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

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

HF/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6687 -0.1390 0.0000   -0.4930 0.0000 -0.4728
H2 -1.5629 0.4522 0.0000   -0.5113 0.0000 -1.5446
Br3 0.8089 1.1062 0.0000   1.3698 0.0000 0.0412
Cl4 -0.6687 -1.1275 1.4557   -1.3081 1.4557 0.0865
Cl5 -0.6687 -1.1275 -1.4557   -1.3081 -1.4557 0.0865
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0720 1.9324 1.7596 1.7596
H2 1.0720 2.4603 2.3268 2.3268
Br3 1.9324 2.4603 3.0483 3.0483
Cl4 1.7596 2.3268 3.0483 2.9114
Cl5 1.7596 2.3268 3.0483 2.9114
Maximum atom distance is 3.0483Å 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 111.223 Br3 C1 Cl5 111.223
Cl4 C1 Cl5 111.644
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.405 H2 C1 Cl4 108.050
H2 C1 Cl5 108.050

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