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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

QCISD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1041 0.7994 0.0000   -0.3510 0.7183 -0.1041
H2 -1.0080 1.3966 0.0000   -0.6131 1.2548 -1.0080
F3 0.9908 1.5985 0.0000   -0.7018 1.4363 0.9908
Br4 -0.1041 -0.2940 1.6089   1.5746 0.4422 -0.1041
Br5 -0.1041 -0.2940 -1.6089   -1.3165 -0.9705 -0.1041
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0833 1.3554 1.9453 1.9453
H2 1.0833 2.0089 2.5027 2.5027
F3 1.3554 2.0089 2.7146 2.7146
Br4 1.9453 2.5027 2.7146 3.2177
Br5 1.9453 2.5027 2.7146 3.2177
Maximum atom distance is 3.2177Å 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 109.353 F3 C1 Br5 109.353
Br4 C1 Br5 111.597
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.426 H2 C1 Br4 108.049
H2 C1 Br5 108.049

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