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

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

MP4/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6860 -0.1028 0.0000   0.3938 -0.5616 -0.1028
H2 -1.6275 0.4378 0.0000   0.9344 -1.3325 0.4378
Br3 0.8305 1.1735 0.0000   -0.4768 0.6799 1.1735
Cl4 -0.6860 -1.2027 1.5436   1.6577 0.3246 -1.2027
Cl5 -0.6860 -1.2027 -1.5436   -0.8700 -1.4479 -1.2027
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0856 1.9820 1.8954 1.8954
H2 1.0856 2.5657 2.4414 2.4414
Br3 1.9820 2.5657 3.2138 3.2138
Cl4 1.8954 2.4414 3.2138 3.0872
Cl5 1.8954 2.4414 3.2138 3.0872
Maximum atom distance is 3.2138Å 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 111.943 Br3 C1 Cl5 111.943
Cl4 C1 Cl5 109.054
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 110.054 H2 C1 Cl4 106.794
H2 C1 Cl5 106.794

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