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

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

B3LYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6740 -0.1455 0.0000   0.3792 -0.5572 -0.1455
H2 -1.5765 0.4462 0.0000   0.8870 -1.3034 0.4462
Br3 0.8153 1.1244 0.0000   -0.4587 0.6740 1.1244
Cl4 -0.6740 -1.1449 1.4684   1.5931 0.2689 -1.1449
Cl5 -0.6740 -1.1449 -1.4684   -0.8348 -1.3833 -1.1449
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0792 1.9572 1.7762 1.7762
H2 1.0792 2.4861 2.3457 2.3457
Br3 1.9572 2.4861 3.0861 3.0861
Cl4 1.7762 2.3457 3.0861 2.9367
Cl5 1.7762 2.3457 3.0861 2.9367
Maximum atom distance is 3.0861Å 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 111.413 Br3 C1 Cl5 111.413
Cl4 C1 Cl5 111.518
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.296 H2 C1 Cl4 107.969
H2 C1 Cl5 107.969

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