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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

1910171554
InChI=1S/CHBr2F/c2-1(3)4/h1H INChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1026 0.8107 0.0000   -0.3524 0.7302 -0.1026
H2 -1.0298 1.3960 0.0000   -0.6067 1.2572 -1.0298
F3 0.9805 1.6159 0.0000   -0.7023 1.4553 0.9805
Br4 -0.1026 -0.2972 1.6158   1.5844 0.4346 -0.1026
Br5 -0.1026 -0.2972 -1.6158   -1.3261 -0.9699 -0.1026
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0965 1.3495 1.9592 1.9592
H2 1.0965 2.0223 2.5174 2.5174
F3 1.3495 2.0223 2.7283 2.7283
Br4 1.9592 2.5174 2.7283 3.2316
Br5 1.9592 2.5174 2.7283 3.2316
Maximum atom distance is 3.2316Å between atoms Br4 and Br5.
picture of dibromofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Br4 109.717 F3 C1 Br5 109.717
Br4 C1 Br5 111.125
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 111.115 H2 C1 Br4 107.568
H2 C1 Br5 107.568

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