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

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

TPSSh/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6802 -0.1326 0.0000   0.3860 -0.5601 -0.1326
H2 -1.5895 0.4680 0.0000   0.9020 -1.3088 0.4680
Br3 0.8228 1.1143 0.0000   -0.4669 0.6775 1.1143
Cl4 -0.6802 -1.1375 1.4692   1.5957 0.2737 -1.1375
Cl5 -0.6802 -1.1375 -1.4692   -0.8237 -1.3938 -1.1375
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0898 1.9529 1.7800 1.7800
H2 1.0898 2.4974 2.3586 2.3586
Br3 1.9529 2.4974 3.0803 3.0803
Cl4 1.7800 2.3586 3.0803 2.9385
Cl5 1.7800 2.3586 3.0803 2.9385
Maximum atom distance is 3.0803Å 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 111.128 Br3 C1 Cl5 111.128
Cl4 C1 Cl5 111.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.872 H2 C1 Cl4 108.128
H2 C1 Cl5 108.128

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