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

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

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2438 0.5647 0.0000   -0.2887 0.4853 -0.2438
H2 -1.1660 1.1919 0.0000   -0.6093 1.0243 -1.1660
Cl3 1.1586 1.7821 0.0000   -0.9111 1.5316 1.1586
Br4 -0.2438 -0.4982 1.6280   1.6539 0.4041 -0.2438
Br5 -0.2438 -0.4982 -1.6280   -1.1444 -1.2605 -0.2438
Atom - Atom Distances (Å)
  C1 H2 Cl3 Br4 Br5
C1 1.1152 1.8572 1.9442 1.9442
H2 1.1152 2.3984 2.5213 2.5213
Cl3 1.8572 2.3984 3.1332 3.1332
Br4 1.9442 2.5213 3.1332 3.2560
Br5 1.9442 2.5213 3.1332 3.2560
Maximum atom distance is 3.2560Å 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 111.001 Cl3 C1 Br5 111.001
Br4 C1 Br5 113.719
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Cl3 104.816 H2 C1 Br4 107.906
H2 C1 Br5 107.906

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