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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

B2PLYP/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0978 -0.0240 0.5181   0.0970 -0.0160 0.5186
C2 -0.7154 -1.2854 0.1962   -0.6702 -1.3081 0.2055
H3 0.2258 0.0576 1.5960   0.2187 0.0794 1.5960
Cl4 1.7411 -0.2582 -0.1681   1.7496 -0.1980 -0.1610
Cl5 -0.6798 1.4524 -0.0573   -0.7305 1.4269 -0.0719
O6 -1.7962 -1.2865 -0.3194   -1.7487 -1.3519 -0.3130
H7 -0.1921 -2.2095 0.5045   -0.1155 -2.2104 0.5234
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5349 1.0885 1.7962 1.7650 2.4254 2.2047
C2 1.5349 2.1561 2.6874 2.7497 1.1975 1.1059
H3 1.0885 2.1561 2.3469 2.3449 3.0925 2.5506
Cl4 1.7962 2.6874 2.3469 2.9663 3.6868 2.8279
Cl5 1.7650 2.7497 2.3449 2.9663 2.9693 3.7367
O6 2.4254 1.1975 3.0925 3.6868 2.9693 2.0258
H7 2.2047 1.1059 2.5506 2.8279 3.7367 2.0258
Maximum atom distance is 3.7367Å 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 124.700 C2 C1 Cl4 107.302
C2 C1 Cl5 112.680 Cl4 C1 Cl5 112.804
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.182 C2 C1 H3 109.365
H3 C1 Cl4 106.292 H3 C1 Cl5 108.176
O6 C2 H7 123.116

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