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Compare Calculated Bonds for C-H

17 01 10 14 40

CID/daug-cc-pVTZ

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


Values greater than 1.28 are in the 1.28 bin. Values less than 1.04 are in the 1.04 bin.

histogram chart 140 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 line line line line line line line line
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1.04 1.06 1.08 1.10 1.12 1.14 1.16 1.18 1.20 1.22 1.24 1.26 1.28
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.085 0.025

  Species Name Bond Length (Å)
Lowest value HCNO fulminic acid 1.054
Highest value C2H3+ vinyl cation 1.273

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH Methylidyne 1.118 1 2
CH2- methylene anion 1.117 1 2
    1.117 1 3
CH3- methyl anion 1.097 1 2
    1.097 1 3
    1.097 1 4
CH4 Methane 1.086 1 2
    1.086 1 3
    1.086 1 4
    1.086 1 5
C2H- Ethynyl anion 1.063 1 3
HCN Hydrogen cyanide 1.061 1 2
HCO Formyl radical 1.112 1 2
HCO+ Formyl cation 1.090 1 2
C2H2+ acetylene cation 1.075 1 3
    1.075 2 4
H2CO Formaldehyde 1.096 2 3
    1.096 2 4
H2CO+ formaldehyde cation 1.100 2 3
    1.100 2 4
H2CS Thioformaldehyde 1.081 2 3
    1.081 2 4
H2CSe Selenoformaldehyde 1.078 1 3
    1.078 1 4
CH2F+ fluoromethyl cation 1.088 1 3
    1.088 1 4
CH2Cl+ chloromethyl cation 1.083 1 3
    1.083 1 4
CH2Cl chloromethyl radical 1.070 1 3
    1.070 1 4
CH2Br bromomethyl radical 1.070 1 3
    1.070 1 4
CH3Li methyl lithium 1.095 2 3
    1.095 2 4
    1.095 2 5
C2H3+ vinyl cation 1.273 1 2
    1.273 1 3
    1.074 2 4
    1.074 3 5
CH2NH Methanimine 1.086 1 3
    1.082 1 4
CHNH2 aminomethylene 1.099 1 3
CH3F Methyl fluoride 1.083 1 3
    1.083 1 4
    1.083 1 5
CH3F+ methyl fluoride cation 1.080 1 3
    1.171 1 4
    1.171 1 5
CH3Cl Methyl chloride 1.080 1 3
    1.080 1 4
    1.080 1 5
CH3Br methyl bromide 1.078 1 3
    1.078 1 4
    1.078 1 5
C2H4 Ethylene 1.078 1 3
    1.078 1 4
    1.078 2 5
    1.078 2 6
CH3OH+ Methyl alcohol cation 1.078 1 3
    1.095 1 4
    1.095 1 5
CH3NH2 methyl amine 1.090 1 3
    1.085 1 4
    1.085 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 1.054 3 4
HCCO ketenyl radical 1.065 2 4
CHF2 difluoromethyl radical 1.078 1 2
CHF2+ difluoromethyl cation 1.086 1 2
HCCF Fluoroacetylene 1.055 2 4
CHCl2+ dichloromethyl cation 1.081 1 2
CHFCl Chlorofluoromethyl radical 1.074 1 2
CHFCl+ Chlorofluoromethyl cation 1.084 1 2
HCOOH Formic acid 1.092 1 4
C2H2O Oxirene 1.063 2 4
    1.063 3 5
CH2CO Ketene 1.071 1 4
    1.071 1 5
CH2CS Thioketene 1.075 1 4
    1.075 1 5
CH2F2 Methane, difluoro- 1.081 1 2
    1.081 1 3
CH2Cl2 Methylene chloride 1.075 1 2
    1.075 1 3
CH2Br2 dibromomethane 1.074 1 2
    1.074 1 3
CH2BrCl Methane, bromochloro- 1.074 1 4
    1.074 1 5
CH3CN Acetonitrile 1.082 1 4
    1.082 1 5
    1.082 1 6
NHCHSH Methanimidothioic acid 1.084 2 5
CH2CHF Ethene, fluoro- 1.074 1 4
    1.073 2 5
    1.072 2 6
CH2FOH fluoromethanol 1.084 1 4
    1.080 1 5
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
C3H4 cyclopropene 1.081 1 6
    1.081 1 7
    1.068 2 4
    1.068 3 5
CH3CHO Acetaldehyde 1.099 1 4
    1.081 2 5
    1.086 2 6
    1.086 2 7
CH3CHO+ acetaldehyde cation 1.097 1 4
    1.079 2 5
    1.088 2 6
    1.088 2 7
C2H4O Ethylene oxide 1.077 2 4
    1.077 2 5
    1.077 3 6
    1.077 3 7
NH2CHOH+ Formamide, O-protonated 1.077 1 4
C2H4S Thiirane 1.075 2 4
    1.075 2 5
    1.075 3 6
    1.075 3 7
CH3SSH Hydrogen methyl disulfide 1.081 1 5
    1.084 1 6
    1.081 1 7
HSCH2SH Methanedithiol 1.080 1 4
    1.080 1 5
CH3CH2SH ethanethiol 1.084 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
CHF3 Methane, trifluoro- 1.078 1 2
CHBrCl2 Methane, bromodichloro- 1.072 1 2
CHBrF2 Methane, bromodifluoro- 1.076 1 2
CHBr2F dibromofluoromethane 1.073 1 2
H2CNCN cyanamide, methylene 1.077 1 5
    1.081 1 6
C2H2O2 Ethanedial 1.093 1 3
    1.093 2 4
CH2CHCHO Acrolein 1.097 1 5
    1.075 2 6
    1.074 3 7
    1.076 3 8
CH3CHF2 Ethane, 1,1-difluoro- 1.082 1 3
    1.081 2 6
    1.081 2 7
    1.081 2 8
C2H4F2 1,2-difluoroethane 1.081 1 5
    1.081 1 6
    1.081 2 7
    1.081 2 8
CH2FCH2OH 2-fluoroethanol 1.082 1 5
    1.087 1 6
    1.083 2 7
    1.082 2 8
CHOOCHO diformyl ether 1.088 2 6
C2H2N2O Furazan 1.067 4 6
    1.067 5 7