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Compare Calculated Bonds for C-O

17 01 10 14 40

MP4=FULL/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
1.321 0.142

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.107
Highest value H2COO+ dioxymethyl cation 2.263

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.252 1 2
CO Carbon monoxide 1.155 1 2
CO+ carbon monoxide cation 1.107 1 2
HCO- formyl anion 1.236 1 3
COH+ Carbon Monoxide, protonated 1.179 1 2
H2CO- formaldehyde anion 1.303 1 2
H2CO Formaldehyde 1.218 1 2
H2CO+ formaldehyde cation 1.208 1 2
HOCH hydroxycarbene 1.327 1 2
CH3O- methoxy anion 1.308 1 2
CH3O+ Methoxy cation 1.318 1 2
CH2OH Hydroxymethyl radical 1.373 1 2
CH2OH+ hydroxymethyl cation 1.259 1 2
CH3OH- Methyl alcohol anion 1.347 1 2
CH3OH Methyl alcohol 1.419 1 2
CH3OH+ Methyl alcohol cation 1.391 1 2
CO2 Carbon dioxide 1.183 1 2
    1.183 1 3
CO2+ Carbon dioxide cation 1.236 1 2
    1.136 1 3
CCO Dicarbon monoxide 1.174 2 3
NCO isocyanato radical 1.175 2 3
OCS Carbonyl sulfide 1.185 1 2
OCSe Carbonyl selenide 1.184 1 2
FCO Carbonyl fluoride 1.184 2 3
FCO+ Carbonyl fluoride cation 1.144 2 3
ClCO carbonyl monochloride 1.176 2 3
HCOO formate neutral radical 1.212 1 3
    1.338 1 4
HCCO ketenyl radical 1.177 1 3
HFCO+ formyl fluoride cation 1.257 1 2
HCOOH Formic acid 1.355 1 2
    1.213 1 3
C2H2O Oxirene 1.520 1 2
    1.520 1 3
CH2CO Ketene 1.184 2 3
H2COO Dioxymethyl radical 2.261 2 5
    1.321 1 2
H2COO+ dioxymethyl cation 2.263 2 5
    1.264 1 2
CHONH2 formamide 1.222 1 2
CNOH3 1,2-oxaziridine 1.403 1 3
HOCHNH hydroxymethylimine 1.354 1 2
BH3CO Borane carbonyl 1.151 2 3
CH2COH+ ketene, protonated 1.239 2 3
NaOCH3 Sodium methoxide 1.379 2 3
CH2FOH fluoromethanol 1.383 1 3
CH3CHO Acetaldehyde 1.221 1 3
CH3CHO+ acetaldehyde cation 1.216 1 3
C2H4O Ethylene oxide 1.438 1 2
    1.438 1 3
C2H4O+ ethylene oxide cation 1.500 1 2
    1.500 1 3
CH2(OH)2 methanediol 1.407 1 2
    1.407 1 3
H2CONH2+ protonated formamide 1.294 1 2
NH2CHOH+ Formamide, O-protonated 1.295 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.382 1 3
CH3CHOH+ acetaldehyde, protonated 1.273 1 3
C3O Tricarbon monoxide 1.179 3 4
CF2O+ Carbonic difluoride cation 1.279 1 2
C3H2O Propadienal 1.188 3 4
HOCH2CN cyanomethanol 1.413 1 3
NH2COOH Carbamic acid 1.219 1 2
    1.368 1 4
CH3NCO methylisocyante 1.193 3 4
NH2CONH2 Urea 1.224 1 2
NH3COOH+ protonated Carbamic acid 1.191 1 2
    1.321 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.307 1 2
    1.300 1 4
HCONHCH3 N-methylformamide 1.225 1 2
