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Geometry for CHCl2CHO (dichloroacetaldehyde) 1A C1

1910171554
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H INChIKey=NWQWQKUXRJYXFH-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3862 -0.0183 0.0000   -0.0630 0.3811 -0.0183
C2 -0.1708 1.4026 0.0000   0.0278 -0.1685 1.4026
H3 1.4711 0.0023 0.0000   -0.2398 1.4514 0.0023
Cl4 -0.1708 -0.8428 1.4810   1.4890 0.0729 -0.8428
Cl5 -0.1708 -0.8428 -1.4810   -1.4333 -0.4099 -0.8428
O6 0.5395 2.3603 0.0000   -0.0879 0.5323 2.3603
H7 -1.2740 1.4642 0.0000   0.2077 -1.2569 1.4642
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5262 1.0851 1.7842 1.7842 2.3835 2.2258
C2 1.5262 2.1579 2.6898 2.6898 1.1923 1.1049
H3 1.0851 2.1579 2.3671 2.3671 2.5354 3.1101
Cl4 1.7842 2.6898 2.3671 2.9620 3.5996 2.9551
Cl5 1.7842 2.6898 2.3671 2.9620 3.5996 2.9551
O6 2.3835 1.1923 2.5354 3.5996 3.5996 2.0228
H7 2.2258 1.1049 3.1101 2.9551 2.9551 2.0228
Maximum atom distance is 3.5996Å between atoms Cl4 and O6.
picture of dichloroacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O6 122.033 C2 C1 Cl4 108.440
C2 C1 Cl5 108.440 Cl4 C1 Cl5 112.210
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.598 C2 C1 H3 110.318
H3 C1 Cl4 108.717 H3 C1 Cl5 108.717
O6 C2 H7 123.369

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