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Geometry for CHClBr2 (Methane, dibromochloro-) 1A' CS

1910171554
InChI=1S/CHBr2Cl/c2-1(3)4/h1H INChIKey=GATVIKZLVQHOMN-UHFFFAOYSA-N

CCD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2323 0.6115 0.0000   -0.3162 0.5234 -0.2323
H2 -1.1634 1.1602 0.0000   -0.6000 0.9930 -1.1634
Cl3 1.1067 1.7528 0.0000   -0.9064 1.5002 1.1067
Br4 -0.2323 -0.4947 1.6017   1.6267 0.4050 -0.2323
Br5 -0.2323 -0.4947 -1.6017   -1.1151 -1.2517 -0.2323
Atom - Atom Distances (Å)
  C1 H2 Cl3 Br4 Br5
C1 1.0809 1.7594 1.9466 1.9466
H2 1.0809 2.3462 2.4842 2.4842
Cl3 1.7594 2.3462 3.0675 3.0675
Br4 1.9466 2.4842 3.0675 3.2035
Br5 1.9466 2.4842 3.0675 3.2035
Maximum atom distance is 3.2035Å between atoms Br4 and Br5.
picture of Methane, dibromochloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 Br4 111.630 Cl3 C1 Br5 111.630
Br4 C1 Br5 110.743
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Cl3 109.046 H2 C1 Br4 106.768
H2 C1 Br5 106.768

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