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Compare Calculated Bonds for H-C

17 01 10 14 40

G3MP2

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
1.085 0.056

  Species Name Bond Length (Å)
Lowest value HCNO fulminic acid 1.055
Highest value C2H3+ vinyl cation 2.035

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH Methylidyne 1.108 1 2
CH2 Methylene 1.071 1 2
    1.071 1 3
CH2+ methylene cation 1.080 1 2
    1.080 1 3
CH3- methyl anion 1.119 1 2
    1.119 1 3
    1.119 1 4
CH3+ methyl cation 1.078 1 2
    1.078 1 3
    1.078 1 4
CH4 Methane 1.084 1 2
    1.084 1 3
    1.084 1 4
    1.084 1 5
C2H- Ethynyl anion 1.062 1 3
C2H Ethynyl radical 1.058 1 3
HCN Hydrogen cyanide 1.059 1 2
HCO Formyl radical 1.106 1 2
HCO+ Formyl cation 1.086 1 2
C2H2+ acetylene cation 1.071 1 3
    1.071 2 4
H2CO- formaldehyde anion 1.118 2 3
    1.118 2 4
H2CO Formaldehyde 1.092 2 3
    1.092 2 4
H2CO+ formaldehyde cation 1.087 2 3
    1.087 2 4
H2CS Thioformaldehyde 1.078 2 3
    1.078 2 4
CH2F fluoromethyl radical 1.073 1 3
    1.073 1 4
CH3Li methyl lithium 1.093 2 3
    1.093 2 4
    1.093 2 5
C2H3 vinyl 1.072 1 3
    1.080 2 4
    1.076 2 5
C2H3+ vinyl cation 1.085 1 2
    2.035 1 3
    1.085 2 4
    1.072 3 5
CH2NH Methanimine 1.084 1 3
    1.080 1 4
CH2OH Hydroxymethyl radical 1.073 1 3
    1.078 1 4
CH2OH+ hydroxymethyl cation 1.076 1 3
    1.079 1 4
CH3Cl Methyl chloride 1.078 1 3
    1.078 1 4
    1.078 1 5
CH3Br methyl bromide 1.077 1 3
    1.077 1 4
    1.077 1 5
C2H4 Ethylene 1.076 1 3
    1.076 1 4
    1.076 2 5
    1.076 2 6
CH2NH2+ methyleneamine cation 1.075 1 3
    1.075 1 4
CH3SH Methanethiol 1.082 1 4
    1.081 1 5
    1.081 1 6
C2H5 Ethyl radical 1.091 1 3
    1.085 1 4
    1.085 1 5
    1.075 2 6
    1.075 2 7
CH3NH2 methyl amine 1.091 1 3
    1.084 1 4
    1.084 1 5
C2H6 Ethane 1.086 1 3
    1.086 1 4
    1.086 1 5
    1.086 2 6
    1.086 2 7
    1.086 2 8
HCNO fulminic acid 1.055 3 4
HCCO ketenyl radical 1.055 2 4
HCCF Fluoroacetylene 1.055 2 4
HCOOH Formic acid 1.083 1 4
C2H2O Oxirene 1.062 2 4
    1.062 3 5
CH2F2 Methane, difluoro- 1.078 1 2
    1.078 1 3
CH2Br2 dibromomethane 1.073 1 2
    1.073 1 3
C3H3 Propargyl radical 1.074 1 4
    1.074 1 5
    1.057 3 6
CH3CN Acetonitrile 1.082 1 4
    1.082 1 5
    1.082 1 6
CH3OO methylperoxy radical 1.080 1 4
    1.081 1 5
    1.081 1 6
CH3CO Acetyl radical 1.084 1 4
    1.084 1 5
    1.084 1 6
CH2CHF Ethene, fluoro- 1.072 1 4
    1.074 2 5
    1.073 2 6
CH3CCH propyne 1.084 1 5
    1.084 1 6
    1.084 1 7
    1.057 3 4
CH2CCH2 allene 1.076 2 4
    1.076 2 5
    1.076 3 6
    1.076 3 7
CH3CHO Acetaldehyde 1.095 1 4
    1.082 2 5
    1.087 2 6
    1.087 2 7
C2H4S Thiirane 1.075 2 4
    1.075 2 5
    1.075 3 6
    1.075 3 7
CH3CHS Thioacetaldehyde 1.081 1 4
    1.080 2 5
    1.088 2 6
    1.088 2 7
C3H5 Allyl radical 1.078 1 2
    1.074 3 5
    1.076 3 7
    1.074 4 6
    1.076 4 8
C2H5Br Ethyl bromide 1.087 1 6
    1.083 1 7
    1.083 1 8
