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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

PBEPBEultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0991 -0.0151 0.5224   0.0978 -0.0073 0.5228
C2 -0.6925 -1.3002 0.2028   -0.6498 -1.3206 0.2121
H3 0.2340 0.0779 1.6127   0.2260 0.0995 1.6127
Cl4 1.7572 -0.2352 -0.1706   1.7646 -0.1785 -0.1632
Cl5 -0.7147 1.4501 -0.0588   -0.7620 1.4252 -0.0737
O6 -1.7819 -1.3272 -0.3233   -1.7360 -1.3881 -0.3170
H7 -0.1416 -2.2216 0.5221   -0.0699 -2.2205 0.5411
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5428 1.1026 1.8105 1.7740 2.4444 2.2196
C2 1.5428 2.1784 2.6971 2.7629 1.2101 1.1200
H3 1.1026 2.1784 2.3660 2.3616 3.1283 2.5726
Cl4 1.8105 2.6971 2.3660 2.9938 3.7069 2.8339
Cl5 1.7740 2.7629 2.3616 2.9938 2.9871 3.7613
O6 2.4444 1.2101 3.1283 3.7069 2.9871 2.0507
H7 2.2196 1.1200 2.5726 2.8339 3.7613 2.0507
Maximum atom distance is 3.7613Å 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 124.786 C2 C1 Cl4 106.817
C2 C1 Cl5 112.631 Cl4 C1 Cl5 113.275
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.954 C2 C1 H3 109.747
H3 C1 Cl4 106.062 H3 C1 Cl5 108.087
O6 C2 H7 123.259

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