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

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

PBE1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6715 -0.1395 0.0000   0.3852 -0.5500 -0.1395
H2 -1.5748 0.4635 0.0000   0.9033 -1.2900 0.4635
Br3 0.8124 1.1066 0.0000   -0.4660 0.6654 1.1066
Cl4 -0.6715 -1.1282 1.4612   1.5821 0.2881 -1.1282
Cl5 -0.6715 -1.1282 -1.4612   -0.8118 -1.3882 -1.1282
Atom - Atom Distances (Å)
  C1 H2 Br3 Cl4 Cl5
C1 1.0861 1.9376 1.7643 1.7643
H2 1.0861 2.4723 2.3420 2.3420
Br3 1.9376 2.4723 3.0547 3.0547
Cl4 1.7643 2.3420 3.0547 2.9224
Cl5 1.7643 2.3420 3.0547 2.9224
Maximum atom distance is 3.0547Å 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 111.125 Br3 C1 Cl5 111.125
Cl4 C1 Cl5 111.830
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 106.253 H2 C1 Cl4 108.128
H2 C1 Cl5 108.128

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