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

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

G4
This model chemistry uses a geometry from B3LYP/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 1.0165 0.0000   -0.5885 0.8289 0.0000
Br2 0.8483 -0.7136 0.0000   1.1048 -0.0908 0.0000
Cl3 -1.7829 0.9290 0.0000   -1.9916 -0.2747 0.0000
H4 0.3097 1.5421 0.8984   -0.6402 1.4368 0.8984
H5 0.3097 1.5421 -0.8984   -0.6402 1.4368 -0.8984
Atom - Atom Distances (Å)
  C1 Br2 Cl3 H4 H5
C1 1.9269 1.7851 1.0860 1.0860
Br2 1.9269 3.1018 2.4871 2.4871
Cl3 1.7851 3.1018 2.3584 2.3584
H4 1.0860 2.4871 2.3584 1.7967
H5 1.0860 2.4871 2.3584 1.7967
Maximum atom distance is 3.1018Å 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 113.505
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 106.987 Br2 C1 H5 106.987
Cl3 C1 H4 108.633 Cl3 C1 H5 108.633
H4 C1 H5 112.155

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