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

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

mPW1PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6412 -0.1234 0.0000   0.3612 -0.5298 -0.1234
H2 -1.6200 0.3985 0.0000   0.9125 -1.3386 0.3985
Br3 0.7791 1.1598 0.0000   -0.4388 0.6437 1.1598
Cl4 -0.6412 -1.1839 1.5054   1.6050 0.3181 -1.1839
Cl5 -0.6412 -1.1839 -1.5054   -0.8826 -1.3777 -1.1839
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.1093 1.9141 1.8414 1.8414
H2 1.1093 2.5170 2.3933 2.3933
Br3 1.9141 2.5170 3.1267 3.1267
Cl4 1.8414 2.3933 3.1267 3.0107
Cl5 1.8414 2.3933 3.1267 3.0107
Maximum atom distance is 3.1267Å 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 112.711 Br3 C1 Cl5 112.711
Cl4 C1 Cl5 109.674
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 109.838 H2 C1 Cl4 105.720
H2 C1 Cl5 105.720

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