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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

MP4=FULL/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0935 -0.0508 0.5759   0.0927 -0.0439 0.5766
C2 -0.6341 -1.3585 0.2044   -0.6013 -1.3720 0.2132
H3 0.2375 0.0715 1.6506   0.2299 0.0904 1.6507
Cl4 1.8398 -0.1476 -0.1786   1.8435 -0.1038 -0.1714
Cl5 -0.8370 1.4406 -0.0616   -0.8719 1.4191 -0.0759
O6 -1.7503 -1.4191 -0.3423   -1.7137 -1.4643 -0.3366
H7 -0.0390 -2.2452 0.4901   0.0144 -2.2416 0.5079
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5420 1.0911 1.9049 1.8699 2.4728 2.2002
C2 1.5420 2.2127 2.7809 2.8191 1.2443 1.1055
H3 1.0911 2.2127 2.4416 2.4415 3.1851 2.6059
Cl4 1.9049 2.7809 2.4416 3.1147 3.8121 2.8944
Cl5 1.8699 2.8191 2.4415 3.1147 3.0151 3.8114
O6 2.4728 1.2443 3.1851 3.8121 3.0151 2.0746
H7 2.2002 1.1055 2.6059 2.8944 3.8114 2.0746
Maximum atom distance is 3.8121Å between atoms Cl4 and O6.
picture of dichloroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O6 124.777 C2 C1 Cl4 107.100
C2 C1 Cl5 111.069 Cl4 C1 Cl5 111.203
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.348 C2 C1 H3 113.241
H3 C1 Cl4 105.951 H3 C1 Cl5 108.188
O6 C2 H7 123.875

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