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

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

CCD/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6764 -0.1296 0.0000   0.3836 -0.5571 -0.1296
H2 -1.5914 0.4689 0.0000   0.9025 -1.3107 0.4689
Br3 0.8185 1.1122 0.0000   -0.4642 0.6741 1.1122
Cl4 -0.6764 -1.1358 1.4678   1.5925 0.2753 -1.1358
Cl5 -0.6764 -1.1358 -1.4678   -0.8253 -1.3895 -1.1358
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0933 1.9434 1.7796 1.7796
H2 1.0933 2.4943 2.3594 2.3594
Br3 1.9434 2.4943 3.0729 3.0729
Cl4 1.7796 2.3594 3.0729 2.9356
Cl5 1.7796 2.3594 3.0729 2.9356
Maximum atom distance is 3.0729Å 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 111.180 Br3 C1 Cl5 111.180
Cl4 C1 Cl5 111.133
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.098 H2 C1 Cl4 108.030
H2 C1 Cl5 108.030

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