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Compare Calculated Bonds for C-O

17 01 10 14 40

MP2=FULL/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
1.301 0.140

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.090
Highest value H2COO+ dioxymethyl cation 2.228

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 1.135 1 2
CO+ carbon monoxide cation 1.090 1 2
HCO- formyl anion 1.241 1 3
HCO Formyl radical 1.179 1 3
HCO+ Formyl cation 1.115 1 3
COH+ Carbon Monoxide, protonated 1.154 1 2
H2CO- formaldehyde anion 1.271 1 2
H2CO Formaldehyde 1.209 1 2
H2CO+ formaldehyde cation 1.190 1 2
HOCH hydroxycarbene 1.307 1 2
CH3O- methoxy anion 1.346 1 2
CH3O+ Methoxy cation 1.288 1 2
CH2OH Hydroxymethyl radical 1.362 1 2
CH2OH+ hydroxymethyl cation 1.245 1 2
CH3OH- Methyl alcohol anion 1.418 1 2
CH3OH Methyl alcohol 1.413 1 2
CH3OH+ Methyl alcohol cation 1.293 1 2
CH3OH2+ Methanol, protonated 1.503 1 2
CO2- Carbon dioxide anion 1.231 1 2
    1.231 1 3
CO2 Carbon dioxide 1.166 1 2
    1.166 1 3
CO2+ Carbon dioxide cation 1.161 1 2
    1.161 1 3
CCO Dicarbon monoxide 1.159 2 3
NCO isocyanato radical 1.155 2 3
OCS Carbonyl sulfide 1.164 1 2
OCS+ Carbonyl sulfide cation 1.101 1 2
OCSe Carbonyl selenide 1.164 1 2
FCO Carbonyl fluoride 1.168 2 3
FCO+ Carbonyl fluoride cation 1.126 2 3
ClCO carbonyl monochloride 1.162 2 3
HOCO Hydrocarboxyl radical 1.338 1 2
    1.179 1 3
HOCO+ Hydrocarboxyl cation 1.221 1 2
    1.132 1 3
HCOO formate neutral radical 1.200 1 3
    1.323 1 4
HCCO ketenyl radical 1.160 1 3
HFCO formyl fluoride 1.181 1 2
HFCO+ formyl fluoride cation 1.243 1 2
COHCl Formyl chloride 1.183 1 2
COHBr Formyl bromide 1.181 1 2
HCOOH Formic acid 1.342 1 2
    1.201 1 3
C2H2O Oxirene 1.497 1 2
    1.497 1 3
CH2O2 Dioxirane 1.378 1 4
    1.378 1 5
CH2CO Ketene 1.164 2 3
CH2CO+ Ketene cation 1.117 2 3
H2COO Dioxymethyl radical 2.227 2 5
    1.280 1 2
H2COO+ dioxymethyl cation 2.228 2 5
    1.248 1 2
CHONH2 formamide 1.210 1 2
CH3OO- methylperoxy anion 1.374 1 2
CH3OO+ methylperoxy cation 1.505 1 2
CH3CO- Acetyl anion 1.190 2 3
CH3CO+ acetyl cation 1.123 2 3
CNOH3 1,2-oxaziridine 1.397 1 3
CH2OOH CH2OOH radical 1.355 1 2
HOCHNH hydroxymethylimine 1.341 1 2
BH3CO Borane carbonyl 1.133 2 3
CH2COH+ ketene, protonated 1.221 2 3
NaOCH3 Sodium methoxide 1.374 2 3
CH2FOH fluoromethanol 1.375 1 3
CH3CHO Acetaldehyde 1.211 1 3
CH3CHO+ acetaldehyde cation 1.199 1 3
C2H4O Ethylene oxide 1.429 1 2
    1.429 1 3
C2H4O+ ethylene oxide cation 1.471 1 2
    1.471 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 1.282 1 2
CH3CH2O Ethoxy radical 1.368 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.371 1 3
CH3CHOH+ acetaldehyde, protonated 1.260 1 3
NH2CH2OH aminomethanol 1.425 2 3
CH2CH2OH 2-hydroxy ethyl radical 1.421 1 2
CH3OCH2 methoxymethyl radical 1.414 1 2
    1.350 1 3
CH3CH2OH Ethanol 1.423 2 3
CH3OCH3 Dimethyl ether 1.407 1 2
    1.407 1 3
C3O Tricarbon monoxide 1.154 3 4
CF2O Carbonic difluoride 1.174 1 2
CF2O+ Carbonic difluoride cation 1.267 1 2
CCl2O Phosgene 1.178 1 2
COFCl Carbonic chloride fluoride 1.176 1 2
COBr2 Carbonic dibromide 1.175 1 2
HCO3- bicarbonate anion 1.425 1 2
    1.235 1 4
    1.251 1 5
C2H2O2 Ethanedial 1.210 1 5
    1.210 2 6
H2CO3 Carbonic acid 1.204 1 2
    1.334 1 3
    1.334 1 4
C3H2O Propadienal 1.170 3 4
HOCH2CN cyanomethanol 1.410 1 3
NH2COOH Carbamic acid 1.209 1 2
    1.355 1 4
CH3NCO methylisocyante 1.178 3 4
CH3ONO Methyl nitrite 1.431 1 2
H3CO3+ carbonic acid, protonated 1.276 1 2
    1.276 1 3
    1.276 1 4
