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

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

B2PLYP/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6738 -0.1400 0.0000   0.3817 -0.5553 -0.1400
H2 -1.5749 0.4554 0.0000   0.8922 -1.2978 0.4554
Br3 0.8151 1.1128 0.0000   -0.4618 0.6717 1.1128
Cl4 -0.6738 -1.1342 1.4579   1.5831 0.2707 -1.1342
Cl5 -0.6738 -1.1342 -1.4579   -0.8197 -1.3812 -1.1342
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0800 1.9459 1.7646 1.7646
H2 1.0800 2.4788 2.3376 2.3376
Br3 1.9459 2.4788 3.0646 3.0646
Cl4 1.7646 2.3376 3.0646 2.9158
Cl5 1.7646 2.3376 3.0646 2.9158
Maximum atom distance is 3.0646Å 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 111.269 Br3 C1 Cl5 111.269
Cl4 C1 Cl5 111.418
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.464 H2 C1 Cl4 108.096
H2 C1 Cl5 108.096

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