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Compare Calculated Bonds for O-C

17 01 10 14 40

MP4/aug-cc-pVTZ

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
1.312 0.143

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.101
Highest value H2COO Dioxymethyl radical 2.256

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.194 1 2
CO Carbon monoxide 1.147 1 2
CO+ carbon monoxide cation 1.101 1 2
HCO- formyl anion 1.252 1 3
COH+ Carbon Monoxide, protonated 1.169 1 2
H2CO- formaldehyde anion 1.286 1 2
H2CO Formaldehyde 1.217 1 2
H2CO+ formaldehyde cation 1.202 1 2
HOCH hydroxycarbene 1.323 1 2
CH3O- methoxy anion 1.356 1 2
CH3O+ Methoxy cation 1.305 1 2
CH2OH Hydroxymethyl radical 1.372 1 2
CH2OH+ hydroxymethyl cation 1.256 1 2
CH3OH- Methyl alcohol anion 1.429 1 2
CH3OH Methyl alcohol 1.429 1 2
CH3OH+ Methyl alcohol cation 1.376 1 2
CO2 Carbon dioxide 1.177 1 2
    1.177 1 3
CO2+ Carbon dioxide cation 1.239 1 2
    1.126 1 3
CCO Dicarbon monoxide 1.168 2 3
NCO isocyanato radical 1.169 2 3
OCS Carbonyl sulfide 1.177 1 2
OCSe Carbonyl selenide 1.177 1 2
FCO Carbonyl fluoride 1.178 2 3
FCO+ Carbonyl fluoride cation 1.138 2 3
ClCO carbonyl monochloride 1.172 2 3
HCOO formate neutral radical 1.210 1 3
    1.333 1 4
HCCO ketenyl radical 1.172 1 3
HFCO+ formyl fluoride cation 1.253 1 2
HCOOH Formic acid 1.353 1 2
    1.210 1 3
C2H2O Oxirene 1.512 1 2
    1.512 1 3
CH2CO Ketene 1.176 2 3
H2COO Dioxymethyl radical 2.256 2 5
    1.302 1 2
CHONH2 formamide 1.223 1 2
CNOH3 1,2-oxaziridine 1.409 1 3
HOCHNH hydroxymethylimine 1.352 1 2
BH3CO Borane carbonyl 1.145 2 3
CH2COH+ ketene, protonated 1.233 2 3
NaOCH3 Sodium methoxide 1.386 2 3
CH2FOH fluoromethanol 1.384 1 3
CH3CHO Acetaldehyde 1.219 1 3
CH3CHO+ acetaldehyde cation 1.209 1 3
C2H4O Ethylene oxide 1.443 1 2
    1.443 1 3
C2H4O+ ethylene oxide cation 1.495 1 2
    1.495 1 3
CH2(OH)2 methanediol 1.411 1 2
    1.411 1 3
H2CONH2+ protonated formamide 1.292 1 2
NH2CHOH+ Formamide, O-protonated 1.292 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.381 1 3
CH3CHOH+ acetaldehyde, protonated 1.271 1 3
C3O Tricarbon monoxide 1.171 3 4
CF2O+ Carbonic difluoride cation 1.277 1 2
C3H2O Propadienal 1.183 3 4
HOCH2CN cyanomethanol 1.418 1 3
NH2COOH Carbamic acid 1.218 1 2
    1.367 1 4
CH3NCO methylisocyante 1.188 3 4
NH2CONH2 Urea 1.223 1 2
NH3COOH+ protonated Carbamic acid 1.187 1 2
    1.318 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.303 1 2
    1.297 1 4
CH5N2O+ urea, N-protonated 1.194 1 2
CH3C(OH)=NH Ethaninidic acid 1.361 1 4
H2NCOHNH2+ urea, protonated 1.314 1 2
CH2FCH2OH 2-fluoroethanol 1.423 1 3
CH2ClCH2OH 2-Chloroethanol 1.430 1 4
C3H6O Oxetane 1.457 1 3
    1.457 1 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.551 1 4
C3O2 Carbon suboxide 1.181 2 4
    1.181 3 5
BeCO3 Beryllium Carbonate 1.194 1 2
    1.406 1 4
    1.406 1 5
MgCO3 Magnesium Carbonate 1.212 1 2
    1.383 1 4
    1.383 1 5
CHOOCHO diformyl ether 1.198 2 4
    1.198 3 5
    1.384 1 2
    1.384 1 3
C3H3NO Oxazole 1.363 1 2
    1.376 1 5
CH3COCCH 3-butyn-2-one 1.225 2 3
C2H4O3 1,2,3-trioxolane 1.431 2 4
    1.431 3 5
Na2CO3 Sodium Carbonate 1.363 1 2
    1.284 1 3
    1.284 1 4
C3H6O3 1,3,5-Trioxane 1.414 1 4
    1.414 1 5
    1.414 2 4
    1.414 2 6
    1.414 3 5
    1.414 3 6