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

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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2429 0.6046 0.0000   -0.3014 0.5241 -0.2429
H2 -1.1717 1.1693 0.0000   -0.5829 1.0136 -1.1717
Cl3 1.1548 1.8291 0.0000   -0.9118 1.5856 1.1548
Br4 -0.2429 -0.5127 1.6624   1.6968 0.3842 -0.2429
Br5 -0.2429 -0.5127 -1.6624   -1.1856 -1.2732 -0.2429
Atom - Atom Distances (Å)
  C1 H2 Cl3 Br4 Br5
C1 1.0870 1.8582 2.0030 2.0030
H2 1.0870 2.4182 2.5408 2.5408
Cl3 1.8582 2.4182 3.1940 3.1940
Br4 2.0030 2.5408 3.1940 3.3249
Br5 2.0030 2.5408 3.1940 3.3249
Maximum atom distance is 3.3249Å 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 111.567 Cl3 C1 Br5 111.567
Br4 C1 Br5 112.190
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Cl3 107.480 H2 C1 Br4 106.845
H2 C1 Br5 106.845

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