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Geometry for CFBr3 (fluorotribromomethane) 1A1 C3V

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

CCSD/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4314   0.0000 0.0000 0.4314
F2 0.0000 0.0000 1.7772   0.0000 0.0000 1.7772
Br3 0.0000 1.8527 -0.1770   0.0000 1.8527 -0.1770
Br4 1.6045 -0.9263 -0.1770   1.6045 -0.9263 -0.1770
Br5 -1.6045 -0.9263 -0.1770   -1.6045 -0.9263 -0.1770
Atom - Atom Distances (Å)
  C1 F2 Br3 Br4 Br5
C1 1.3457 1.9500 1.9500 1.9500
F2 1.3457 2.6928 2.6928 2.6928
Br3 1.9500 2.6928 3.2089 3.2089
Br4 1.9500 2.6928 3.2089 3.2089
Br5 1.9500 2.6928 3.2089 3.2089
Maximum atom distance is 3.2089Å 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 108.180 F2 C1 Br4 108.180
F2 C1 Br5 108.180 Br3 C1 Br4 110.731
Br3 C1 Br5 110.731 Br4 C1 Br5 110.731

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