CH3COF Acetyl fluoride 1.185 1 3
CH3COCl Acetyl Chloride 1.184 1 3
NH2CONH2 Urea 1.212 1 2
CH3COOH Acetic acid 1.213 2 3
    1.342 2 7
CH2CHCHO Acrolein 1.214 1 4
CH3OCHO methyl formate 1.427 1 2
    1.202 3 4
    1.330 2 3
CHOCH2OH hydroxy acetaldehyde 1.394 1 3
    1.205 2 4
C3H4O Cyclopropanone 1.273 1 2
NH3COOH+ protonated Carbamic acid 1.179 1 2
    1.307 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.293 1 2
    1.287 1 4
CH3CONH2 Acetamide 1.213 2 4
HCONHCH3 N-methylformamide 1.218 1 2
CH3COCH2 Acetonyl radical 1.196 1 2
CH5N2O+ urea, N-protonated 1.186 1 2
CH3C(OH)=NH Ethaninidic acid 1.349 1 4
H2NCOHNH2+ urea, protonated 1.304 1 2
CH2FCH2OH 2-fluoroethanol 1.413 1 3
CH2ClCH2OH 2-Chloroethanol 1.419 1 4
CH3COCH3- acetone anion 1.271 1 2
CH3COCH3 Acetone 1.215 1 2
C3H6O Propylene oxide 1.432 1 6
    1.433 1 8
C3H6O 2-Propen-1-ol 2.074 1 4
CH3CH2CHO Propanal 1.214 3 4
C3H6O Oxetane 1.446 1 3
    1.446 1 4
C3H5OH Cyclopropanol 1.398 1 4
C3H6O Acetone enol 1.365 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.528 1 4
HOCH2CH2NH2 monoethanolamine 1.411 3 4
CH3CHOHCH3 Isopropyl alcohol 1.420 1 4
C3H7OH 1-Propanol 1.424 3 4
C3O2 Carbon suboxide 1.166 2 4
    1.166 3 5
C3O2+ Carbon suboxide cation 1.109 2 4
    1.109 3 5
BeCO3 Beryllium Carbonate 1.185 1 2
    1.393 1 4
    1.393 1 5
MgCO3 Magnesium Carbonate 1.203 1 2
    1.370 1 4
    1.370 1 5
CF3OH trifluoromethanol 1.341 1 2
C3H2O2 Propiolic acid 1.344 1 4
    1.206 1 5
CHOOCHO diformyl ether 1.190 2 4
    1.190 3 5
    1.371 1 2
    1.371 1 3
CHCl2CHO dichloroacetaldehyde 1.201 2 6
C3H3NO Isoxazole 1.341 3 5
C3H3NO Oxazole 1.351 1 2
    1.362 1 5
C3H4O2 Methyl glyoxal 1.210 1 4
    1.216 2 5
HOCH2COOH Hydroxyacetic acid 1.397 1 5
    1.339 2 3
    1.208 2 4
CH3COCCH 3-butyn-2-one 1.217 2 3
C2H4O3 1,2,3-trioxolane 1.418 2 4
    1.418 3 5
HOCHCCHOH allenediol 1.364 2 4
    1.364 3 5
CH3OCH2CN Methoxyacetonitrile 1.417 1 2
    1.400 2 3
CH3CH2COOH Propanoic Acid 1.352 1 4
    1.206 1 5
HCOOC2H5 Ethyl formate 1.441 2 3
    1.204 4 5
    1.335 3 4
C4H10O 1-Butanol 1.421 1 5
C4H10O 1-Propanol, 2-methyl- 1.414 2 5
C4H10O Methyl propyl ether 1.407 1 2
    1.409 2 3
Na2CO3 Sodium Carbonate 1.346 1 2
    1.271 1 3
    1.271 1 4
CF3OF Trifluoromethylhypofluorite 1.384 1 2
ClCOClCO Oxalyl chloride 1.188 1 3
    1.188 2 4
C2H2O4 Oxalic Acid 1.320 1 3
    1.206 1 5
    1.320 2 4
    1.206 2 6
C3H2O3 vinylene carbonate 1.188 1 2
    1.364 1 3
    1.364 1 4
    1.374 3 5
    1.374 4 6
C2H4CO3 Ethylene carbonate 1.182 1 2
    1.390 1 3
    1.390 1 4
    1.390 3 5
    1.390 4 6
C2H4O4 Formic acid dimer 1.220 1 3
    1.308 1 5
    1.220 2 4
    1.308 2 6
C4H6O2 γ–Butyrolactone 1.360 1 5
    1.198 1 6
    1.435 4 5
C3H6O3 1,3,5-Trioxane 1.403 1 4
    1.403 1 5
    1.403 2 4
    1.403 2 6
    1.403 3 5
    1.403 3 6
C5H6O Pentadienal 1.217 1 2
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.220 1 2
C5H8O Cyclopentanone 1.210 1 2
C4H8O2 Ethyl acetate 1.345 2 3
    1.208 2 4
    1.437 3 5
C4H8O2 Butanoic acid 1.353 1 5
    1.207 1 6
C5H10O 2-methylbutyraldehyde 1.211 1 6
C5H10O 3-Pentanone 1.216 1 2
CF3COO- trifluoro acetate anion 1.243 2 6
    1.244 2 7
C5H4O2 furfural 1.217 6 7
    1.348 1 2
    1.359 1 4
C6H6O 2,5-Cyclohexadienone 1.228 1 7
C6H12O Oxepane 1.414 1 2
    1.417 1 7
C6H5CHO benzaldehyde 1.214 7 8
C5H9NO2 Proline 1.204 6 7
    1.347 6 8
C6H12O2 Hexanoic acid 1.353 6 7
    1.206 6 8
C6H12O2 Methyl pivalate 1.346 3 6
    1.209 3 7
    1.428 6 8
C3H3N3O3 cyanuric acid 1.208 1 7
    1.208 2 8
    1.208 3 9