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Geometry for CH2BrCl (Methane, bromochloro-) 1A' CS

1910171554
InChI=1S/CH2BrCl/c2-1-3/h1H2 INChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0094 0.0000   -0.5526 0.8447 0.0000
Br2 0.8750 -0.7072 0.0000   1.1194 -0.1128 0.0000
Cl3 -1.8360 0.9137 0.0000   -2.0366 -0.2405 0.0000
H4 0.2924 1.5820 0.9054   -0.6214 1.4840 0.9054
H5 0.2924 1.5820 -0.9054   -0.6214 1.4840 -0.9054
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9268 1.8385 1.1105 1.1105
Br2 1.9268 3.1586 2.5298 2.5298
Cl3 1.8385 3.1586 2.4075 2.4075
H4 1.1105 2.5298 2.4075 1.8108
H5 1.1105 2.5298 2.4075 1.8108
Maximum atom distance is 3.1586Å between atoms Br2 and Cl3.
picture of Methane, bromochloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Cl3 114.024
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 109.867 Br2 C1 H5 109.867
Cl3 C1 H4 106.845 Cl3 C1 H5 106.845
H4 C1 H5 109.244

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