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Compare Calculated Bonds for H-C

17 01 10 14 40

CCSD(T)/6-311G**

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


Values greater than 5.50 are in the 5.50 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 700 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 line line
histogram chart 600 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 500 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 400 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 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 line line line line line line line line line line line line histogram chart line line histogram chart line line line line line line line
1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.106 0.194

  Species Name Bond Length (Å)
Lowest value HCNO fulminic acid 1.064
Highest value CH3CH2CH2CH3 Butane 4.740

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH Methylidyne 1.129 1 2
CH4 Methane 1.094 1 2
    1.094 1 3
    1.094 1 4
    1.094 1 5
C2H- Ethynyl anion 1.076 1 3
HCN Hydrogen cyanide 1.070 1 2
HCN+ hydrogen cyanide cation 1.095 1 2
HCO- formyl anion 1.367 1 2
HCO Formyl radical 1.128 1 2
HCO+ Formyl cation 1.096 1 2
C2H2 Acetylene 1.067 1 3
    1.067 2 4
C2H2+ acetylene cation 1.084 1 3
    1.084 2 4
CCH2 vinylidene 1.091 1 3
    1.091 1 4
H2CO- formaldehyde anion 1.138 2 3
    1.138 2 4
H2CO Formaldehyde 1.109 2 3
    1.109 2 4
H2CO+ formaldehyde cation 1.118 2 3
    1.118 2 4
H2CS Thioformaldehyde 1.093 2 3
    1.093 2 4
H2CS+ thioformaldehyde cation 1.097 2 3
    1.097 2 4
H2CSe Selenoformaldehyde 1.091 1 3
    1.091 1 4
CH2F fluoromethyl radical 1.086 1 3
    1.086 1 4
CH2F+ fluoromethyl cation 1.097 1 3
    1.097 1 4
CH2Cl+ chloromethyl cation 1.093 1 3
    1.093 1 4
CH2Cl chloromethyl radical 1.081 1 3
    1.081 1 4
CH2Br bromomethyl radical 1.081 1 3
    1.081 1 4
CH3Li methyl lithium 1.104 2 3
    1.104 2 4
    1.104 2 5
C2H3 vinyl 1.085 1 3
    1.096 2 4
    1.090 2 5
C2H3+ vinyl cation 1.289 1 2
    1.289 1 3
    1.082 2 4
    1.082 3 5
CuCH3 monomethyl copper 1.098 2 3
    1.098 2 4
    1.098 2 5
CH2NH Methanimine 1.098 1 3
    1.093 1 4
CH2NH+ Methanimine cation 1.106 1 3
    1.100 1 4
CHNH2 aminomethylene 1.116 1 3
CH3O- methoxy anion 1.160 1 3
    1.160 1 4
    1.160 1 5
CH2OH+ hydroxymethyl cation 1.092 1 3
    1.095 1 4
CH3F Methyl fluoride 1.096 1 3
    1.096 1 4
    1.096 1 5
CH3F+ methyl fluoride cation 1.090 1 3
    1.175 1 4
    1.175 1 5
CH3Cl Methyl chloride 1.091 1 3
    1.091 1 4
    1.091 1 5
CH3Cl+ Methyl chloride cation 1.110 1 3
    1.092 1 4
    1.092 1 5
CH3Br methyl bromide 1.091 1 3
    1.091 1 4
    1.091 1 5
CH3I methyl iodide 1.090 1 3
