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

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

CCD/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6682 -0.1421 0.0000   0.3736 -0.5540 -0.1421
H2 -1.5725 0.4480 0.0000   0.8791 -1.3038 0.4480
Br3 0.8086 1.1195 0.0000   -0.4520 0.6704 1.1195
Cl4 -0.6682 -1.1406 1.4658   1.5889 0.2655 -1.1406
Cl5 -0.6682 -1.1406 -1.4658   -0.8418 -1.3735 -1.1406
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0798 1.9423 1.7736 1.7736
H2 1.0798 2.4739 2.3431 2.3431
Br3 1.9423 2.4739 3.0720 3.0720
Cl4 1.7736 2.3431 3.0720 2.9317
Cl5 1.7736 2.3431 3.0720 2.9317
Maximum atom distance is 3.0720Å 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 111.450 Br3 C1 Cl5 111.450
Cl4 C1 Cl5 111.477
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.365 H2 C1 Cl4 107.918
H2 C1 Cl5 107.918

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