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Compare Calculated Bonds for O-C

17 01 10 14 40

HSEh1PBE/6-31G**

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
1.311 0.136

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.117
Highest value H2COO+ dioxymethyl cation 2.258

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 1.135 1 2
CO+ carbon monoxide cation 1.117 1 2
HCO- formyl anion 1.236 1 3
COH+ Carbon Monoxide, protonated 1.162 1 2
H2CO- formaldehyde anion 1.296 1 2
H2CO Formaldehyde 1.203 1 2
HOCH hydroxycarbene 1.312 1 2
CH3O- methoxy anion 1.305 1 2
CH3O+ Methoxy cation 1.301 1 2
CH2OH Hydroxymethyl radical 1.361 1 2
CH2OH+ hydroxymethyl cation 1.246 1 2
CH3OH- Methyl alcohol anion 1.337 1 2
CH3OH Methyl alcohol 1.408 1 2
CH3OH+ Methyl alcohol cation 1.355 1 2
CH3OH2+ Methanol, protonated 1.500 1 2
CO2 Carbon dioxide 1.165 1 2
    1.165 1 3
CO2+ Carbon dioxide cation 1.177 1 2
    1.177 1 3
CCO Dicarbon monoxide 1.167 2 3
FCO Carbonyl fluoride 1.174 2 3
FCO+ Carbonyl fluoride cation 1.121 2 3
ClCO carbonyl monochloride 1.164 2 3
HOCO Hydrocarboxyl radical 1.337 1 2
    1.184 1 3
HCOO formate neutral radical 1.205 1 3
    1.252 1 4
HFCO+ formyl fluoride cation 1.244 1 2
H2COO dioxymethyl 2.233 2 5
    1.260 1 2
H2COO+ dioxymethyl cation 2.258 2 5
    1.255 1 2
CHONH2 formamide 1.212 1 2
CNOH3 1,2-oxaziridine 1.390 1 3
HOCHNH hydroxymethylimine 1.339 1 2
BH3CO Borane carbonyl 1.137 2 3
NaOCH3 Sodium methoxide 1.361 2 3
CH3OCl methyl hypochlorite 1.416 1 3
CH2(OH)2 methanediol 1.397 1 2
    1.397 1 3
H2CONH2+ protonated formamide 1.282 1 2
CH3CH2O Ethoxy radical 1.364 2 3
CH3CHOH 1-hydroxy-ethyl radical 1.369 1 3
CH3CHOH+ acetaldehyde, protonated 1.264 1 3
NH2CH2OH aminomethanol 1.418 2 3
CH2CH2OH 2-hydroxy ethyl radical 1.416 1 2
CH3OCH2 methoxymethyl radical 1.411 1 2
    1.353 1 3
C3O Tricarbon monoxide 1.156 3 4
H2CO3 Carbonic acid 1.207 1 2
    1.334 1 3
    1.334 1 4
NH2COOH Carbamic acid 1.212 1 2
    1.355 1 4
H3CO3+ carbonic acid, protonated 1.279 1 2
    1.279 1 3
    1.279 1 4
CH2ClCHO chloroacetaldehyde 1.203 2 4
NH2CONH2 Urea 1.217 1 2
NH3COOH+ protonated Carbamic acid 1.180 1 2
    1.305 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.296 1 2
    1.289 1 4
HCONHCH3 N-methylformamide 1.218 1 2
CH3COCH2 Acetonyl radical 1.234 1 2
C2H5OO ethylperoxy radical 1.449 2 3
CH5N2O+ urea, N-protonated 1.187 1 2
H2NCOHNH2+ urea, protonated 1.306 1 2
CH2ClCH2OH 2-Chloroethanol 1.410 1 4
CH3COCH3- acetone anion 1.296 1 2
C3H6O 2-Propen-1-ol 1.415 1 4
