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

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

TPSSh/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0134 0.0000   0.5849 -0.8276 0.0000
Br2 0.8467 -0.7077 0.0000   -1.0999 0.0893 0.0000
Cl3 -1.7792 0.9185 0.0000   1.9831 0.2769 0.0000
H4 0.3064 1.5384 0.8999   0.6377 -1.4331 0.8999
H5 0.3064 1.5384 -0.8999   0.6377 -1.4331 -0.8999
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9181 1.7818 1.0860 1.0860
Br2 1.9181 3.0887 2.4793 2.4793
Cl3 1.7818 3.0887 2.3546 2.3546
H4 1.0860 2.4793 2.3546 1.7998
H5 1.0860 2.4793 2.3546 1.7998
Maximum atom distance is 3.0887Å 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 113.140
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 108.013 Br2 C1 H5 108.013
Cl3 C1 H4 107.908 Cl3 C1 H5 107.908
H4 C1 H5 111.926

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