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Compare Calculated Bonds for C-O

17 01 10 14 40

MP4/aug-cc-pVDZ

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


Values greater than 2.30 are in the 2.30 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.333 0.154

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.109
Highest value H2COO Dioxymethyl radical 2.267

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.198 1 2
CO Carbon monoxide 1.158 1 2
CO+ carbon monoxide cation 1.109 1 2
HCO- formyl anion 1.263 1 3
COH+ Carbon Monoxide, protonated 1.182 1 2
H2CO- formaldehyde anion 1.303 1 2
H2CO Formaldehyde 1.227 1 2
H2CO+ formaldehyde cation 1.213 1 2
HOCH hydroxycarbene 1.336 1 2
CH3O- methoxy anion 1.365 1 2
CH3O+ Methoxy cation 1.322 1 2
CH2OH Hydroxymethyl radical 1.385 1 2
CH2OH+ hydroxymethyl cation 1.266 1 2
CH3OH- Methyl alcohol anion 1.441 1 2
CH3OH Methyl alcohol 1.439 1 2
CH3OH+ Methyl alcohol cation 1.398 1 2
CO2 Carbon dioxide 1.187 1 2
    1.187 1 3
CO2+ Carbon dioxide cation 1.248 1 2
    1.135 1 3
CCO Dicarbon monoxide 1.178 2 3
NCO isocyanato radical 1.178 2 3
OCS Carbonyl sulfide 1.188 1 2
OCSe Carbonyl selenide 1.189 1 2
FCO Carbonyl fluoride 1.186 2 3
FCO+ Carbonyl fluoride cation 1.148 2 3
ClCO carbonyl monochloride 1.180 2 3
HCOO formate neutral radical 1.220 1 3
    1.347 1 4
HCCO ketenyl radical 1.181 1 3
HFCO+ formyl fluoride cation 1.263 1 2
HCOOH Formic acid 1.365 1 2
    1.220 1 3
C2H2O Oxirene 1.533 1 2
    1.533 1 3
CH2CO Ketene 1.187 2 3
H2COO Dioxymethyl radical 2.267 2 5
    1.314 1 2
H2COO+ dioxymethyl cation 2.261 2 5
    1.270 1 2
CHONH2 formamide 1.233 1 2
CNOH3 1,2-oxaziridine 1.421 1 3
HOCHNH hydroxymethylimine 1.364 1 2
BH3CO Borane carbonyl 1.155 2 3
CH2COH+ ketene, protonated 1.244 2 3
NaOCH3 Sodium methoxide 1.394 2 3
CH2FOH fluoromethanol 1.393 1 3
CH3CHO Acetaldehyde 1.230 1 3
CH3CHO+ acetaldehyde cation 1.221 1 3
C2H4O Ethylene oxide 1.460 1 2
    1.460 1 3
C2H4O+ ethylene oxide cation 1.521 1 2
    1.521 1 3
CH2(OH)2 methanediol 1.422 1 2
    1.422 1 3
H2CONH2+ protonated formamide 1.304 1 2
NH2CHOH+ Formamide, O-protonated 1.304 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.394 1 3
CH3CHOH+ acetaldehyde, protonated 1.281 1 3
C3O Tricarbon monoxide 1.182 3 4
CF2O+ Carbonic difluoride cation 1.286 1 2
C3H2O Propadienal 1.192 3 4
HOCH2CN cyanomethanol 1.428 1 3
NH2COOH Carbamic acid 1.227 1 2
    1.378 1 4
CH3NCO methylisocyante 1.198 3 4
NH2CONH2 Urea 1.234 1 2
NH3COOH+ protonated Carbamic acid 1.197 1 2
    1.330 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.315 1 2
    1.308 1 4
HCONHCH3 N-methylformamide 1.238 1 2
CH3COCH2 Acetonyl radical 1.219 1 2
CH5N2O+ urea, N-protonated 1.205 1 2
CH3C(OH)=NH Ethaninidic acid 1.373 1 4
H2NCOHNH2+ urea, protonated 1.326 1 2
CH2FCH2OH 2-fluoroethanol 1.433 1 3
CH2ClCH2OH 2-Chloroethanol 1.441 1 4
C3H6O 2-Propen-1-ol 1.447 1 4
CH3CH2CHO Propanal 1.230 3 4
C3H6O Oxetane 1.471 1 3
    1.471 1 4
C3H5OH Cyclopropanol 1.420 1 4
C3H6O Acetone enol 1.389 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.571 1 4
HOCH2CH2NH2 monoethanolamine 1.433 3 4
CH3OC2H5 Ethane, methoxy- 1.429 1 2
    1.434 2 3
C3O2 Carbon suboxide 1.193 2 4
    1.193 3 5
BeCO3 Beryllium Carbonate 1.205 1 2
    1.420 1 4
    1.420 1 5
MgCO3 Magnesium Carbonate 1.222 1 2
    1.397 1 4
    1.397 1 5
CF3OH trifluoromethanol 1.358 1 2
C3H2O2 Propiolic acid 1.367 1 4
    1.225 1 5
CHOOCHO diformyl ether 1.208 2 4
    1.208 3 5
    1.398 1 2
    1.398 1 3
C3H3NO Oxazole 1.376 1 2
    1.388 1 5
C3H4O2 Methyl glyoxal 1.229 1 4
    1.235 2 5
CH3COCCH 3-butyn-2-one 1.235 2 3
C2H4O3 1,2,3-trioxolane 1.443 2 4
    1.443 3 5
C4H10O 1-Butanol 1.445 1 5
C4H10O Methyl propyl ether 1.429 1 2
    1.432 2 3
Na2CO3 Sodium Carbonate 1.375 1 2
    1.295 1 3
    1.295 1 4
CF3OF Trifluoromethylhypofluorite 1.404 1 2
C3H2O3 vinylene carbonate 1.207 1 2
    1.389 1 3
    1.389 1 4
    1.399 3 5
    1.399 4 6
C4H3ClO Furan, 2-chloro 1.373 1 5
    1.390 4 5
C3H6O3 1,3,5-Trioxane 1.425 1 4
    1.425 1 5
    1.425 2 4
    1.425 2 6
    1.425 3 5
    1.425 3 6
C5H6O Pentadienal 1.236 1 2
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.239 1 2
C4H8O2 Ethyl acetate 1.370 2 3
    1.227 2 4
    1.462 3 5
C5H8O Methyl cyclopropyl ketone 1.239 1 2
C5H10O 3-Pentanone 1.236 1 2
CF3COO- trifluoro acetate anion 1.264 2 6
    1.265 2 7
C6H6O 2,5-Cyclohexadienone 1.246 1 7