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

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

B97D3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6772 -0.1534 0.0000   0.3822 -0.5590 -0.1534
H2 -1.5843 0.4421 0.0000   0.8941 -1.3079 0.4421
Br3 0.8192 1.1374 0.0000   -0.4623 0.6763 1.1374
Cl4 -0.6772 -1.1568 1.4817   1.6053 0.2772 -1.1568
Cl5 -0.6772 -1.1568 -1.4817   -0.8410 -1.3952 -1.1568
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0851 1.9762 1.7894 1.7894
H2 1.0851 2.5021 2.3610 2.3610
Br3 1.9762 2.5021 3.1141 3.1141
Cl4 1.7894 2.3610 3.1141 2.9633
Cl5 1.7894 2.3610 3.1141 2.9633
Maximum atom distance is 3.1141Å 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 111.484 Br3 C1 Cl5 111.484
Cl4 C1 Cl5 111.790
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 105.935 H2 C1 Cl4 107.921
H2 C1 Cl5 107.921

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