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Compare Calculated Bonds for H-C

17 01 10 14 40

AM1

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


Values greater than 10.00 are in the 10.00 bin. Values less than 1.00 are in the 1.00 bin.

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histogram chart 300 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 200 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 100 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line
1.00 2.00 3.00 4.00 5.00 6.00 7.00 8.00 9.00 10.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.175 0.473

  Species Name Bond Length (Å)
Lowest value HCCH- acetylene anion 1.046
Highest value C14H14 Bibenzyl 8.061

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH Methylidyne 1.105 1 2
CH2 Methylene 1.057 1 2
    1.057 1 3
CH2+ methylene cation 1.089 1 2
    1.089 1 3
CH3- methyl anion 1.079 1 2
    1.079 1 3
    1.079 1 4
CH3 Methyl radical 1.086 1 2
    1.086 1 3
    1.086 1 4
CH3+ methyl cation 1.109 1 2
    1.109 1 3
    1.109 1 4
CH4 Methane 1.112 1 2
    1.112 1 3
    1.112 1 4
    1.112 1 5
CH4+ Methane cation 1.149 1 2
    1.149 1 3
    1.149 1 4
    1.149 1 5
HCN+ hydrogen cyanide cation 1.111 1 2
HCO Formyl radical 1.083 1 2
HCO+ Formyl cation 1.097 1 2
HCS- Thioformyl anion 1.099 1 2
HCS+ Thioformyl cation 1.089 1 2
HCCl Chloromethylene 1.110 1 3
HCCH- acetylene anion 1.046 1 3
    1.046 2 4
HCNH methyleneazane 1.074 1 3
H2CO- formaldehyde anion 1.108 2 3
    1.108 2 4
HOCH hydroxycarbene 1.116 1 3
H2CS Thioformaldehyde 1.099 2 3
    1.099 2 4
CH2F+ fluoromethyl cation 1.122 1 3
    1.122 1 4
CH2Cl+ chloromethyl cation 1.114 1 3
    1.114 1 4
CH2Cl chloromethyl radical 1.087 1 3
    1.087 1 4
CH2Br bromomethyl radical 1.087 1 3
    1.087 1 4
C2H3+ vinyl cation 1.128 1 2
    2.130 1 3
    1.128 2 4
    1.083 3 5
CH2NH Methanimine 1.108 1 3
    1.107 1 4
CHNH2 aminomethylene 1.111 1 3
CH3F+ methyl fluoride cation 1.124 1 3
    1.193 1 4
    1.193 1 5
CH3Br methyl bromide 1.110 1 3
    1.110 1 4
    1.110 1 5
C2H4+ Ethylene cation 1.108 1 3
    1.108 1 4
    1.108 2 5
    1.108 2 6
CH3OH- Methyl alcohol anion 1.134 1 3
    1.138 1 4
    1.138 1 5
CH3OH+ Methyl alcohol cation 1.129 1 3
    1.158 1 4
    1.158 1 5
CH3SH+ Methanethiol cation 1.128 1 4
    1.130 1 5
    1.130 1 6
C2H5+ Ethyl cation 1.405 1 2
    1.405 1 3
    1.113 2 4
    1.113 2 5
    1.113 3 6
    1.113 3 7
CH3NH2 methyl amine 1.126 1 3
    1.122 1 4
    1.122 1 5
CH3SH2+ protonated methylsulfide 1.118 1 3
    1.123 1 4
    1.123 1 5
C2H6 Ethane 1.117 1 3
    1.117 1 4
    1.117 1 5
    1.117 2 6
    1.117 2 7
    1.117 2 8
HCCN cyanomethylene 1.058 1 4
HCNO fulminic acid 1.061 3 4
HCCO ketenyl radical 1.056 2 4
CHF2 difluoromethyl radical 1.093 1 2
CHF2+ difluoromethyl cation 1.130 1 2
