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

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

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0195 0.0000   -0.5872 0.8334 0.0000
Br2 0.8372 -0.7222 0.0000   1.1003 -0.1081 0.0000
Cl3 -1.7625 0.9467 0.0000   -1.9861 -0.2412 0.0000
H4 0.3298 1.5320 0.8972   -0.6128 1.4423 0.8972
H5 0.3298 1.5320 -0.8972   -0.6128 1.4423 -0.8972
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9325 1.7640 1.0846 1.0846
Br2 1.9325 3.0893 2.4786 2.4786
Cl3 1.7640 3.0893 2.3505 2.3505
H4 1.0846 2.4786 2.3505 1.7945
H5 1.0846 2.4786 2.3505 1.7945
Maximum atom distance is 3.0893Å 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 113.308
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.103 Br2 C1 H5 107.103
Cl3 C1 H4 108.861 Cl3 C1 H5 108.861
H4 C1 H5 111.636

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