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

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

TPSSh/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6778 -0.1399 0.0000   0.3834 -0.5589 -0.1399
H2 -1.5792 0.4630 0.0000   0.8933 -1.3022 0.4630
Br3 0.8197 1.1147 0.0000   -0.4637 0.6759 1.1147
Cl4 -0.6778 -1.1364 1.4726   1.5977 0.2742 -1.1364
Cl5 -0.6778 -1.1364 -1.4726   -0.8309 -1.3919 -1.1364
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0845 1.9536 1.7781 1.7781
H2 1.0845 2.4858 2.3536 2.3536
Br3 1.9536 2.4858 3.0787 3.0787
Cl4 1.7781 2.3536 3.0787 2.9452
Cl5 1.7781 2.3536 3.0787 2.9452
Maximum atom distance is 3.0787Å 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 111.096 Br3 C1 Cl5 111.096
Cl4 C1 Cl5 111.826
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.265 H2 C1 Cl4 108.155
H2 C1 Cl5 108.155

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