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

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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6719 -0.1434 0.0000   0.3888 -0.5480 -0.1434
H2 -1.5862 0.4570 0.0000   0.9178 -1.2937 0.4570
Br3 0.8133 1.1194 0.0000   -0.4706 0.6633 1.1194
Cl4 -0.6719 -1.1404 1.4662   1.5847 0.3003 -1.1404
Cl5 -0.6719 -1.1404 -1.4662   -0.8071 -1.3964 -1.1404
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0938 1.9495 1.7731 1.7731
H2 1.0938 2.4892 2.3532 2.3532
Br3 1.9495 2.4892 3.0761 3.0761
Cl4 1.7731 2.3532 3.0761 2.9325
Cl5 1.7731 2.3532 3.0761 2.9325
Maximum atom distance is 3.0761Å 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 111.361 Br3 C1 Cl5 111.361
Cl4 C1 Cl5 111.571
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.329 H2 C1 Cl4 107.980
H2 C1 Cl5 107.980

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