HCCF Fluoroacetylene 1.058 2 4
CHCl2+ dichloromethyl cation 1.122 1 2
CHFCl Chlorofluoromethyl radical 1.092 1 2
CHFCl+ Chlorofluoromethyl cation 1.129 1 2
CHBr2 dibromomethyl radical 1.090 1 2
HCOOH Formic acid 1.106 1 4
C2H2O Oxirene 1.066 2 4
    1.066 3 5
CH2CS Thioketene 1.098 1 4
    1.098 1 5
CH2F2 Methane, difluoro- 1.127 1 2
    1.127 1 3
CH2Cl2 Methylene chloride 1.113 1 2
    1.113 1 3
CH2Br2 dibromomethane 1.110 1 2
    1.110 1 3
CH2BrCl Methane, bromochloro- 1.112 1 4
    1.112 1 5
CH2I2 Diiodomethane 1.108 1 4
    1.108 1 5
CH2FI fluoroiodomethane 1.118 1 4
    1.118 1 5
CH2ClI chloroiodomethane 1.111 1 4
    1.111 1 5
C3H3- Propargyl anion 1.088 1 4
    1.088 1 5
    1.048 3 6
C3H3+ Propargyl cation 1.113 1 4
    1.113 1 5
    1.078 3 6
C3H3 cyclopropenyl radical 1.064 1 2
    1.071 3 5
    1.071 4 6
CH3CN- acetonitrile anion 1.123 1 4
    1.123 1 5
    1.123 1 6
CHONH2 formamide 1.114 1 4
CH2CHF Ethene, fluoro- 1.105 1 4
    1.096 2 5
    1.096 2 6
CH2FOH fluoromethanol 1.126 1 4
    1.125 1 5
CH3MgBr Methyl Magnesium Bromide 1.111 1 4
    1.111 1 5
    1.111 1 6
C2H3I Vinyl iodide 1.097 1 4
    1.099 2 5
    1.101 2 6
CH3CCH propyne 1.121 1 5
    1.121 1 6
    1.121 1 7
    1.060 3 4
CH2CCH2 allene 1.100 2 4
    1.100 2 5
    1.100 3 6
    1.100 3 7
C2H4O Ethylene oxide 1.105 2 4
    1.105 2 5
    1.105 3 6
    1.105 3 7
NH2CHOH+ Formamide, O-protonated 1.126 1 4
CH3SSH Hydrogen methyl disulfide 1.112 1 5
    1.118 1 6
    1.112 1 7
HSCH2SH Methanedithiol 1.117 1 4
    1.117 1 5
CH2CH2Cl 2-chloroethyl radical 1.091 1 4
    1.091 1 5
    1.118 2 6
    1.118 2 7
C3H5 Allyl radical 1.105 1 2
    1.094 3 5
    1.095 3 7
    1.094 4 6
    1.095 4 8
C2H5Br Ethyl bromide 1.119 1 6
    1.117 1 7
    1.117 1 8
    1.115 2 4
    1.115 2 5
C2H5I Ethyl iodide 1.114 1 4
    1.114 1 5
    1.119 2 6
    1.118 2 7
    1.118 2 8
C3H6 Cyclopropane 1.104 1 4
    1.104 1 7
    1.104 2 5
    1.104 2 8
    1.104 3 6
    1.104 3 9
CH2CHCH3 Propene 1.118 1 7
    1.119 1 8
    1.119 1 9
    1.103 2 6
    1.098 3 4
    1.098 3 5
C2H6N+ aziridine, protonated 1.116 2 6
    1.116 2 7
    1.116 3 8
    1.116 3 9
CH3OCH3 Dimethyl ether 1.118 2 4
    1.118 2 6
    1.118 2 7
    1.118 3 5
    1.118 3 8
    1.118 3 9
CH3CH2SH ethanethiol 1.118 1 4
    1.118 1 5
    1.117 1 6
    1.117 2 7
    1.120 2 8
CH3SCH3 Dimethyl sulfide 1.115 2 4
    1.113 2 6
    1.113 2 7
    1.115 3 5
    1.113 3 8
    1.113 3 9
CH3SCH3+ dimethyl sulfide cation 1.127 2 4
    1.126 2 6
    1.126 2 7
    1.127 3 5
    1.126 3 8
    1.126 3 9
CH3CHCH3 Isopropyl radical 1.095 1 4
    1.118 2 5
    1.121 2 7
    1.121 2 8
    1.118 3 6
    1.121 3 9
    1.121 3 10
C3H7 n-Propyl radical 1.090 1 9
    1.090 1 10
    1.127 2 7
    1.127 2 8
    1.117 3 4
    1.117 3 5
    1.117 3 6
C3H7+ cyclopropane, protonated 1.129 1 4
