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Compare Calculated Bonds for C-H

17 01 10 14 40

MP4/6-311+G(3df,2p)

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


Values greater than 1.30 are in the 1.30 bin. Values less than 1.06 are in the 1.06 bin.

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histogram chart 50 line line line line histogram chart line 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 line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line line histogram chart line line line line line line line line histogram chart line line line line
1.06 1.08 1.10 1.12 1.14 1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.091 0.018

  Species Name Bond Length (Å)
Lowest value HCCNH2 Ethynamine 1.064
Highest value C2H3+ vinyl cation 1.282

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH4 Methane 1.089 1 2
    1.089 1 3
    1.089 1 4
    1.089 1 5
C2H- Ethynyl anion 1.073 1 3
HCN Hydrogen cyanide 1.069 1 2
HCN+ hydrogen cyanide cation 1.092 1 2
HCO- formyl anion 1.217 1 2
C2H2 Acetylene 1.065 1 3
    1.065 2 4
C2H2+ acetylene cation 1.080 1 3
    1.080 2 4
H2CO- formaldehyde anion 1.105 2 3
    1.105 2 4
H2CO Formaldehyde 1.105 2 3
    1.105 2 4
H2CO+ formaldehyde cation 1.112 2 3
    1.112 2 4
H2CS- thioformaldehyde anion 1.089 2 3
    1.089 2 4
H2CS Thioformaldehyde 1.090 2 3
    1.090 2 4
CH2F fluoromethyl radical 1.080 1 3
    1.080 1 4
CH2F+ fluoromethyl cation 1.094 1 3
    1.094 1 4
CH2Cl+ chloromethyl cation 1.090 1 3
    1.090 1 4
CH2Cl chloromethyl radical 1.076 1 3
    1.076 1 4
CH2Br bromomethyl radical 1.077 1 3
    1.077 1 4
CH3Li methyl lithium 1.100 2 3
    1.100 2 4
    1.100 2 5
C2H3 vinyl 1.079 1 3
    1.092 2 4
    1.085 2 5
C2H3+ vinyl cation 1.282 1 2
    1.282 1 3
    1.080 2 4
    1.080 3 5
CH2NH Methanimine 1.093 1 3
    1.089 1 4
CH2NH+ Methanimine cation 1.102 1 3
    1.096 1 4
CHNH2 aminomethylene 1.109 1 3
CH3O- methoxy anion 1.132 1 3
    1.132 1 4
    1.132 1 5
CH2OH+ hydroxymethyl cation 1.088 1 3
    1.090 1 4
CH3F+ methyl fluoride cation 1.087 1 3
    1.175 1 4
    1.175 1 5
CH3Cl Methyl chloride 1.087 1 3
    1.087 1 4
    1.087 1 5
CH3Br methyl bromide 1.086 1 3
    1.086 1 4
    1.086 1 5
C2H4 Ethylene 1.084 1 3
    1.084 1 4
    1.084 2 5
    1.084 2 6
C2H4+ Ethylene cation 1.086 1 3
    1.086 1 4
    1.086 2 5
    1.086 2 6
CH3OH+ Methyl alcohol cation 1.083 1 3
    1.114 1 4
    1.114 1 5
C2H6 Ethane 1.092 1 3
    1.092 1 4
    1.092 1 5
    1.092 2 6
    1.092 2 7
    1.092 2 8
HCCO ketenyl radical 1.079 2 4
CHF2+ difluoromethyl cation 1.095 1 2
CHCl2+ dichloromethyl cation 1.091 1 2
CHFCl Chlorofluoromethyl radical 1.084 1 2
CHFCl+ Chlorofluoromethyl cation 1.093 1 2
HCCBr bromoacetylene 1.065 1 4
CHBr2 dibromomethyl radical 1.081 1 2
HCOOH Formic acid 1.097 1 4
C2H2O Oxirene 1.072 2 4
    1.072 3 5
CH2CO Ketene 1.079 1 4
    1.079 1 5
CH2CS Thioketene 1.083 1 4
