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

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

M06-2X/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6689 -0.1387 0.0000   0.3801 -0.5504 -0.1387
H2 -1.5757 0.4515 0.0000   0.8954 -1.2966 0.4515
Br3 0.8095 1.1139 0.0000   -0.4600 0.6661 1.1139
Cl4 -0.6689 -1.1354 1.4591   1.5808 0.2787 -1.1354
Cl5 -0.6689 -1.1354 -1.4591   -0.8206 -1.3796 -1.1354
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0819 1.9377 1.7671 1.7671
H2 1.0819 2.4755 2.3387 2.3387
Br3 1.9377 2.4755 3.0618 3.0618
Cl4 1.7671 2.3387 3.0618 2.9183
Cl5 1.7671 2.3387 3.0618 2.9183
Maximum atom distance is 3.0618Å 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 111.384 Br3 C1 Cl5 111.384
Cl4 C1 Cl5 111.324
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.673 H2 C1 Cl4 107.920
H2 C1 Cl5 107.920

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