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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/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6710 -0.1304 0.0000   0.3736 -0.5574 -0.1304
H2 -1.5751 0.4561 0.0000   0.8769 -1.3084 0.4561
Br3 0.8118 1.1073 0.0000   -0.4520 0.6744 1.1073
Cl4 -0.6710 -1.1303 1.4569   1.5838 0.2537 -1.1303
Cl5 -0.6710 -1.1303 -1.4569   -0.8367 -1.3685 -1.1303
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0777 1.9315 1.7670 1.7670
H2 1.0777 2.4742 2.3360 2.3360
Br3 1.9315 2.4742 3.0542 3.0542
Cl4 1.7670 2.3360 3.0542 2.9138
Cl5 1.7670 2.3360 3.0542 2.9138
Maximum atom distance is 3.0542Å 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 111.260 Br3 C1 Cl5 111.260
Cl4 C1 Cl5 111.076
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 107.174 H2 C1 Cl4 107.937
H2 C1 Cl5 107.937

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