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Geometry for CHBrCl2 (Methane, bromodichloro-) 1A' CS

1910171554
InChI=1S/CHBrCl2/c2-1(3)4/h1H INChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N

LSDA/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6830 -0.1168 0.0000   0.3948 -0.5573 -0.1168
H2 -1.6013 0.4780 0.0000   0.9255 -1.3067 0.4780
Br3 0.8263 1.1189 0.0000   -0.4776 0.6743 1.1189
Cl4 -0.6830 -1.1452 1.5048   1.6228 0.3124 -1.1452
Cl5 -0.6830 -1.1452 -1.5048   -0.8333 -1.4271 -1.1452
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0941 1.9506 1.8227 1.8227
H2 1.0941 2.5107 2.3964 2.3964
Br3 1.9506 2.5107 3.1094 3.1094
Cl4 1.8227 2.3964 3.1094 3.0096
Cl5 1.8227 2.3964 3.1094 3.0096
Maximum atom distance is 3.1094Å between atoms Br3 and Cl4.
picture of Methane, bromodichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Cl4 110.943 Br3 C1 Cl5 110.943
Cl4 C1 Cl5 111.300
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.763 H2 C1 Cl4 107.863
H2 C1 Cl5 107.863

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