    1.090 1 4
    1.090 1 5
C2H4 Ethylene 1.089 1 3
    1.089 1 4
    1.089 2 5
    1.089 2 6
C2H4+ Ethylene cation 1.092 1 3
    1.092 1 4
    1.092 2 5
    1.092 2 6
CH3OH+ Methyl alcohol cation 1.088 1 3
    1.116 1 4
    1.116 1 5
CH3SH Methanethiol 1.094 1 4
    1.093 1 5
    1.093 1 6
CH3NH2 methyl amine 1.104 1 3
    1.097 1 4
    1.097 1 5
CH3SH2+ protonated methylsulfide 1.091 1 3
    1.093 1 4
    1.093 1 5
C2H6 Ethane 1.097 1 3
    1.097 1 4
    1.097 1 5
    1.097 2 6
    1.097 2 7
    1.097 2 8
HCNO fulminic acid 1.064 3 4
HCCO ketenyl radical 1.079 2 4
HFCO formyl fluoride 1.097 1 4
CHF2 difluoromethyl radical 1.091 1 2
CHF2+ difluoromethyl cation 1.096 1 2
HCCF Fluoroacetylene 1.065 2 4
CHCl2+ dichloromethyl cation 1.092 1 2
CHFCl Chlorofluoromethyl radical 1.087 1 2
CHFCl+ Chlorofluoromethyl cation 1.094 1 2
HCCBr bromoacetylene 1.067 1 4
CHBr2 dibromomethyl radical 1.084 1 2
CH2NN diazomethane 1.080 1 4
    1.080 1 5
HCOOH Formic acid 1.100 1 4
C2H2O Oxirene 1.074 2 4
    1.074 3 5
CH2O2 Dioxirane 1.092 1 2
    1.092 1 3
CH2CO Ketene 1.082 1 4
    1.082 1 5
HCCOH ethynol 1.065 2 4
CH2CS Thioketene 1.087 1 4
    1.087 1 5
CH2F2 Methane, difluoro- 1.094 1 2
    1.094 1 3
CH2Cl2 Methylene chloride 1.088 1 2
    1.088 1 3
CH2Br2 dibromomethane 1.088 1 2
    1.088 1 3
CH2BrCl Methane, bromochloro- 1.088 1 4
    1.088 1 5
CH2BrF Methane, bromofluoro- 1.091 1 4
    1.091 1 5
CH2I2 Diiodomethane 1.088 1 4
    1.088 1 5
CH2FI fluoroiodomethane 1.091 1 4
    1.091 1 5
CH3CN- acetonitrile anion 1.102 1 4
    1.108 1 5
    1.108 1 6
CH3CN Acetonitrile 1.095 1 4
    1.095 1 5
    1.095 1 6
CHNCH2 2H-Azirine 1.085 2 4
    1.088 3 5
    1.088 3 6
HCNCH2+ 2H-Azirine cation 1.088 2 4
    1.087 3 5
    1.087 3 6
CHNHCH 1H-Azirine 1.077 2 5
    1.077 3 6
CH3NC methyl isocyanide 1.094 1 4
    1.094 1 5
    1.094 1 6
HCCNH2 Ethynamine 1.066 1 4
HOCHNH hydroxymethylimine 1.100 1 4
CH2COH+ ketene, protonated 1.092 1 4
    1.092 1 5
CHSNH2 thioformamide 1.095 1 4
NHCHSH Methanimidothioic acid 1.098 2 5
CH2CHF Ethene, fluoro- 1.087 1 4
    1.086 2 5
    1.085 2 6
CH2FOH fluoromethanol 1.099 1 4
    1.093 1 5
CH3MgBr Methyl Magnesium Bromide 1.099 1 4
    1.099 1 5
    1.099 1 6
C2H3Br vinyl bromide 1.086 1 4
    1.088 2 5
    1.087 2 6
CH3CCH propyne 1.096 1 5
    1.096 1 6
    1.096 1 7
    1.067 3 4
CH2CCH2 allene 1.089 2 4
    1.089 2 5
    1.089 3 6
    1.089 3 7
C3H4 cyclopropene 1.093 1 6
    1.093 1 7
    1.080 2 4
    1.080 3 5
CH3CHO Acetaldehyde 1.114 1 4
    1.094 2 5
    1.099 2 6
    1.099 2 7
CH3CHO+ acetaldehyde cation 1.117 1 4
    1.091 2 5
    1.098 2 6
    1.098 2 7
C2H4O Ethylene oxide 1.090 2 4
    1.090 2 5
    1.090 3 6
    1.090 3 7
