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Compare Calculated Bonds for C-O

17 01 10 14 40

MP3=FULL/6-31G

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


Values greater than 2.60 are in the 2.60 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.353 0.178

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.114
Highest value H2COO+ dioxymethyl cation 2.347

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.266 1 2
CO Carbon monoxide 1.151 1 2
CO+ carbon monoxide cation 1.114 1 2
HCO- formyl anion 1.281 1 3
COH+ Carbon Monoxide, protonated 1.181 1 2
H2CO- formaldehyde anion 1.346 1 2
H2CO Formaldehyde 1.240 1 2
H2CO+ formaldehyde cation 1.240 1 2
CH3O- methoxy anion 1.383 1 2
CH3O+ Methoxy cation 1.410 1 2
CH2OH+ hydroxymethyl cation 1.270 1 2
NCO isocyanato radical 1.190 2 3
OCS Carbonyl sulfide 1.172 1 2
OCSe Carbonyl selenide 1.172 1 2
HOCO Hydrocarboxyl radical 1.381 1 2
    1.200 1 3
HCCO ketenyl radical 1.203 1 3
HCOOH Formic acid 1.379 1 2
    1.228 1 3
C2H2O Oxirene 1.583 1 2
    1.583 1 3
CH2CO Ketene 1.193 2 3
H2COO Dioxymethyl radical 2.345 2 5
    1.254 1 2
H2COO+ dioxymethyl cation 2.347 2 5
    1.269 1 2
CNOH3 1,2-oxaziridine 1.473 1 3
HOCHNH hydroxymethylimine 1.394 1 2
BH3CO Borane carbonyl 1.147 2 3
CH2COH+ ketene, protonated 1.250 2 3
CH2FOH fluoromethanol 1.415 1 3
CH3CHO Acetaldehyde 1.242 1 3
CH3CHO+ acetaldehyde cation 1.253 1 3
C2H4O Ethylene oxide 1.501 1 2
    1.501 1 3
C2H4O+ ethylene oxide cation 1.598 1 2
    1.598 1 3
NH2CHOH+ Formamide, O-protonated 1.319 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.415 1 3
CH3CHOH+ acetaldehyde, protonated 1.286 1 3
NH2CH2OH aminomethanol 1.475 2 3
C3O Tricarbon monoxide 1.171 3 4
CF2O+ Carbonic difluoride cation 1.303 1 2
C3H2O Propadienal 1.203 3 4
HOCH2CN cyanomethanol 1.458 1 3
CH3NCO methylisocyante 1.210 3 4
NH2CONH2 Urea 1.253 1 2
NH3COOH+ protonated Carbamic acid 1.208 1 2
    1.345 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.333 1 2
    1.322 1 4
HCONHCH3 N-methylformamide 1.249 1 2
CH5N2O+ urea, N-protonated 1.218 1 2
CH3C(OH)=NH Ethaninidic acid 1.394 1 4
H2NCOHNH2+ urea, protonated 1.348 1 2
CH2ClCH2OH 2-Chloroethanol 1.465 1 4
CH3CH2CHO Propanal 1.242 3 4
C3H5OH Cyclopropanol 1.442 1 4
C3H6O Acetone enol 1.414 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.575 1 4
C3O2 Carbon suboxide 1.185 2 4
    1.185 3 5
BeCO3 Beryllium Carbonate 1.207 1 2
    1.448 1 4
    1.448 1 5
MgCO3 Magnesium Carbonate 1.225 1 2
    1.418 1 4
    1.418 1 5
CHOOCHO diformyl ether 1.217 2 4
    1.217 3 5
    1.405 1 2
    1.405 1 3
CH3COCCH 3-butyn-2-one 1.247 2 3
CH3OCH2CN Methoxyacetonitrile 1.467 1 2
    1.453 2 3
HCOOC2H5 Ethyl formate 1.486 2 3
    1.231 4 5
    1.372 3 4
C4H10O Methyl propyl ether 1.457 1 2
    1.459 2 3
ClCOClCO Oxalyl chloride 1.211 1 3
    1.211 2 4
C2H2O4 Oxalic Acid 1.360 1 3
    1.231 1 5
    1.360 2 4
    1.231 2 6
C3H2O3 vinylene carbonate 1.211 1 2
    1.412 1 3
    1.412 1 4
    1.431 3 5
    1.431 4 6
C4H3ClO Furan, 2-chloro 1.393 1 5
    1.414 4 5
C4H6O2 γ–Butyrolactone 1.400 1 5
    1.225 1 6
    1.485 4 5
C3H6O3 1,3,5-Trioxane 1.454 1 4
    1.454 1 5
    1.454 2 4
    1.454 2 6
    1.454 3 5
    1.454 3 6
C5H6O Pentadienal 1.246 1 2
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.257 1 2
C4H8O2 Butanoic acid 1.391 1 5
    1.235 1 6
C5H10O 3-Pentanone 1.245 1 2
CF3COF trifluoroacetyl fluoride 1.210 2 3
CF3COO- trifluoro acetate anion 1.270 2 6
    1.273 2 7
C6H12O Oxepane 1.464 1 2
    1.467 1 7