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Compare Calculated Bonds for C-H

17 01 10 14 40

MP4/daug-cc-pVTZ

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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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
1.092 0.024

  Species Name Bond Length (Å)
Lowest value CH3CCH propyne 1.064
Highest value C2H3+ vinyl cation 1.283

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3- methyl anion 1.101 1 2
    1.101 1 3
    1.101 1 4
CH4 Methane 1.090 1 2
    1.090 1 3
    1.090 1 4
    1.090 1 5
C2H- Ethynyl anion 1.072 1 3
HCN Hydrogen cyanide 1.068 1 2
C2H2+ acetylene cation 1.079 1 3
    1.079 2 4
H2CO Formaldehyde 1.104 2 3
    1.104 2 4
H2CO+ formaldehyde cation 1.111 2 3
    1.111 2 4
H2CS Thioformaldehyde 1.089 2 3
    1.089 2 4
CH2F+ fluoromethyl cation 1.094 1 3
    1.094 1 4
CH2Cl+ chloromethyl cation 1.089 1 3
    1.089 1 4
CH2Cl chloromethyl radical 1.076 1 3
    1.076 1 4
CH2Br bromomethyl radical 1.076 1 3
    1.076 1 4
CH3Li methyl lithium 1.100 2 3
    1.100 2 4
    1.100 2 5
C2H3+ vinyl cation 1.283 1 2
    1.283 1 3
    1.079 2 4
    1.079 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
CH3F+ methyl fluoride cation 1.086 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
CH3OH+ Methyl alcohol cation 1.084 1 3
    1.112 1 4
    1.112 1 5
C2H6 Ethane 1.093 1 3
    1.093 1 4
    1.093 1 5
    1.093 2 6
    1.093 2 7
    1.093 2 8
HCCO ketenyl radical 1.079 2 4
CHF2+ difluoromethyl cation 1.095 1 2
CHCl2+ dichloromethyl cation 1.090 1 2
CHFCl Chlorofluoromethyl radical 1.083 1 2
CHFCl+ Chlorofluoromethyl cation 1.093 1 2
HCOOH Formic acid 1.103 1 4
C2H2O Oxirene 1.071 2 4
    1.071 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 1.085 1 2
    1.085 1 3
CH2Br2 dibromomethane 1.084 1 2
    1.084 1 3
CH3CN- acetonitrile anion 1.091 1 4
    1.091 1 5
    1.091 1 6
CH3CN Acetonitrile 1.090 1 4
    1.090 1 5
    1.090 1 6
HCNCH2+ 2H-Azirine cation 1.086 2 4
    1.083 3 5
    1.083 3 6
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 1.092 1 5
    1.092 1 6
    1.092 1 7
    1.064 3 4
C3H4 cyclopropene 1.088 1 6
    1.088 1 7
    1.076 2 4
    1.076 3 5
CH3CHO Acetaldehyde 1.109 1 4
    1.090 2 5
    1.094 2 6
    1.094 2 7
CH3CHO+ acetaldehyde cation 1.111 1 4
    1.087 2 5
    1.096 2 6
    1.096 2 7
C2H4O Ethylene oxide 1.085 2 4
    1.085 2 5
    1.085 3 6
    1.085 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 1.085 1 4
C2H4S Thiirane 1.083 2 4
    1.083 2 5
    1.083 3 6
    1.083 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
CH2CHCH3 Propene 1.093 1 7
    1.094 1 8
    1.094 1 9
    1.088 2 6
    1.086 3 4
    1.084 3 5
CH3CH2SH ethanethiol 1.093 1 4
    1.092 1 5
    1.092 1 6
    1.091 2 7
    1.091 2 8
CHBrF2 Methane, bromodifluoro- 1.088 1 2
CHBr2F dibromofluoromethane 1.086 1 2
H2CNCN cyanamide, methylene 1.085 1 5
    1.091 1 6
C3H2O Propadienal 1.089 1 5
    1.087 1 6
C2H4F2 1,2-difluoroethane 1.091 1 5
    1.091 1 6
    1.091 2 7
    1.091 2 8
CH2CHCH2F Allyl Fluoride 1.095 1 8
    1.095 1 9
    1.087 2 7
    1.083 3 5
    1.083 3 6
CH3CH2CHO Propanal 1.092 1 5
    1.092 1 6
    1.092 1 7
    1.098 2 8
    1.098 2 9
    1.110 3 10
CHOOCHO diformyl ether 1.100 2 6
C2H2N2O Furazan 1.078 4 6
    1.078 5 7
C5H4 pentatetraene 1.085 4 6
    1.085 4 7
    1.085 5 8
    1.085 5 9
C6H6 Prismane 1.081 1 7
    1.081 2 8
    1.081 3 9
    1.081 4 10
    1.081 5 11
    1.081 6 12