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Compare Calculated Bonds for C-O

17 01 10 14 40

MP3=FULL/aug-cc-pVTZ

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


Values greater than 2.20 are in the 2.20 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.288 0.182

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.086
Highest value H2COO+ dioxymethyl cation 2.218

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.170 1 2
CO Carbon monoxide 1.118 1 2
CO+ carbon monoxide cation 1.086 1 2
HCO- formyl anion 1.227 1 3
COH+ Carbon Monoxide, protonated 1.144 1 2
H2CO- formaldehyde anion 1.270 1 2
H2CO Formaldehyde 1.195 1 2
H2CO+ formaldehyde cation 1.193 1 2
CH3O- methoxy anion 1.337 1 2
CH3O+ Methoxy cation 1.309 1 2
CH2OH+ hydroxymethyl cation 1.236 1 2
NCO isocyanato radical 1.154 2 3
OCS Carbonyl sulfide 1.143 1 2
OCSe Carbonyl selenide 1.139 1 2
HOCO Hydrocarboxyl radical 1.329 1 2
    1.165 1 3
HCCO ketenyl radical 1.155 1 3
HCOOH Formic acid 1.333 1 2
    1.189 1 3
C2H2O Oxirene 1.479 1 2
    1.479 1 3
CH2CO Ketene 1.150 2 3
H2COO Dioxymethyl radical 2.208 2 5
    1.235 1 2
H2COO+ dioxymethyl cation 2.218 2 5
    1.236 1 2
CNOH3 1,2-oxaziridine 1.385 1 3
HOCHNH hydroxymethylimine 1.344 1 2
BH3CO Borane carbonyl 1.116 2 3
CH2COH+ ketene, protonated 1.216 2 3
CH2FOH fluoromethanol 1.371 1 3
CH3CHO Acetaldehyde 1.197 1 3
CH3CHO+ acetaldehyde cation 1.203 1 3
C2H4O Ethylene oxide 1.415 1 2
    1.415 1 3
NH2CHOH+ Formamide, O-protonated 1.277 1 2
CH3CHOH 1-hydroxy-ethyl radical 1.365 1 3
CH3CHOH+ acetaldehyde, protonated 1.251 1 3
NH2CH2OH aminomethanol 1.415 2 3
C3O Tricarbon monoxide 1.133 3 4
CF2O+ Carbonic difluoride cation 1.262 1 2
C3H2O Propadienal 1.156 3 4
CH3NCO methylisocyante 1.164 3 4
NH2CONH2 Urea 1.207 1 2
NH3COOH+ protonated Carbamic acid 1.167 1 2
    1.301 1 4
NH2COOH2+ Carbamic acid, O-protonated 1.288 1 2
    1.281 1 4
HCONHCH3 N-methylformamide 1.205 1 2
CH5N2O+ urea, N-protonated 1.175 1 2
H2NCOHNH2+ urea, protonated 1.298 1 2
CH2ClCH2OH 2-Chloroethanol 1.412 1 4
CH3CH2CHO Propanal 1.197 3 4
C3H6O Acetone enol 1.360 2 4
CH2ClCH2OH2+ 2-chloroethanol, protonated 1.521 1 4
C3O2 Carbon suboxide 1.146 2 4
    1.146 3 5
BeCO3 Beryllium Carbonate 1.175 1 2
    1.376 1 4
    1.376 1 5
MgCO3 Magnesium Carbonate 1.194 1 2
    1.355 1 4
    1.355 1 5
CHOOCHO diformyl ether 1.178 2 4
    1.178 3 5
    1.359 1 2
    1.359 1 3
CH3COCCH 3-butyn-2-one 1.200 2 3
HCOOC2H5 Ethyl formate 1.192 4 5
    1.432 2 3
    1.325 3 4
C3H2O3 vinylene carbonate 1.177 1 2
    1.352 1 3
    1.352 1 4
    1.374 3 5
    1.374 4 6
C5H6O Pentadienal 1.201 1 2