C2H4O+ ethylene oxide cation 1.093 2 4
    1.093 2 5
    1.093 3 6
    1.093 3 7
NH2CHOH+ Formamide, O-protonated 1.089 1 4
C2H4S Thiirane 1.087 2 4
    1.087 2 5
    1.087 3 6
    1.087 3 7
CH3SSH Hydrogen methyl disulfide 1.093 1 5
    1.096 1 6
    1.094 1 7
HSCH2SH Methanedithiol 1.093 1 4
    1.093 1 5
CH2CH2Cl 2-chloroethyl radical 1.086 1 4
    1.086 1 5
    1.092 2 6
    1.092 2 7
C3H5 Allyl radical 1.091 1 2
    1.086 3 5
    1.089 3 7
    1.089 4 8
    1.086 4 6
C2H5F fluoroethane 1.097 1 4
    1.097 1 5
    1.098 2 6
    1.096 2 7
    1.096 2 8
C2H5Br Ethyl bromide 1.099 1 6
    1.096 1 7
    1.096 1 8
    1.093 2 4
    1.093 2 5
C3H6 Cyclopropane 1.087 1 4
    1.087 1 7
    1.087 2 8
    1.087 2 5
    1.087 3 6
    1.087 3 9
CH2CHCH3 Propene 1.097 1 7
    1.099 1 8
    1.099 1 9
    1.092 2 6
    1.090 3 4
    1.088 3 5
CH3CH2SH ethanethiol 1.098 1 4
    1.097 1 5
    1.096 1 6
    1.095 2 7
    1.096 2 8
CH3SCH3 Dimethyl sulfide 1.095 2 4
    1.096 2 6
    1.096 2 7
    1.096 3 8
    1.096 3 9
    1.095 3 5
CH3SCH3+ dimethyl sulfide cation 1.092 2 4
    1.097 2 6
    1.097 2 7
    1.097 3 8
    1.097 3 9
    1.092 3 5
CH3SeCH3 dimethylselenide 1.094 2 4
    1.094 2 6
    1.094 2 7
    1.094 3 8
    1.094 3 9
    1.094 3 5
CH3CHCH3 Isopropyl radical 1.090 1 4
    1.100 2 5
    1.106 2 7
    1.097 2 8
    1.106 3 9
    1.097 3 10
    1.100 3 6
CH3CHCH3+ Isopropyl cation 1.097 1 2
    1.093 3 5
    1.123 3 7
    1.096 3 8
    1.123 4 9
    1.096 4 10
    1.093 4 6
C3H7 n-Propyl radical 1.087 1 9
    1.089 1 10
    1.106 2 7
    1.100 2 8
    1.097 3 4
    1.097 3 5
    1.098 3 6
CH3PHCH3 dimethylphosphine 1.097 3 5
    1.096 3 7
    1.097 3 9
    1.097 4 10
    1.096 4 8
    1.097 4 6
CHF3 Methane, trifluoro- 1.091 1 2
CHBrCl2 Methane, bromodichloro- 1.085 1 2
CHFClBr fluorochlorobromomethane 1.088 1 5
CHBrF2 Methane, bromodifluoro- 1.089 1 2
CHBr2F dibromofluoromethane 1.087 1 2
CHFClI fluorochloroiodomethane 1.088 1 2
H2CNCN cyanamide, methylene 1.090 1 5
    1.095 1 6
C2H2O2 Ethanedial 1.109 1 3
    1.109 2 4
C3H2O Propadienal 1.093 1 5
    1.090 1 6
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.084 1 5
    1.084 2 6
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.085 1 5
    1.085 2 6
CHFCHClz (Z)-1-Chloro-2-fluoroethene 1.083 1 5
    1.086 2 6
CHFCHCl (E)-1-chloro-2-fluoroethene 1.084 1 5
    1.086 2 6
C2H2ClF 1-chloro-1-fluoroethylene 1.085 2 5
    1.083 2 6
CH3NO2 Methane, nitro- 1.094 1 3
    1.090 1 4
    1.090 1 5
HOCH2CN cyanomethanol 1.100 1 4
    1.094 1 5
CH3NCO methylisocyante 1.093 1 5
    1.096 1 6
    1.096 1 7
NH2CH2CN Aminoacetonitrile 1.096 2 7
    1.096 2 8
CH2CHCHO Acrolein 1.114 1 5
    1.090 2 6
    1.087 3 7
    1.091 3 8
