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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/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6783 -0.1507 0.0000   0.3825 -0.5602 -0.1507
H2 -1.5818 0.4488 0.0000   0.8919 -1.3063 0.4488
Br3 0.8204 1.1293 0.0000   -0.4626 0.6776 1.1293
Cl4 -0.6783 -1.1491 1.4720   1.5981 0.2698 -1.1491
Cl5 -0.6783 -1.1491 -1.4720   -0.8332 -1.3902 -1.1491
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0843 1.9709 1.7786 1.7786
H2 1.0843 2.4967 2.3529 2.3529
Br3 1.9709 2.4967 3.0990 3.0990
Cl4 1.7786 2.3529 3.0990 2.9440
Cl5 1.7786 2.3529 3.0990 2.9440
Maximum atom distance is 3.0990Å 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 111.379 Br3 C1 Cl5 111.379
Cl4 C1 Cl5 111.706
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 105.935 H2 C1 Cl4 108.081
H2 C1 Cl5 108.081

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