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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

HSEh1PBE/6-311+G(3df,2p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0964 -0.0159 0.5164   0.0952 -0.0078 0.5168
C2 -0.7049 -1.2739 0.2016   -0.6586 -1.2969 0.2109
H3 0.2276 0.0678 1.5955   0.2199 0.0902 1.5955
Cl4 1.7180 -0.2577 -0.1688   1.7268 -0.1963 -0.1615
Cl5 -0.6717 1.4420 -0.0578   -0.7236 1.4160 -0.0726
O6 -1.7729 -1.2833 -0.3210   -1.7239 -1.3499 -0.3146
H7 -0.1802 -2.1969 0.5165   -0.1016 -2.1974 0.5356
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5244 1.0903 1.7770 1.7450 2.4087 2.1985
C2 1.5244 2.1477 2.6533 2.7285 1.1891 1.1075
H3 1.0903 2.1477 2.3324 2.3304 3.0823 2.5416
Cl4 1.7770 2.6533 2.3324 2.9346 3.6417 2.7988
Cl5 1.7450 2.7285 2.3304 2.9346 2.9511 3.7166
O6 2.4087 1.1891 3.0823 3.6417 2.9511 2.0182
H7 2.1985 1.1075 2.5416 2.7988 3.7166 2.0182
Maximum atom distance is 3.7166Å between atoms Cl5 and H7.
picture of dichloroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O6 124.708 C2 C1 Cl4 106.721
C2 C1 Cl5 112.964 Cl4 C1 Cl5 112.858
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.339 C2 C1 H3 109.331
H3 C1 Cl4 106.395 H3 C1 Cl5 108.336
O6 C2 H7 122.954

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.