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

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

MP3/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6734 -0.1382 0.0000   0.3921 -0.5475 -0.1382
H2 -1.5885 0.4597 0.0000   0.9248 -1.2915 0.4597
Br3 0.8150 1.1185 0.0000   -0.4745 0.6626 1.1185
Cl4 -0.6734 -1.1405 1.4675   1.5852 0.3068 -1.1405
Cl5 -0.6734 -1.1405 -1.4675   -0.8011 -1.4019 -1.1405
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0930 1.9480 1.7772 1.7772
H2 1.0930 2.4921 2.3562 2.3562
Br3 1.9480 2.4921 3.0777 3.0777
Cl4 1.7772 2.3562 3.0777 2.9350
Cl5 1.7772 2.3562 3.0777 2.9350
Maximum atom distance is 3.0777Å 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 111.337 Br3 C1 Cl5 111.337
Cl4 C1 Cl5 111.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.664 H2 C1 Cl4 107.970
H2 C1 Cl5 107.970

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