    1.129 1 5
    1.110 2 6
    1.110 2 7
    1.117 3 8
    1.118 3 9
    1.118 3 10
CHF3 Methane, trifluoro- 1.130 1 2
CHCl3 Chloroform 1.116 1 2
CHBrCl2 Methane, bromodichloro- 1.115 1 2
CHFClBr fluorochlorobromomethane 1.122 1 5
CHBrF2 Methane, bromodifluoro- 1.127 1 2
CHBr2F dibromofluoromethane 1.120 1 2
CHFClI fluorochloroiodomethane 1.121 1 2
H2CNCN cyanamide, methylene 1.108 1 5
    1.106 1 6
C2H2O2 Ethanedial 1.112 1 3
    1.112 2 4
C3H2O Propadienal 1.103 1 5
    1.103 1 6
CH3NO2 Methane, nitro- 1.120 1 3
    1.119 1 4
    1.119 1 5
CH3NCO methylisocyante 1.124 1 5
    1.124 1 6
    1.124 1 7
CH2CHCHO Acrolein 1.115 1 5
    1.103 2 6
    1.099 3 7
    1.099 3 8
CH3CHF2 Ethane, 1,1-difluoro- 1.132 1 3
    1.115 2 6
    1.114 2 7
    1.114 2 8
C2H4F2 1,2-difluoroethane 1.124 1 5
    1.124 1 6
    1.124 2 7
    1.124 2 8
CH2BrCH2Br Ethane, 1,2-dibromo- 1.116 1 5
    1.116 1 6
    1.116 2 7
    1.116 2 8
CH2BrCH2Cl 1-bromo-2-chloroethane 1.116 1 5
    1.116 1 6
    1.117 2 7
    1.117 2 8
C2H5CN ethyl cyanide 1.117 1 5
    1.117 1 6
    1.117 1 7
    1.126 2 8
    1.126 2 9
CH3C(OH)=NH Ethaninidic acid 1.116 2 5
    1.117 2 6
    1.117 2 7
CH3CSNH2 Ethanethioamide 1.118 3 5
    1.119 3 6
    1.119 3 7
CH2FCH2OH 2-fluoroethanol 1.122 1 5
    1.122 1 6
    1.124 2 7
    1.125 2 8
CH2CHCH2F Allyl Fluoride 1.127 1 8
    1.127 1 9
    1.102 2 7
    1.098 3 5
    1.098 3 6
C4H6 1-Methylcyclopropene 1.492 1 2
    3.391 4 6
    1.827 5 6
    4.226 7 10
    1.818 8 10
    1.814 9 10
H2NCHCHNH2 diaminoethylene 1.106 1 5
    1.106 2 6
CH3COCH3- acetone anion 1.117 3 5
    1.123 3 7
    1.123 3 8
    1.117 4 6
    1.123 4 9
    1.123 4 10
C3H6O Oxetane 1.109 2 5
    1.109 2 6
    1.111 3 7
    1.111 3 8
    1.111 4 9
    1.111 4 10
CH3SOCH3 Dimethyl sulfoxide 1.113 3 5
    1.116 3 7
    1.114 3 9
    1.113 4 6
    1.116 4 8
    1.114 4 10
CH2FCH2CH3 1-Fluoropropane 1.126 1 5
    1.126 1 6
    1.121 2 7
    1.121 2 8
    1.116 3 9
    1.117 3 10
    1.117 3 11
C3H7OH 1-Propanol 1.116 1 5
    1.117 1 6
    1.117 1 7
    1.122 2 8
    1.121 2 9
    1.123 3 10
    1.124 3 11
(CH3)3NH+ protonated trimethyl amine 1.123 3 6
    1.123 3 9
    1.123 3 10
    1.123 4 7
    1.123 4 11
    1.123 4 12
CHOOCHO diformyl ether 1.104 2 6
CHCl2CHO dichloroacetaldehyde 1.119 1 3
    1.111 2 7
C2H2N2O Furazan 1.089 4 6
    1.089 5 7
C3H3NO Isoxazole 1.084 1 6
    1.091 2 7
    1.084 3 8
C3H3NS Thiazole 1.093 2 6
    1.087 3 7
    1.096 5 8
CHF2CH2F Ethane, 1,1,2-trifluoro 1.123 1 6
    1.124 1 7
    1.131 2 8
C4H4N pyrrolide radical 1.091 2 6
    1.091 3 7
    1.086 4 8
    1.086 5 9
HOCH2COOH Hydroxyacetic acid 1.124 1 6
    1.124 1 7
C4H4O Furan 1.085 2 6
    1.085 3 7
    1.086 4 8
    1.086 5 9
C4H5N Pyrrole 1.089 3 7
    1.089 4 8
    1.085 5 9
    1.085 6 10
CH3OCH2CN Methoxyacetonitrile 1.119 1 6
