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

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

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6633 -0.1420 0.0000   -0.4890 0.0000 -0.4702
H2 -1.5638 0.4351 0.0000   -0.5148 0.0000 -1.5394
Br3 0.8028 1.1149 0.0000   1.3732 0.0000 0.0411
Cl4 -0.6633 -1.1354 1.4559   -1.3122 1.4559 0.0859
Cl5 -0.6633 -1.1354 -1.4559   -1.3122 -1.4559 0.0859
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0695 1.9311 1.7625 1.7625
H2 1.0695 2.4622 2.3232 2.3232
Br3 1.9311 2.4622 3.0550 3.0550
Cl4 1.7625 2.3232 3.0550 2.9118
Cl5 1.7625 2.3232 3.0550 2.9118
Maximum atom distance is 3.0550Å 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 111.521 Br3 C1 Cl5 111.521
Cl4 C1 Cl5 111.385
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.737 H2 C1 Cl4 107.707
H2 C1 Cl5 107.707

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