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

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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6594 -0.1266 0.0000   0.3717 -0.5446 -0.1266
H2 -1.5660 0.4453 0.0000   0.8828 -1.2934 0.4453
Br3 0.7983 1.1007 0.0000   -0.4501 0.6594 1.1007
Cl4 -0.6594 -1.1238 1.4524   1.5713 0.2741 -1.1238
Cl5 -0.6594 -1.1238 -1.4524   -0.8278 -1.3634 -1.1238
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0719 1.9055 1.7617 1.7617
H2 1.0719 2.4534 2.3223 2.3223
Br3 1.9055 2.4534 3.0302 3.0302
Cl4 1.7617 2.3223 3.0302 2.9047
Cl5 1.7617 2.3223 3.0302 2.9047
Maximum atom distance is 3.0302Å 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 111.380 Br3 C1 Cl5 111.380
Cl4 C1 Cl5 111.053
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.660 H2 C1 Cl4 107.578
H2 C1 Cl5 107.578

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