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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/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6759 -0.1452 0.0000   0.3835 -0.5566 -0.1452
H2 -1.5847 0.4559 0.0000   0.8992 -1.3048 0.4559
Br3 0.8177 1.1230 0.0000   -0.4640 0.6733 1.1230
Cl4 -0.6759 -1.1438 1.4690   1.5931 0.2770 -1.1438
Cl5 -0.6759 -1.1438 -1.4690   -0.8260 -1.3901 -1.1438
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0896 1.9594 1.7762 1.7762
H2 1.0896 2.4933 2.3543 2.3543
Br3 1.9594 2.4933 3.0866 3.0866
Cl4 1.7762 2.3543 3.0866 2.9379
Cl5 1.7762 2.3543 3.0866 2.9379
Maximum atom distance is 3.0866Å 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 111.338 Br3 C1 Cl5 111.338
Cl4 C1 Cl5 111.587
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.181 H2 C1 Cl4 108.069
H2 C1 Cl5 108.069

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