    1.083 1 5
CH2Cl2 Methylene chloride 1.086 1 2
    1.086 1 3
CH2Br2 dibromomethane 1.085 1 2
    1.085 1 3
CH2BrCl Methane, bromochloro- 1.085 1 4
    1.085 1 5
CH3CN- acetonitrile anion 1.093 1 4
    1.093 1 5
    1.093 1 6
CH3CN Acetonitrile 1.090 1 4
    1.090 1 5
    1.090 1 6
CHNCH2 2H-Azirine 1.082 2 4
    1.085 3 5
    1.085 3 6
HCNCH2+ 2H-Azirine cation 1.086 2 4
    1.083 3 5
    1.083 3 6
CHNHCH 1H-Azirine 1.074 2 5
    1.074 3 6
HCCNH2 Ethynamine 1.064 1 4
HOCHNH hydroxymethylimine 1.095 1 4
CH2COH+ ketene, protonated 1.089 1 4
    1.089 1 5
CHSNH2 thioformamide 1.093 1 4
NHCHSH Methanimidothioic acid 1.094 2 5
CH2FOH fluoromethanol 1.093 1 4
    1.089 1 5
CH3MgBr Methyl Magnesium Bromide 1.095 1 4
    1.095 1 5
    1.095 1 6
CH3CCH propyne 1.065 3 4
    1.092 1 5
    1.092 1 6
    1.092 1 7
C3H4 cyclopropene 1.077 2 4
    1.077 3 5
    1.089 1 6
    1.089 1 7
CH3CHO Acetaldehyde 1.110 1 4
    1.089 2 5
    1.094 2 6
    1.094 2 7
CH3CHO+ acetaldehyde cation 1.112 1 4
    1.087 2 5
    1.095 2 6
    1.095 2 7
C2H4O Ethylene oxide 1.086 2 4
    1.086 2 5
    1.086 3 6
    1.086 3 7
C2H4O+ ethylene oxide cation 1.088 2 4
    1.088 2 5
    1.088 3 6
    1.088 3 7
NH2CHOH+ Formamide, O-protonated 1.086 1 4
C2H4S Thiirane 1.084 2 4
    1.084 2 5
    1.084 3 6
    1.084 3 7
CH3SSH Hydrogen methyl disulfide 1.089 1 5
    1.093 1 6
    1.090 1 7
HSCH2SH Methanedithiol 1.090 1 4
    1.090 1 5
CH2CH2Cl 2-chloroethyl radical 1.081 1 4
    1.081 1 5
    1.088 2 6
    1.088 2 7
C3H5 Allyl radical 1.087 1 2
    1.081 3 5
    1.081 4 6
    1.084 3 7
    1.084 4 8
C3H6 Cyclopropane 1.083 1 4
    1.083 2 5
    1.083 3 6
    1.083 1 7
    1.083 2 8
    1.083 3 9
CH2CHCH3 Propene 1.086 3 4
    1.084 3 5
    1.089 2 6
    1.092 1 7
    1.094 1 8
    1.094 1 9
CH3CH2SH ethanethiol 1.092 1 4
    1.092 1 5
    1.092 1 6
    1.091 2 7
    1.091 2 8
CH3SCH3+ dimethyl sulfide cation 1.088 2 4
    1.088 3 5
    1.094 2 6
    1.094 2 7
    1.094 3 8
    1.094 3 9
CH3CHCH3 Isopropyl radical 1.084 1 4
    1.095 2 5
    1.095 3 6
    1.101 2 7
    1.092 2 8
    1.101 3 9
    1.092 3 10
CH3CHCH3+ Isopropyl cation 1.092 1 2
    1.088 3 5
    1.088 4 6
    1.120 3 7
    1.091 3 8
    1.120 4 9
    1.091 4 10
C3H8 Propane 1.095 1 4
    1.095 1 5
    1.093 2 6
    1.093 3 7
    1.094 2 8
    1.094 2 9
    1.094 3 10
    1.094 3 11
CHBrF2 Methane, bromodifluoro- 1.089 1 2
CHBr2F dibromofluoromethane 1.088 1 2
H2CNCN cyanamide, methylene 1.086 1 5
    1.091 1 6
C3H2O Propadienal 1.089 1 5
    1.087 1 6
CHFCHClz (Z)-1-Chloro-2-fluoroethene 1.081 1 5
    1.083 2 6
CHFCHCl (E)-1-chloro-2-fluoroethene 1.082 1 5
    1.082 2 6
C2H2ClF 1-chloro-1-fluoroethylene 1.081 2 5
    1.079 2 6
CH3NO2 Methane, nitro- 1.089 1 3
    1.086 1 4
    1.086 1 5
HOCH2CN cyanomethanol 1.095 1 4
    1.090 1 5
CH3NCO methylisocyante 1.088 1 5
    1.091 1 6
    1.091 1 7
C2H4F2 1,2-difluoroethane 1.094 1 5
    1.092 1 6
