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Compare Calculated Bonds for H-C

17 01 10 14 40

MP2=FULL/Sadlej_pVTZ

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


Values greater than 1.13 are in the 1.13 bin. Values less than 1.08 are in the 1.08 bin.

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1.08 1.08 1.09 1.09 1.10 1.10 1.11 1.11 1.12 1.12 1.13 1.13
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.101 0.007

  Species Name Bond Length (Å)
Lowest value HCCF Fluoroacetylene 1.075
Highest value CH3CHO Acetaldehyde 1.121

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH4 Methane 1.100 1 2
    1.100 1 3
    1.100 1 4
    1.100 1 5
C2H2 Acetylene 1.078 1 3
    1.078 2 4
H2CO Formaldehyde 1.115 2 3
    1.115 2 4
CH3Cl Methyl chloride 1.098 1 3
    1.098 1 4
    1.098 1 5
C2H4 Ethylene 1.095 1 3
    1.095 1 4
    1.095 2 5
    1.095 2 6
CH3OH Methyl alcohol 1.100 1 3
    1.105 1 4
    1.105 1 5
CH3NH2 methyl amine 1.107 1 3
    1.102 1 4
    1.102 1 5
C2H6 Ethane 1.103 1 3
    1.103 1 4
    1.103 1 5
    1.103 2 6
    1.103 2 7
    1.103 2 8
HCCF Fluoroacetylene 1.075 2 4
HCOOH Formic acid 1.106 1 4
CH2F2 Methane, difluoro- 1.100 1 2
    1.100 1 3
CH2Cl2 Methylene chloride 1.097 1 2
    1.097 1 3
CH2CCH2 allene 1.094 2 4
    1.094 2 5
    1.094 3 6
    1.094 3 7
CH3CHO Acetaldehyde 1.121 1 4
    1.099 2 5
    1.104 2 6
    1.104 2 7
C3H6 Cyclopropane 1.092 1 4
    1.092 1 7
    1.092 2 5
    1.092 2 8
    1.092 3 6
    1.092 3 9
CH3CH2OH Ethanol 1.101 1 5
    1.101 1 6
    1.101 1 7
    1.106 2 8
    1.106 2 9
CH3OCH3 Dimethyl ether 1.099 2 4
    1.108 2 6
    1.108 2 7
    1.099 3 5
    1.108 3 8
    1.108 3 9
CH3SCH3 Dimethyl sulfide 1.100 2 4
    1.102 2 6
    1.102 2 7
    1.100 3 5
    1.102 3 8
    1.102 3 9
CH3NHCH3 Dimethylamine 1.112 3 5
    1.103 3 7
    1.100 3 9
    1.112 4 6
    1.103 4 8
    1.100 4 10
C3H8 Propane 1.105 1 4
    1.105 1 5
    1.101 2 6
    1.104 2 8
    1.104 2 9
    1.101 3 7
    1.104 3 10
    1.104 3 11
CHF3 Methane, trifluoro- 1.098 1 2
C2H4F2 1,2-difluoroethane 1.103 1 5
    1.102 1 6
    1.103 2 7
    1.102 2 8
CH3COCH3 Acetone 1.097 3 5
    1.103 3 7
    1.103 3 8
    1.097 4 6
    1.103 4 9
    1.103 4 10
N(CH3)3 Trimethylamine 1.115 2 5
    1.100 2 8
    1.100 2 9
    1.115 3 6
    1.100 3 10
    1.100 3 11
    1.115 4 7
    1.100 4 12
    1.100 4 13
CH3CH2CH2CH3 Butane 1.105 1 5
    1.105 1 6
    1.105 2 7
    1.105 2 8
    1.101 3 9
    1.103 3 11
    1.103 3 12
    1.101 4 10
    1.103 4 13
    1.103 4 14
C5H12 Pentane 1.106 1 6
    1.106 1 7
    1.105 2 8
    1.105 2 9
    1.105 3 10
    1.105 3 11
    1.101 4 12
    1.103 4 14
    1.103 4 15
    1.101 5 13
    1.103 5 16
    1.103 5 17
C5H5N Pyridine 1.086 2 7
    1.086 3 8
    1.086 4 9
    1.087 5 10
    1.087 6 11
C6H14 Hexane 1.100 1 8
    1.102 1 9
    1.102 1 10
    1.100 2 7
    1.102 2 11
    1.102 2 12
    1.104 3 17
    1.104 3 18
    1.104 4 19
    1.104 4 20
    1.102 5 15
    1.102 5 16
    1.102 6 13
    1.102 6 14
C6H5F Fluorobenzene 1.094 3 8
    1.094 4 9
    1.094 5 10
    1.094 6 11
    1.094 7 12