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

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

PBEPBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6414 -0.1232 0.0000   0.3597 -0.5310 -0.1232
H2 -1.6330 0.3926 0.0000   0.9159 -1.3519 0.3926
Br3 0.7797 1.1732 0.0000   -0.4373 0.6455 1.1732
Cl4 -0.6414 -1.1975 1.5226   1.6203 0.3230 -1.1975
Cl5 -0.6414 -1.1975 -1.5226   -0.9008 -1.3850 -1.1975
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.1177 1.9235 1.8635 1.8635
H2 1.1177 2.5358 2.4146 2.4146
Br3 1.9235 2.5358 3.1556 3.1556
Cl4 1.8635 2.4146 3.1556 3.0452
Cl5 1.8635 2.4146 3.1556 3.0452
Maximum atom distance is 3.1556Å 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 112.865 Br3 C1 Cl5 112.865
Cl4 C1 Cl5 109.586
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 110.143 H2 C1 Cl4 105.430
H2 C1 Cl5 105.430

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