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

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

CCSD/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6684 -0.1450 0.0000   0.3779 -0.5513 -0.1450
H2 -1.5791 0.4452 0.0000   0.8928 -1.3025 0.4452
Br3 0.8090 1.1195 0.0000   -0.4574 0.6673 1.1195
Cl4 -0.6684 -1.1400 1.4624   1.5842 0.2755 -1.1400
Cl5 -0.6684 -1.1400 -1.4624   -0.8284 -1.3781 -1.1400
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0852 1.9447 1.7688 1.7688
H2 1.0852 2.4815 2.3411 2.3411
Br3 1.9447 2.4815 3.0703 3.0703
Cl4 1.7688 2.3411 3.0703 2.9248
Cl5 1.7688 2.3411 3.0703 2.9248
Maximum atom distance is 3.0703Å 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 111.455 Br3 C1 Cl5 111.455
Cl4 C1 Cl5 111.541
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.494 H2 C1 Cl4 107.813
H2 C1 Cl5 107.813

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