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

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6777 -0.1479 0.0000   0.3925 -0.5526 -0.1479
H2 -1.5966 0.4600 0.0000   0.9245 -1.3017 0.4600
Br3 0.8202 1.1291 0.0000   -0.4749 0.6687 1.1291
Cl4 -0.6777 -1.1498 1.4767   1.5964 0.3026 -1.1498
Cl5 -0.6777 -1.1498 -1.4767   -0.8115 -1.4077 -1.1498
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.1018 1.9684 1.7845 1.7845
H2 1.1018 2.5077 2.3699 2.3699
Br3 1.9684 2.5077 3.1012 3.1012
Cl4 1.7845 2.3699 3.1012 2.9534
Cl5 1.7845 2.3699 3.1012 2.9534
Maximum atom distance is 3.1012Å 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 111.360 Br3 C1 Cl5 111.360
Cl4 C1 Cl5 111.692
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.063 H2 C1 Cl4 108.046
H2 C1 Cl5 108.046

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