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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

QCISD/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0965 -0.0332 0.5237   0.0961 -0.0256 0.5242
C2 -0.7343 -1.2838 0.1837   -0.6884 -1.3078 0.1919
H3 0.2239 0.0466 1.6130   0.2172 0.0673 1.6132
Cl4 1.7437 -0.2812 -0.1671   1.7531 -0.2199 -0.1601
Cl5 -0.6536 1.4662 -0.0585   -0.7055 1.4414 -0.0719
O6 -1.8391 -1.2571 -0.3090   -1.7920 -1.3245 -0.3041
H7 -0.2165 -2.2338 0.4502   -0.1378 -2.2365 0.4674
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5395 1.0996 1.8033 1.7748 2.4368 2.2240
C2 1.5395 2.1751 2.6961 2.7619 1.2100 1.1142
H3 1.0996 2.1751 2.3635 2.3620 3.1065 2.5974
Cl4 1.8033 2.6961 2.3635 2.9686 3.7161 2.8348
Cl5 1.7748 2.7619 2.3620 2.9686 2.9807 3.7603
O6 2.4368 1.2100 3.1065 3.7161 2.9807 2.0404
H7 2.2240 1.1142 2.5974 2.8348 3.7603 2.0404
Maximum atom distance is 3.7603Å 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 124.383 C2 C1 Cl4 107.253
C2 C1 Cl5 112.694 Cl4 C1 Cl5 112.122
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.893 C2 C1 H3 109.893
H3 C1 Cl4 106.481 H3 C1 Cl5 108.214
O6 C2 H7 122.720

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