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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/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2319 0.5928 0.0000   -0.2942 0.5146 -0.2319
H2 -1.1500 1.1527 0.0000   -0.5721 1.0008 -1.1500
Cl3 1.1045 1.7282 0.0000   -0.8577 1.5004 1.1045
Br4 -0.2319 -0.4870 1.5820   1.6151 0.3624 -0.2319
Br5 -0.2319 -0.4870 -1.5820   -1.1318 -1.2079 -0.2319
Atom - Atom Distances (Å)
  C1 H2 Cl3 Br4 Br5
C1 1.0754 1.7536 1.9154 1.9154
H2 1.0754 2.3268 2.4565 2.4565
Cl3 1.7536 2.3268 3.0325 3.0325
Br4 1.9154 2.4565 3.0325 3.1640
Br5 1.9154 2.4565 3.0325 3.1640
Maximum atom distance is 3.1640Å 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 111.409 Cl3 C1 Br5 111.409
Br4 C1 Br5 111.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Cl3 108.269 H2 C1 Br4 107.070
H2 C1 Br5 107.070

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