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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

CCSD(T)/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1031 -0.0207 0.5217   -0.1040 -0.0200 0.5216
C2 -0.7165 -1.2824 0.2008   0.7595 -1.2553 0.2133
H3 0.2300 0.0601 1.6058   -0.2371 0.0651 1.6046
Cl4 1.7369 -0.2627 -0.1703   -1.7263 -0.3237 -0.1732
Cl5 -0.6748 1.4525 -0.0575   0.6246 1.4744 -0.0674
O6 -1.8001 -1.2815 -0.3225   1.8442 -1.2213 -0.3068
H7 -0.2039 -2.2168 0.5117   0.2785 -2.2042 0.5303
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5384 1.0945 1.7908 1.7638 2.4340 2.2175
C2 1.5384 2.1615 2.6826 2.7474 1.2034 1.1101
H3 1.0945 2.1615 2.3515 2.3503 3.1048 2.5631
Cl4 1.7908 2.6826 2.3515 2.9616 3.6839 2.8373
Cl5 1.7638 2.7474 2.3503 2.9616 2.9684 3.7429
O6 2.4340 1.2034 3.1048 3.6839 2.9684 2.0294
H7 2.2175 1.1101 2.5631 2.8373 3.7429 2.0294
Maximum atom distance is 3.7429Å 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 124.736 C2 C1 Cl4 107.131
C2 C1 Cl5 112.432 Cl4 C1 Cl5 112.854
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.702 C2 C1 H3 109.206
H3 C1 Cl4 106.676 H3 C1 Cl5 108.346
O6 C2 H7 122.560

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