CHOCH2OH hydroxy acetaldehyde 1.103 1 6
    1.103 1 7
    1.109 2 8
CH3CHF2 Ethane, 1,1-difluoro- 1.095 1 3
    1.095 2 6
    1.095 2 7
    1.095 2 8
C2H4F2 1,2-difluoroethane 1.098 1 5
    1.096 1 6
    1.098 2 7
    1.096 2 8
CH2BrCH2Br Ethane, 1,2-dibromo- 1.092 1 5
    1.092 1 6
    1.092 2 7
    1.092 2 8
CH2BrCH2Cl 1-bromo-2-chloroethane 1.091 1 5
    1.091 1 6
    1.092 2 7
    1.092 2 8
C2H5CN ethyl cyanide 1.096 1 5
    1.096 1 6
    1.096 1 7
    1.097 2 8
    1.097 2 9
CH3C(OH)=NH Ethaninidic acid 1.094 2 5
    1.096 2 6
    1.096 2 7
CH2FCH2OH 2-fluoroethanol 1.097 1 5
    1.102 1 6
    1.097 2 7
    1.096 2 8
CH2CHCH2F Allyl Fluoride 1.099 1 8
    1.099 1 9
    1.092 2 7
    1.087 3 5
    1.087 3 6
C4H6 Bicyclo[1.1.0]butane 1.082 1 5
    1.082 2 6
    1.091 3 7
    1.095 3 9
    1.095 4 10
    1.091 4 8
H2NCHCHNH2 diaminoethylene 1.092 1 5
    1.092 2 6
CH3CH2CHO Propanal 1.096 1 5
    1.096 1 6
    1.096 1 7
    1.102 2 8
    1.102 2 9
    1.114 3 10
C3H6O Acetone enol 1.094 1 5
    1.097 1 6
    1.097 1 7
    1.085 3 8
    1.089 3 9
CH7N3 triaminomethane 1.098 1 2
CH3CHFCH3 2-Fluoropropane 1.099 1 3
    1.097 4 10
    1.096 4 8
    1.096 5 9
    1.097 5 11
    1.097 5 7
CH2FCH2CH3 1-Fluoropropane 1.097 1 5
    1.099 1 6
    1.099 2 7
    1.100 2 8
    1.097 3 9
    1.096 3 10
    1.099 3 11
CH2CHCH2CH3 1-Butene 1.097 1 6
    1.098 1 7
    1.098 1 8
    1.101 2 9
    1.099 2 10
    1.094 3 5
    1.090 4 11
    1.088 4 12
C3H7OH 1-Propanol 1.097 1 5
    1.099 1 6
    1.095 1 7
    1.099 2 8
    1.100 2 9
    1.104 3 10
    1.103 3 11
NH2CH2CH2CH3 1-Propanamine 1.097 1 5
    1.099 1 6
    1.099 1 7
    1.101 2 8
    1.101 2 9
    1.100 3 10
    1.100 3 11
CH3CH2CH2CH3 Butane 1.101 1 5
    1.101 1 6
    1.101 2 7
    1.101 2 8
    1.098 3 9
    1.099 3 11
    4.740 3 12
    1.099 4 13
    1.099 4 14
    4.245 4 10
C2HF3 Trifluoroethylene 1.082 2 6
CHOOCHO diformyl ether 1.104 2 6
CHCl2CHO dichloroacetaldehyde 1.093 1 3
    1.109 2 7
CH2ClCCCl 1,3-dichloropropyne 1.093 3 6
    1.093 3 7
CHCl2CCH 3,3-dichloropropyne 1.068 1 6
    1.090 3 7
C2H2N2O Furazan 1.082 4 6
    1.082 5 7
C3H3NS Thiazole 1.086 2 6
    1.083 3 7
    1.085 5 8
CHF2CH2F Ethane, 1,1,2-trifluoro 1.095 1 6
    1.095 1 7
    1.095 2 8
C5H4 pentatetraene 1.089 4 6
    1.089 4 7
    1.089 5 8
    1.089 5 9
C3H4N2 2H-Imidazole 1.096 1 6
    1.096 1 7
    1.085 4 8
    1.085 5 9
CH3COCCH 3-butyn-2-one 1.094 1 6
    1.097 1 7
    1.097 1 8
    1.068 5 9
C4H4Se selenophene 1.084 2 6
    1.084 3 7
    1.087 4 8
    1.087 5 9
CH3SO2NH2 methanesulfonamide 1.093 1 6
    1.092 1 7
    1.092 1 8
CH2CClCHCH2 1,3-Butadiene, 2-chloro- 1.088 1 6
    1.086 1 7
    1.091 3 8
    1.087 4 9
    1.087 4 10
