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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6730 -0.1476 0.0000   0.3791 -0.5561 -0.1476
H2 -1.5790 0.4408 0.0000   0.8895 -1.3047 0.4408
Br3 0.8142 1.1318 0.0000   -0.4587 0.6728 1.1318
Cl4 -0.6730 -1.1520 1.4774   1.5998 0.2761 -1.1520
Cl5 -0.6730 -1.1520 -1.4774   -0.8416 -1.3882 -1.1520
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0803 1.9618 1.7865 1.7865
H2 1.0803 2.4910 2.3538 2.3538
Br3 1.9618 2.4910 3.1000 3.1000
Cl4 1.7865 2.3538 3.1000 2.9547
Cl5 1.7865 2.3538 3.1000 2.9547
Maximum atom distance is 3.1000Å 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 111.509 Br3 C1 Cl5 111.509
Cl4 C1 Cl5 111.579
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.300 H2 C1 Cl4 107.830
H2 C1 Cl5 107.830

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