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

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

MP4/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6850 -0.1389 0.0000   0.3895 -0.5635 -0.1389
H2 -1.5837 0.4770 0.0000   0.9005 -1.3027 0.4770
Br3 0.8281 1.1096 0.0000   -0.4709 0.6812 1.1096
Cl4 -0.6850 -1.1318 1.4668   1.5961 0.2706 -1.1318
Cl5 -0.6850 -1.1318 -1.4668   -0.8171 -1.3976 -1.1318
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0895 1.9618 1.7713 1.7713
H2 1.0895 2.4934 2.3553 2.3553
Br3 1.9618 2.4934 3.0766 3.0766
Cl4 1.7713 2.3553 3.0766 2.9337
Cl5 1.7713 2.3553 3.0766 2.9337
Maximum atom distance is 3.0766Å 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 110.902 Br3 C1 Cl5 110.902
Cl4 C1 Cl5 111.814
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.047 H2 C1 Cl4 108.475
H2 C1 Cl5 108.475

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