    1.078 2 4
    1.078 2 5
CH3CH2SH ethanethiol 1.085 1 4
    1.084 1 5
    1.084 1 6
    1.082 2 7
    1.082 2 8
CH3SCH3 Dimethyl sulfide 1.082 2 4
    1.083 2 6
    1.083 2 7
    1.082 3 5
    1.083 3 8
    1.083 3 9
CH3CHCH3 Isopropyl radical 1.078 1 4
    1.087 2 5
    1.092 2 7
    1.085 2 8
    1.087 3 6
    1.092 3 9
    1.085 3 10
C3H7 n-Propyl radical 1.076 1 9
    1.076 1 10
    1.092 2 7
    1.087 2 8
    1.085 3 4
    1.085 3 5
    1.086 3 6
C3H8 Propane 1.087 1 4
    1.087 1 5
    1.086 2 6
    1.087 2 8
    1.087 2 9
    1.086 3 7
    1.087 3 10
    1.087 3 11
CHF3 Methane, trifluoro- 1.074 1 2
C4H2 Diacetylene 1.057 3 5
    1.057 4 6
C2H2O2 Ethanedial 1.091 1 3
    1.091 2 4
C3H3N+ acrylonitrile cation 1.077 3 4
    1.076 5 6
    1.075 5 7
C3H4O Cyclopropanone 1.077 3 5
    1.077 3 6
    1.077 4 7
    1.077 4 8
C2H4F2 1,2-difluoroethane 1.083 1 5
    1.082 1 6
    1.083 2 7
    1.082 2 8
C4H8 cyclobutane 1.085 1 5
    1.084 1 6
    1.085 2 7
    1.084 2 8
    1.085 3 9
    1.084 3 10
    1.085 4 11
    1.084 4 12
CH3CH(CH3)CH3 Isobutane 1.089 1 2
    1.087 3 6
    1.086 3 9
    1.086 3 10
    1.087 4 7
    1.086 4 11
    1.086 4 12
    1.087 5 8
    1.086 5 13
    1.086 5 14
C4H5N Pyrrole 1.070 3 7
    1.070 4 8
    1.072 5 9
    1.072 6 10
CH3OCH2CN Methoxyacetonitrile 1.079 1 6
    1.085 1 7
    1.087 1 8
    1.080 3 9
    1.086 3 10
C2H6O2S Dimethyl sulfone 1.082 4 6
    1.081 4 8
    1.081 4 9
    1.082 5 7
    1.081 5 10
    1.081 5 11
CH3CCl2CH3 Propane, 2,2-dichloro- 1.081 4 6
    1.083 4 8
    1.083 4 9
    1.081 5 7
    1.083 5 10
    1.083 5 11
C5H10 Cyclopentane 1.085 1 12
    1.088 1 13
    1.086 2 6
    1.085 2 7
    1.085 3 8
    1.085 3 9
    1.087 4 10
    1.085 4 11
    1.088 5 14
    1.085 5 15
C3H6O3 1,3,5-Trioxane 1.076 1 7
    1.091 1 8
    1.076 2 9
    1.091 2 10
    1.076 3 11
    1.091 3 12
C3H6S3 Carbonotrithioic acid, dimethyl ester 1.079 5 7
    1.082 5 9
    1.079 5 10
    1.079 6 8
    1.079 6 11
    1.082 6 12
C5H10O 3-Pentanone 1.088 3 7
    1.088 3 8
    1.088 4 9
    1.088 4 10
    1.085 5 11
    1.083 5 12
    1.083 5 13
    1.085 6 14
    1.083 6 15
    1.083 6 16
C6H5CH2 benzyl radical 1.076 2 8
    1.075 3 9
    1.075 4 10
    1.075 5 11
    1.076 6 12
    1.075 7 13
    1.075 7 14
C5H8O2 Acetylacetone 1.082 1 8
    1.082 1 9
    1.081 4 10
    1.085 4 11
    1.087 4 12
    1.081 5 13
    1.085 5 14
    1.087 5 15
C6H4F2 1,4-difluorobenzene 1.074 3 9
    1.074 4 10
    1.074 5 11
    1.074 6 12
C6H5CHO benzaldehyde 1.074 2 10
    1.075 3 11
    1.075 4 12
    1.075 5 13
    1.077 6 14
    1.095 7 9
C8H14 Bicyclo[2.2.2]octane 1.087 1 9
    1.087 2 10
    1.086 3 11
    1.086 3 12
    1.086 4 13
    1.086 4 14
    1.086 5 15
    1.086 5 16
    1.086 6 17
    1.086 6 18
    1.086 7 19
    1.086 7 20
    1.086 8 21
    1.086 8 22
C10H8 naphthalene 1.076 1 11
    1.075 2 12
    1.075 3 13
    1.076 4 14
    1.076 5 15
    1.075 6 16
    1.075 7 17
    1.076 8 18