1.463 3 4
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.247 1 2
C5H8O Cyclopentanone 1.233 1 2
C4H8O2 Ethyl acetate 1.388 2 3
    1.226 2 4
    1.484 3 5
C4H8O2 1,3-Dioxane 1.450 1 2
    1.450 1 3
    1.476 2 4
    1.476 3 5
C5H8O Methyl cyclopropyl ketone 1.241 1 2
C4H8O2 Butanoic acid 1.395 1 5
    1.225 1 6
C5H10O 2-methylbutyraldehyde 1.238 1 6
C5H10O 3-Pentanone 1.240 1 2
C5H10O Pentanal 1.239 1 6
CF3COF trifluoroacetyl fluoride 1.203 2 3
CF3COO- trifluoro acetate anion 1.262 2 6
    1.265 2 7
C5H4O2 4-Cyclopentene-1,3-dione 1.234 2 6
    1.234 3 7
C5H4O2 furfural 1.241 6 7
    1.411 1 2
    1.404 1 4
C6H5O phenoxy radical 1.294 1 7
C6H6O 2,5-Cyclohexadienone 1.245 1 7
HO2CCHNH2CH2OH Serine 1.373 1 2
    1.229 1 3
    1.445 5 6
C5H8O2 Acetylacetone 1.239 2 6
    1.239 3 7
C6H10O cyclohexanone 1.240 1 7
C6H12O Oxepane 1.464 1 2
    1.473 1 7
C3H7OC3H7 di-n-propyl ether 1.466 1 2
    1.466 1 3
C6H4O2 parabenzoquinone 1.246 1 7
    1.246 2 8
C6H5CHO benzaldehyde 1.240 7 8
C5H9NO2 Proline 1.224 6 7
    1.379 6 8
C3H3N3O3 cyanuric acid 1.229 1 7
    1.229 2 8
    1.229 3 9
C6H5COOH benzoic acid 1.227 7 8
    1.388 7 9
CH3COC6H5 acetophenone 1.242 2 4
C6H12O6 Inositol 1.455 1 7
    1.455 2 8
    1.455 3 9
    1.455 4 10
    1.455 5 11
    1.455 6 12