C5H6 Propellane 1.090 1 6
    1.090 1 7
    1.090 3 8
    1.090 3 9
    1.090 4 10
    1.090 4 11
C2H6O2S Dimethyl sulfone 1.094 4 6
    1.093 4 8
    1.093 4 9
    1.093 5 10
    1.093 5 11
    1.094 5 7
CH2CHSCHCH2 Divinyl sulfide 1.090 2 6
    1.089 3 7
    1.088 4 8
    1.088 4 9
    1.088 5 10
    1.088 5 11
CH3SSSCH3 dimethyl trisulfide 1.096 4 6
    1.093 4 8
    1.094 4 9
    1.093 5 10
    1.094 5 11
    1.096 5 7
CH2FCH2CH2F 1,3-difluoropropane 1.099 1 6
    1.099 1 7
    1.095 2 8
    1.096 2 9
    1.095 3 10
    1.096 3 11
C5H8 Bicyclo[1.1.1]pentane 1.095 1 6
    1.098 2 8
    1.098 2 9
    1.098 3 10
    1.098 3 11
    1.098 4 12
    1.098 4 13
    1.095 5 7
C4H10O Methyl propyl ether 1.094 1 6
    1.103 1 7
    1.103 1 8
    1.107 3 9
    1.107 3 10
    1.098 4 11
    1.098 4 12
    1.099 5 13
    1.099 5 14
    1.097 5 15
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.098 3 7
    1.098 3 8
    1.098 3 9
    1.100 4 10
    1.097 4 12
    1.098 4 13
    1.097 5 14
    1.098 5 15
    1.100 5 11
C4H9SH 1-Butanethiol 1.096 2 7
    1.096 2 8
    1.100 3 9
    1.100 3 10
    1.101 4 11
    1.101 4 12
    1.097 5 13
    1.098 5 14
    1.098 5 15
C6H2 hexatriyne 1.068 5 7
    1.068 6 8
C3H2O3 vinylene carbonate 1.078 5 7
    1.078 6 8
CH2ClCCl3 1,1,1,2-tetrachloroethane 1.091 2 7
    1.091 2 8
C6H6 Prismane 1.086 1 7
    1.086 2 8
    1.086 3 9
    1.086 4 10
    1.086 5 11
    1.086 6 12
C6H6 Benzvalene 1.084 1 7
    1.084 2 8
    1.088 3 9
    1.088 4 10
    1.085 5 11
    1.085 6 12
C6H6 1,2,4,5-Hexatetraene 1.091 1 7
    1.091 2 8
    1.090 5 9
    1.090 5 10
    1.090 6 11
    1.090 6 12
C3H6O3 1,3,5-Trioxane 1.090 1 7
    1.107 1 8
    1.090 2 9
    1.107 2 10
    1.090 3 11
    1.107 3 12
C5H6O Pentadienal 1.114 1 7
    1.090 3 8
    1.094 4 9
    1.091 5 10
    1.090 6 11
    1.087 6 12
C3H6S3 1,3,5-Trithiane 1.097 1 7
    1.094 1 10
    1.094 2 11
    1.097 2 8
    1.097 3 9
    1.094 3 12
C6H7+ benzene, protonated 1.110 1 7
    1.110 1 8
    1.090 2 9
    1.090 3 10
    1.087 4 11
    1.087 5 12
    1.091 6 13
C5H10O 3-Pentanone 1.101 3 7
    1.101 3 8
    1.101 4 9
    1.101 4 10
    1.097 5 11
    1.096 5 12
    1.096 5 13
    1.097 6 14
    1.096 6 15
    1.096 6 16
CH(CN)3 tricyanomethane 1.100 1 2
CF3CHF2 pentafluoroethane 1.094 2 8
C7H7+ cycloheptatrienyl cation 1.090 1 8
    1.090 2 9
    1.090 3 10
    1.090 4 11
    1.090 5 12
    1.090 6 13
    1.090 7 14
C6H4Cl2 1,4-dichlorobenzene 1.087 3 9
    1.087 4 10
    1.087 5 11
    1.087 6 12
C6H5NO nitrosobenzene 1.087 2 9
    1.089 3 10
    1.089 4 11
    1.088 5 12
    1.088 6 13
C6H5CHO benzaldehyde 1.088 2 10
    1.089 3 11
    1.089 4 12
    1.089 5 13
    1.091 6 14
    1.114 7 9