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Geometry for CHBrCl2 (Methane, bromodichloro-) 1A' CS

1910171554
InChI=1S/CHBrCl2/c2-1(3)4/h1H INChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N

B3LYPultrafine/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6751 -0.1077 0.0000   0.3828 -0.5561 -0.1077
H2 -1.6129 0.4311 0.0000   0.9146 -1.3285 0.4311
Br3 0.8177 1.1626 0.0000   -0.4637 0.6735 1.1626
Cl4 -0.6751 -1.1905 1.5244   1.6385 0.3083 -1.1905
Cl5 -0.6751 -1.1905 -1.5244   -0.8728 -1.4205 -1.1905
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0815 1.9602 1.8699 1.8699
H2 1.0815 2.5383 2.4152 2.4152
Br3 1.9602 2.5383 3.1764 3.1764
Cl4 1.8699 2.4152 3.1764 3.0489
Cl5 1.8699 2.4152 3.1764 3.0489
Maximum atom distance is 3.1764Å between atoms Br3 and Cl4.
picture of Methane, bromodichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Cl4 112.042 Br3 C1 Cl5 112.042
Cl4 C1 Cl5 109.228
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 109.723 H2 C1 Cl4 106.768
H2 C1 Cl5 106.768

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