    1.118 1 7
    1.118 1 8
    1.127 3 9
    1.126 3 10
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.098 1 6
    1.097 1 7
    1.106 3 8
    1.099 4 9
    1.098 4 10
C5H6 Propellane 1.104 1 6
    1.104 1 7
    1.104 3 8
    1.104 3 9
    1.104 4 10
    1.104 4 11
C4H6N+ pyrrole, beta-protonated 1.104 2 7
    1.098 3 8
    1.126 4 9
    1.126 4 11
    1.093 5 10
C2H6O2S Dimethyl sulfone 1.120 4 6
    1.117 4 8
    1.117 4 9
    1.120 5 7
    1.117 5 10
    1.117 5 11
CH2FCH2CH2F 1,3-difluoropropane 1.120 1 6
    1.120 1 7
    1.126 2 8
    1.125 2 9
    1.126 3 10
    1.125 3 11
CH3CCl2CH3 Propane, 2,2-dichloro- 1.117 4 6
    1.118 4 8
    1.118 4 9
    1.117 5 7
    1.118 5 10
    1.118 5 11
C5H8 Bicyclo[1.1.1]pentane 1.085 1 6
    1.104 2 8
    1.104 2 9
    1.104 3 10
    1.104 3 11
    1.104 4 12
    1.104 4 13
    1.085 5 7
C3H8O2 1,3-Propanediol 1.121 1 4
    1.120 1 5
    1.123 2 10
    1.124 2 11
    1.124 3 12
    1.124 3 13
C4H9SH 1-Butanethiol 1.117 2 7
    1.117 2 8
    1.123 3 9
    1.123 3 10
    1.122 4 11
    1.122 4 12
    1.117 5 13
    1.117 5 14
    1.117 5 15
C3H2O3 vinylene carbonate 1.085 5 7
    1.085 6 8
CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- 1.119 1 3
    1.119 2 4
CH2ClCCl3 1,1,1,2-tetrachloroethane 1.119 2 7
    1.119 2 8
C6H6 Dewar Benzene 1.520 2 7
    1.520 2 8
    1.357 5 8
    1.080 5 9
    1.357 6 7
    1.080 6 10
C4H6O2 γ–Butyrolactone 1.118 2 7
    1.118 2 8
    1.117 3 9
    1.117 3 10
    1.119 4 11
    1.119 4 12
C3H6O3 1,3,5-Trioxane 1.121 1 7
    1.123 1 8
    1.121 2 9
    1.123 2 10
    1.121 3 11
    1.123 3 12
C4H6O2 2,3-Butanedione 1.118 3 7
    1.118 3 9
    1.116 3 10
    1.118 4 8
    1.118 4 11
    1.116 4 12
C6H7+ benzene, protonated 1.141 1 7
    1.141 1 8
    1.107 2 9
    1.107 3 10
    1.107 4 11
    1.107 5 12
    1.109 6 13
C4H8O2 Ethyl acetate 1.117 1 7
    1.117 1 8
    1.117 1 9
    1.121 5 10
    1.121 5 11
    1.116 6 12
    1.116 6 13
    1.116 6 14
C5H10O 3-Pentanone 1.123 3 7
    1.123 3 8
    1.123 4 9
    1.123 4 10
    1.116 5 11
    1.117 5 12
    1.117 5 13
    1.116 6 14
    1.117 6 15
    1.117 6 16
C6H12 (E)-2-Hexene 1.118 1 7
    1.119 1 8
    1.119 1 9
    1.103 2 10
    1.102 3 11
    1.124 4 12
    1.124 4 13
    1.122 5 14
    1.122 5 15
    1.117 6 16
    1.117 6 17
    1.117 6 18
C6H12 (E)-hex-3-ene 1.103 1 7
    1.103 2 8
    1.125 3 9
    1.123 3 10
    1.125 4 11
    1.123 4 12
    1.117 5 13
    1.117 5 14
    1.117 5 15
    1.117 6 16
    1.117 6 17
    1.117 6 18
CH(CN)3 tricyanomethane 1.142 1 2
C5H8O2 Acetylacetone 1.122 1 8
    1.122 1 9
    1.117 4 10
    1.119 4 11
    1.118 4 12
    1.117 5 13
    1.119 5 14
    1.118 5 15
C6H12O Oxepane 1.125 2 8
    1.125 2 9
    1.123 3 10
    1.122 3 11
    1.122 4 12
    1.122 4 13
    1.123 5 14
