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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/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0118 0.0000   -0.5739 0.8333 0.0000
Br2 0.8339 -0.7059 0.0000   1.0872 -0.1083 0.0000
Cl3 -1.7543 0.9166 0.0000   -1.9647 -0.2402 0.0000
H4 0.3172 1.5264 0.8926   -0.6046 1.4370 0.8926
H5 0.3172 1.5264 -0.8926   -0.6046 1.4370 -0.8926
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9095 1.7568 1.0780 1.0780
Br2 1.9095 3.0547 2.4591 2.4591
Cl3 1.7568 3.0547 2.3365 2.3365
H4 1.0780 2.4591 2.3365 1.7852
H5 1.0780 2.4591 2.3365 1.7852
Maximum atom distance is 3.0547Å 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 112.788
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.513 Br2 C1 H5 107.513
Cl3 C1 H4 108.643 Cl3 C1 H5 108.643
H4 C1 H5 111.785

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