C3H6O Oxetane 1.435 1 3
    1.435 1 4
C3H5OH Cyclopropanol 1.394 1 4
C3H6O Acetone enol 1.361 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.531 1 4
HOCH2CH2NH2 monoethanolamine 1.402 3 4
CH3OC2H5 Ethane, methoxy- 1.400 1 2
    1.407 2 3
BeCO3 Beryllium Carbonate 1.189 1 2
    1.389 1 4
    1.389 1 5
MgCO3 Magnesium Carbonate 1.206 1 2
    1.369 1 4
    1.369 1 5
CF3OH trifluoromethanol 1.344 1 2
CHOCOOH oxo acetic acid 1.208 1 3
    1.202 2 4
    1.329 2 5
C3H2O2 Propiolic acid 1.342 1 4
    1.207 1 5
CHCl2CHO dichloroacetaldehyde 1.200 2 6
C3H3NO Oxazole 1.350 1 2
    1.363 1 5
C3H4O2 Methyl glyoxal 1.206 1 4
    1.212 2 5
C2H4O3 1,2,3-trioxolane 1.418 2 4
    1.418 3 5
HOCHCCHOH allenediol 1.361 2 4
    1.361 3 5
CH3OCH2CN Methoxyacetonitrile 1.413 1 2
    1.396 2 3
CH3CH2COOH Propanoic Acid 1.349 1 4
    1.208 1 5
CH2CHOCHCH2 Vinyl ether 1.361 1 2
    1.366 1 3
C4H10O 1-Butanol 1.414 1 5
Na2CO3 Sodium Carbonate 1.351 1 2
    1.275 1 3
    1.275 1 4
CF3OF Trifluoromethylhypofluorite 1.385 1 2
ClCOClCO Oxalyl chloride 1.185 1 3
    1.185 2 4
CF3CHO trifluoroacetaldehyde 1.198 2 3
CCl3CHO trichloroacetaldehyde 1.194 2 3
C2H2O4 Oxalic Acid 1.317 1 3
    1.317 2 4
    1.207 1 5
    1.207 2 6
CF3COOH trifluoroacetic acid 1.332 2 3
    1.199 2 4
C4H3ClO Furan, 2-chloro 1.361 4 5
    1.348 1 5
C2H4CO3 Ethylene carbonate 1.185 1 2
    1.388 1 3
    1.388 1 4
    1.388 3 5
    1.388 4 6
C2H4O4 Formic acid dimer 1.213 1 3
    1.213 2 4
    1.312 1 5
    1.312 2 6
C2H5NO3 Nitric acid, ethyl ester 1.440 2 5
C4H6O2 Crotonic Acid 1.351 1 5
    1.212 1 6
C5H6O 2-methylfuran 1.361 1 2
    1.357 1 3
C5H6O 3-Methylfuran 1.357 1 2
    1.353 1 3
C3H7ONO Propyl nitrite 1.438 3 4
C4H7NO Ethoxyacetonitrile 1.416 2 3
    1.397 3 4
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.222 1 2
C5H8O Cyclopentanone 1.207 1 2
C4H8O2 Ethyl acetate 1.345 2 3
    1.208 2 4
    1.435 3 5
C5H8O Methyl cyclopropyl ketone 1.217 1 2
C4H8O2 Butanoic acid 1.350 1 5
    1.208 1 6
C5H10O 2-methylbutyraldehyde 1.207 1 6
CF3COF trifluoroacetyl fluoride 1.181 2 3
CF3COO- trifluoro acetate anion 1.242 2 6
    1.244 2 7
C6H6O 2,5-Cyclohexadienone 1.223 1 7
HO2CCHNH2CH2OH Serine 1.342 1 2
    1.211 1 3
    1.401 5 6
C5H8O2 Acetylacetone 1.212 2 6
    1.212 3 7
C3H7OC3H7 di-n-propyl ether 1.407 1 2
    1.407 1 3
C5H9NO2 Proline 1.207 6 7
    1.347 6 8
C3H3N3O3 cyanuric acid 1.208 1 7
    1.208 2 8
    1.208 3 9
CH3COC6H5 acetophenone 1.217 2 4
C6H12O6 Inositol 1.401 1 7
    1.401 2 8
    1.401 3 9
    1.401 4 10
    1.401 5 11
    1.401 6 12