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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/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.0580 0.0000   0.5958 -0.8744 0.0000
Br2 0.8873 -0.7193 0.0000   -1.1383 0.0948 0.0000
Cl3 -1.8611 0.9217 0.0000   2.0570 0.2863 0.0000
H4 0.2914 1.5802 0.9070   0.6490 -1.4700 0.9070
H5 0.2914 1.5802 -0.9070   0.6490 -1.4700 -0.9070
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9866 1.8661 1.0864 1.0864
Br2 1.9866 3.2010 2.5428 2.5428
Cl3 1.8661 3.2010 2.4268 2.4268
H4 1.0864 2.5428 2.4268 1.8140
H5 1.0864 2.5428 2.4268 1.8140
Maximum atom distance is 3.2010Å 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 112.338
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 108.075 Br2 C1 H5 108.075
Cl3 C1 H4 107.617 Cl3 C1 H5 107.617
H4 C1 H5 113.203

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