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

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

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6705 -0.1345 0.0000   0.3785 -0.5534 -0.1345
H2 -1.5960 0.4425 0.0000   0.9010 -1.3173 0.4425
Br3 0.8118 1.1303 0.0000   -0.4583 0.6701 1.1303
Cl4 -0.6705 -1.1528 1.4879   1.6066 0.2866 -1.1528
Cl5 -0.6705 -1.1528 -1.4879   -0.8496 -1.3934 -1.1528
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0906 1.9485 1.8030 1.8030
H2 1.0906 2.5041 2.3697 2.3697
Br3 1.9485 2.5041 3.1021 3.1021
Cl4 1.8030 2.3697 3.1021 2.9757
Cl5 1.8030 2.3697 3.1021 2.9757
Maximum atom distance is 3.1021Å 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 111.506 Br3 C1 Cl5 111.506
Cl4 C1 Cl5 111.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.590 H2 C1 Cl4 107.385
H2 C1 Cl5 107.385

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