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

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

PBEPBEultrafine/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6757 -0.1440 0.0000   0.3789 -0.5595 -0.1440
H2 -1.5855 0.4556 0.0000   0.8890 -1.3128 0.4556
Br3 0.8176 1.1227 0.0000   -0.4584 0.6769 1.1227
Cl4 -0.6757 -1.1437 1.4690   1.5953 0.2642 -1.1437
Cl5 -0.6757 -1.1437 -1.4690   -0.8375 -1.3832 -1.1437
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0896 1.9582 1.7769 1.7769
H2 1.0896 2.4939 2.3545 2.3545
Br3 1.9582 2.4939 3.0862 3.0862
Cl4 1.7769 2.3545 3.0862 2.9380
Cl5 1.7769 2.3545 3.0862 2.9380
Maximum atom distance is 3.0862Å 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 111.343 Br3 C1 Cl5 111.343
Cl4 C1 Cl5 111.525
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.306 H2 C1 Cl4 108.036
H2 C1 Cl5 108.036

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