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Geometry for CHCl2CHO (dichloroacetaldehyde)

1910171554

B2PLYP/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0985 -0.0257 0.5225   -0.0991 -0.0253 0.5224
C2 -0.7054 -1.2921 0.1954   0.7479 -1.2661 0.2066
H3 0.2309 0.0621 1.6095   -0.2375 0.0657 1.6084
Cl4 1.7482 -0.2467 -0.1693   -1.7384 -0.3066 -0.1722
Cl5 -0.6943 1.4491 -0.0578   0.6453 1.4712 -0.0663
O6 -1.7928 -1.2970 -0.3193   1.8363 -1.2381 -0.3051
H7 -0.1647 -2.2201 0.4976   0.2379 -2.2097 0.5140
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 O6 H7
C1 1.5352 1.0985 1.8025 1.7721 2.4294 2.2102
C2 1.5352 2.1702 2.6918 2.7528 1.2031 1.1157
H3 1.0985 2.1702 2.3584 2.3579 3.1084 2.5693
Cl4 1.8025 2.6918 2.3584 2.9756 3.6965 2.8282
Cl5 1.7721 2.7528 2.3579 2.9756 2.9691 3.7485
O6 2.4294 1.2031 3.1084 3.6965 2.9691 2.0420
H7 2.2102 1.1157 2.5693 2.8282 3.7485 2.0420
Maximum atom distance is 3.7485Å 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 124.600 C2 C1 Cl4 107.239
C2 C1 Cl5 112.483 Cl4 C1 Cl5 112.693
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.004 C2 C1 H3 109.867
H3 C1 Cl4 106.221 H3 C1 Cl5 108.144
O6 C2 H7 123.395

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