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Geometry for CFBr3 (fluorotribromomethane) 1A1 C3V

1910171554
InChI=1S/CBr3F/c2-1(3,4)5 INChIKey=IHZAEIHJPNTART-UHFFFAOYSA-N

MP2/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4174   0.0000 -0.0000 0.4174
F2 0.0000 0.0000 1.7587   0.0000 -0.0000 1.7587
Br3 0.0000 1.8130 -0.1746   1.8130 0.0000 -0.1746
Br4 1.5701 -0.9065 -0.1746   -0.9065 1.5701 -0.1746
Br5 -1.5701 -0.9065 -0.1746   -0.9065 -1.5701 -0.1746
Atom - Atom Distances (Å)
  C1 F2 Br3 Br4 Br5
C1 1.3412 1.9072 1.9072 1.9072
F2 1.3412 2.6503 2.6503 2.6503
Br3 1.9072 2.6503 3.1401 3.1401
Br4 1.9072 2.6503 3.1401 3.1401
Br5 1.9072 2.6503 3.1401 3.1401
Maximum atom distance is 3.1401Å between atoms Br4 and Br5.
picture of fluorotribromomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Br3 108.085 F2 C1 Br4 108.085
F2 C1 Br5 108.085 Br3 C1 Br4 110.821
Br3 C1 Br5 110.821 Br4 C1 Br5 110.821

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