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Compare Calculated Bonds for C-O

17 01 10 14 40

MP4/daug-cc-pVTZ

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.277 0.125

  Species Name Bond Length (Å)
Lowest value CO+ carbon monoxide cation 1.101
Highest value C2H2O Oxirene 1.512

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CO- carbon monoxide anion 1.147 1 2
CO Carbon monoxide 1.147 1 2
CO+ carbon monoxide cation 1.101 1 2
H2CO Formaldehyde 1.217 1 2
H2CO+ formaldehyde cation 1.202 1 2
CH3OH+ Methyl alcohol cation 1.391 1 2
CO2 Carbon dioxide 1.176 1 2
    1.176 1 3
OCS Carbonyl sulfide 1.177 1 2
HCCO ketenyl radical 1.172 1 3
HCOOH Formic acid 1.359 1 2
    1.203 1 3
C2H2O Oxirene 1.512 1 2
    1.512 1 3
CH2CO Ketene 1.176 2 3
CH2FOH fluoromethanol 1.384 1 3
CH3CHO Acetaldehyde 1.220 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
NH2CHOH+ Formamide, O-protonated 1.292 1 2
CF2O+ Carbonic difluoride cation 1.277 1 2
C3H2O Propadienal 1.183 3 4
CH3CH2CHO Propanal 1.220 3 4
C3O2 Carbon suboxide 1.182 2 4
    1.182 3 5
CHOOCHO diformyl ether 1.199 2 4
    1.199 3 5
    1.384 1 2
    1.384 1 3