    1.122 5 15
    1.122 6 16
    1.121 6 17
    1.120 7 18
    1.125 7 19
C7H16 3-methylhexane 1.127 1 2
    1.117 3 9
    1.117 3 10
    1.117 3 11
    1.122 4 12
    1.123 4 13
    1.123 5 14
    1.122 5 15
    1.117 6 16
    1.117 6 17
    1.117 6 18
    1.122 7 19
    1.123 7 20
    1.117 8 21
    1.117 8 22
    1.117 8 23
C6H5NO nitrosobenzene 1.102 2 9
    1.100 3 10
    1.101 4 11
    1.100 5 12
    1.102 6 13
C6H5CHO benzaldehyde 1.102 2 10
    1.100 3 11
    1.100 4 12
    1.100 5 13
    1.101 6 14
    1.114 7 9
C8H8 cubane 1.086 1 9
    1.086 2 10
    1.086 3 11
    1.086 4 12
    1.086 5 13
    1.086 6 14
    1.086 7 15
    1.086 8 16
C6H12N2 Triethylenediamine 1.122 3 9
    1.122 3 10
    1.122 4 11
    1.122 4 12
    1.122 5 13
    1.122 5 14
    1.122 6 15
    1.122 6 16
    1.122 7 17
    1.122 7 18
    1.122 8 19
    1.122 8 20
C6H12O2 Hexanoic acid 1.117 1 9
    1.117 1 10
    1.117 1 11
    1.122 2 12
    1.122 2 13
    1.122 3 14
    1.122 3 15
    1.122 4 16
    1.122 4 17
    1.123 5 18
    1.123 5 19
C8H14 Bicyclo[2.2.2]octane 1.121 1 9
    1.121 2 10
    1.120 3 11
    1.120 3 12
    1.120 4 13
    1.120 4 14
    1.120 5 15
    1.120 5 16
    1.120 6 17
    1.120 6 18
    1.120 7 19
    1.120 7 20
    1.120 8 21
    1.120 8 22
C8H16 cyclooctane 1.126 1 9
    1.122 1 14
    1.123 2 10
    1.125 2 12
    1.123 3 11
    1.125 3 13
    1.125 4 15
    1.122 4 17
    1.125 5 16
    1.122 5 18
    1.121 6 19
    1.125 6 21
    1.121 7 20
    1.125 7 22
    1.123 8 23
    1.124 8 24
(CH3)3CC(CH3)3 tetramethylbutane 1.118 3 9
    1.115 3 10
    1.115 3 11
    1.118 4 12
    1.115 4 13
    1.115 4 14
    1.118 5 15
    1.115 5 16
    1.115 5 17
    1.118 6 18
    1.115 6 19
    1.115 6 20
    1.118 7 21
    1.115 7 22
    1.115 7 23
    1.118 8 24
    1.115 8 25
    1.115 8 26
C9H12 n-propyl benzene 1.102 1 10
    1.101 2 11
    1.100 3 12
    1.101 4 13
    1.102 5 14
    1.122 7 15
    1.122 7 16
    1.121 8 17
    1.121 8 18
    1.118 9 19
    1.118 9 20
    1.118 9 21
C10H8 Azulene 1.111 1 11
    1.090 2 12
    1.109 3 13
    1.109 4 14
    1.110 5 15
    1.110 6 16
    1.088 9 17
    1.088 10 18
C12H10N2 azobenzene 1.102 5 15
    1.102 6 16
    1.102 7 17
    1.102 8 18
    1.100 9 19
    1.100 10 20
    1.100 11 21
    1.100 12 22
    1.100 13 23
    1.100 14 24
C14H14 Bibenzyl 2.169 1 15
    2.169 2 16
    3.668 3 20
    4.258 4 21
    3.276 5 17
    3.276 6 18
    3.415 7 19
    1.100 8 22
    3.411 11 23
    3.411 12 24
    8.061 13 26
    1.099 13 27
    8.061 14 25
    1.099 14 28
C19H16 Triphenylmethane 1.135 1 2
    1.102 6 21
    1.102 7 22
    1.102 8 23
    1.100 9 24
    1.100 10 25
    1.100 11 26
    1.100 12 27
    1.100 13 28
    1.100 14 29
    1.100 15 30
    1.100 16 31
    1.100 17 32
    1.099 18 33
    1.099 19 34
    1.099 20 35