    1.094 2 7
    1.092 2 8
CH3C(OH)=NH Ethaninidic acid 1.089 2 5
    1.092 2 6
    1.092 2 7
CH2FCH2OH 2-fluoroethanol 1.093 1 5
    1.097 1 6
    1.093 2 7
    1.092 2 8
CH2CHCH2F Allyl Fluoride 1.083 3 5
    1.083 3 6
    1.088 2 7
    1.095 1 8
    1.095 1 9
H2NCHCHNH2 diaminoethylene 1.088 1 5
    1.088 2 6
CH3CH2CHO Propanal 1.091 1 5
    1.091 1 6
    1.091 1 7
    1.098 2 8
    1.098 2 9
    1.111 3 10
C3H6O Acetone enol 1.089 1 5
    1.093 1 6
    1.093 1 7
    1.081 3 8
    1.085 3 9
CH7N3 triaminomethane 1.094 1 2
CH3CHFCH3 2-Fluoropropane 1.095 1 3
    1.093 5 7
    1.091 4 8
    1.091 5 9
    1.093 4 10
    1.093 5 11
CH2FCH2CH3 1-Fluoropropane 1.094 1 5
    1.094 1 6
    1.094 2 7
    1.094 2 8
    1.091 3 9
    1.094 3 10
    1.094 3 11
CH2CHCH2CH3 1-Butene 1.090 3 5
    1.093 1 6
    1.093 1 7
    1.094 1 8
    1.097 2 9
    1.095 2 10
    1.086 4 11
    1.084 4 12
NH2CH2CH2CH3 1-Propanamine 1.092 1 5
    1.094 1 6
    1.094 1 7
    1.097 2 8
    1.097 2 9
    1.096 3 10
    1.096 3 11
CHOOCHO diformyl ether 1.101 2 6
CH2ClCCCl 1,3-dichloropropyne 1.090 3 6
    1.090 3 7
CHCl2CCH 3,3-dichloropropyne 1.066 1 6
    1.089 3 7
C2H2N2O Furazan 1.079 4 6
    1.079 5 7
C3H3NS Thiazole 1.082 2 6
    1.080 3 7
    1.082 5 8
CHF2CH2F Ethane, 1,1,2-trifluoro 1.092 1 6
    1.092 1 7
    1.093 2 8
C5H4 pentatetraene 1.085 4 6
    1.085 4 7
    1.085 5 8
    1.085 5 9
CH3COCCH 3-butyn-2-one 1.089 1 6
    1.093 1 7
    1.093 1 8
    1.066 5 9
C4H4Se selenophene 1.081 2 6
    1.081 3 7
    1.084 4 8
    1.084 5 9
C5H6 Propellane 1.086 1 6
    1.086 1 7
    1.086 3 8
    1.086 3 9
    1.086 4 10
    1.086 4 11
C2H6O2S Dimethyl sulfone 1.091 4 6
    1.091 5 7
    1.090 4 8
    1.090 4 9
    1.090 5 10
    1.090 5 11
C5H8 Bicyclo[1.1.1]pentane 1.092 1 6
    1.092 5 7
    1.094 2 8
    1.094 2 9
    1.094 3 10
    1.094 3 11
    1.094 4 12
    1.094 4 13
C4H10O Methyl propyl ether 1.090 1 6
    1.098 1 7
    1.098 1 8
    1.103 3 9
    1.103 3 10
    1.094 4 11
    1.094 4 12
    1.094 5 13
    1.094 5 14
    1.092 5 15
C4H9SH 1-Butanethiol 1.093 2 7
    1.093 2 8
    1.097 3 9
    1.097 3 10
    1.096 4 11
    1.096 4 12
    1.092 5 13
    1.094 5 14
    1.094 5 15
C3H2O3 vinylene carbonate 1.075 5 7
    1.075 6 8
C6H6 Prismane 1.082 1 7
    1.082 2 8
    1.082 3 9
    1.082 4 10
    1.082 5 11
    1.082 6 12
C6H6 1,2,4,5-Hexatetraene 1.088 1 7
    1.088 2 8
    1.086 5 9
    1.086 5 10
    1.086 6 11
    1.086 6 12
C3H6O3 1,3,5-Trioxane 1.087 1 7
    1.104 1 8
    1.087 2 9
    1.104 2 10
    1.087 3 11
    1.104 3 12
C5H6O Pentadienal 1.111 1 7
    1.087 3 8
    1.091 4 9
    1.087 5 10
    1.085 6 11
    1.083 6 12
C5H10O 3-Pentanone 1.097 3 7
    1.097 3 8
    1.097 4 9
    1.097 4 10
    1.092 5 11
    1.091 5 12
    1.091 5 13
    1.092 6 14
    1.091 6 15
    1.091 6 16
C6H4Cl2 1,4-dichlorobenzene 1.084 3 9
    1.084 4 10
    1.084 5 11
    1.084 6 12