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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

QCISD(T)/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1003 -0.0181 0.5261   -0.0953 0.0179 -0.5270
C2 -0.7053 -1.2803 0.2029   0.7038 1.2822 -0.1960
H3 0.2320 0.0672 1.6027   -0.2163 -0.0676 -1.6048
Cl4 1.7275 -0.2579 -0.1710   -1.7297 0.2533 0.1543
Cl5 -0.6757 1.4460 -0.0585   0.6790 -1.4442 0.0649
O6 -1.7871 -1.2837 -0.3228   1.7805 1.2884 0.3402
H7 -0.1852 -2.2048 0.5073   0.1842 2.2053 -0.5053
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5319 1.0880 1.7864 1.7571 2.4258 2.2053
C2 1.5319 2.1572 2.6653 2.7389 1.2028 1.1036
H3 1.0880 2.1572 2.3427 2.3419 3.0998 2.5565
Cl4 1.7864 2.6653 2.3427 2.9481 3.6644 2.8123
Cl5 1.7571 2.7389 2.3419 2.9481 2.9591 3.7268
O6 2.4258 1.2028 3.0998 3.6644 2.9591 2.0258
H7 2.2053 1.1036 2.5565 2.8123 3.7268 2.0258
Maximum atom distance is 3.7268Å 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 124.579 C2 C1 Cl4 106.626
C2 C1 Cl5 112.588 Cl4 C1 Cl5 112.600
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.594 C2 C1 H3 109.697
H3 C1 Cl4 106.642 H3 C1 Cl5 108.502
O6 C2 H7 122.827

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