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

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

QCISD/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6690 -0.1455 0.0000   0.3780 -0.5520 -0.1455
H2 -1.5795 0.4457 0.0000   0.8923 -1.3032 0.4457
Br3 0.8097 1.1201 0.0000   -0.4575 0.6681 1.1201
Cl4 -0.6690 -1.1405 1.4632   1.5853 0.2747 -1.1405
Cl5 -0.6690 -1.1405 -1.4632   -0.8293 -1.3787 -1.1405
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0855 1.9464 1.7695 1.7695
H2 1.0855 2.4826 2.3422 2.3422
Br3 1.9464 2.4826 3.0722 3.0722
Cl4 1.7695 2.3422 3.0722 2.9265
Cl5 1.7695 2.3422 3.0722 2.9265
Maximum atom distance is 3.0722Å 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 111.447 Br3 C1 Cl5 111.447
Cl4 C1 Cl5 111.567
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.444 H2 C1 Cl4 107.833
H2 C1 Cl5 107.833

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