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Geometry for CFBr3 (fluorotribromomethane) 1A1 C3V

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

MP3/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4363   0.0000 0.0000 0.4363
F2 0.0000 0.0000 1.7799   0.0000 0.0000 1.7799
Br3 0.0000 1.8467 -0.1775   0.0000 1.8467 -0.1775
Br4 1.5993 -0.9234 -0.1775   1.5993 -0.9234 -0.1775
Br5 -1.5993 -0.9234 -0.1775   -1.5993 -0.9234 -0.1775
Atom - Atom Distances (Å)
  C1 F2 Br3 Br4 Br5
C1 1.3436 1.9460 1.9460 1.9460
F2 1.3436 2.6910 2.6910 2.6910
Br3 1.9460 2.6910 3.1986 3.1986
Br4 1.9460 2.6910 3.1986 3.1986
Br5 1.9460 2.6910 3.1986 3.1986
Maximum atom distance is 3.1986Å 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 108.386 F2 C1 Br4 108.386
F2 C1 Br5 108.386 Br3 C1 Br4 110.535
Br3 C1 Br5 110.535 Br4 C1 Br5 110.535

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