CH3COCH2 Acetonyl radical 1.211 1 2
CH5N2O+ urea, N-protonated 1.197 1 2
CH3C(OH)=NH Ethaninidic acid 1.363 1 4
H2NCOHNH2+ urea, protonated 1.317 1 2
CH2FCH2OH 2-fluoroethanol 1.418 1 3
CH2ClCH2OH 2-Chloroethanol 1.422 1 4
CH3COCH3- acetone anion 1.304 1 2
CH3CH2CHO Propanal 1.222 3 4
C3H5OH Cyclopropanol 1.405 1 4
C3H6O Acetone enol 1.375 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.550 1 4
HOCH2CH2NH2 monoethanolamine 1.415 3 4
CH3OC2H5 Ethane, methoxy- 1.413 1 2
    1.418 2 3
C3O2 Carbon suboxide 1.190 2 4
    1.190 3 5
BeCO3 Beryllium Carbonate 1.198 1 2
    1.417 1 4
    1.417 1 5
MgCO3 Magnesium Carbonate 1.214 1 2
    1.393 1 4
    1.393 1 5
CF3OH trifluoromethanol 1.353 1 2
C3H2O2 Propiolic acid 1.356 1 4
    1.218 1 5
CHOOCHO diformyl ether 1.202 2 4
    1.202 3 5
    1.388 1 2
    1.388 1 3
C3H3NO Oxazole 1.366 1 2
    1.377 1 5
C3H4O2 Methyl glyoxal 1.222 1 4
    1.227 2 5
CH3COCCH 3-butyn-2-one 1.226 2 3
C2H4O3 1,2,3-trioxolane 1.428 2 4
    1.428 3 5
HOCHCCHOH allenediol 1.375 2 4
    1.375 3 5
CH3OCH2CN Methoxyacetonitrile 1.424 1 2
    1.406 2 3
CH2CHOCHCH2 Vinyl ether 1.376 1 2
    1.382 1 3
HCOOC2H5 Ethyl formate 1.451 2 3
    1.215 4 5
    1.353 3 4
C4H10O 1-Butanol 1.426 1 5
C4H10O Methyl propyl ether 1.414 1 2
    1.417 2 3
Na2CO3 Sodium Carbonate 1.375 1 2
    1.286 1 3
    1.286 1 4
CF3OF Trifluoromethylhypofluorite 1.396 1 2
ClCOClCO Oxalyl chloride 1.201 1 3
    1.201 2 4
C2H2O4 Oxalic Acid 1.335 1 3
    1.220 1 5
    1.335 2 4
    1.220 2 6
C3H2O3 vinylene carbonate 1.200 1 2
    1.384 1 3
    1.384 1 4
    1.388 3 5
    1.388 4 6
CF3COOH trifluoroacetic acid 1.349 2 3
    1.212 2 4
C4H3ClO Furan, 2-chloro 1.365 1 5
    1.379 4 5
C2H4CO3 Ethylene carbonate 1.196 1 2
    1.403 1 3
    1.403 1 4
    1.403 3 5
    1.403 4 6
C2H5NO3 Nitric acid, ethyl ester 1.444 2 5
C3H6O3 1,3,5-Trioxane 1.413 1 4
    1.413 1 5
    1.413 2 4
    1.413 2 6
    1.413 3 5
    1.413 3 6
C5H6O Pentadienal 1.226 1 2
C4H7NO Ethoxyacetonitrile 1.427 2 3
    1.410 3 4
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.228 1 2
C5H8O Cyclopentanone 1.221 1 2
C4H8O2 Ethyl acetate 1.363 2 3
    1.219 2 4
    1.448 3 5
C5H8O Methyl cyclopropyl ketone 1.230 1 2
C5H10O 2-methylbutyraldehyde 1.222 1 6
C5H10O 3-Pentanone 1.228 1 2
CF3COF trifluoroacetyl fluoride 1.194 2 3
CF3COO- trifluoro acetate anion 1.256 2 6
    1.258 2 7
C6H6O 2,5-Cyclohexadienone 1.236 1 7
C3H7OC3H7 di-n-propyl ether 1.420 1 2
    1.420 1 3
C3H3N3O3 cyanuric acid 1.219 1 7
    1.219 2 8
    1.219 3 9