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Geometry for CF3Br (Bromotrifluoromethane) 1A1 C3V

1910171554
InChI=1S/CBrF3/c2-1(3,4)5 INChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N

MP4=FULL/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 -0.8181   -0.8181 0.0000 0.0000
Br2 0.0000 0.0000 1.1260   1.1260 0.0000 0.0000
F3 0.0000 1.2531 -1.2779   -1.2779 -0.5721 1.1149
F4 1.0853 -0.6266 -1.2779   -1.2779 1.2516 -0.0620
F5 -1.0853 -0.6266 -1.2779   -1.2779 -0.6795 -1.0529
Atom - Atom Distances (Å)
  C1 Br2 F3 F4 F5
C1 1.9442 1.3348 1.3348 1.3348
Br2 1.9442 2.7109 2.7109 2.7109
F3 1.3348 2.7109 2.1705 2.1705
F4 1.3348 2.7109 2.1705 2.1705
F5 1.3348 2.7109 2.1705 2.1705
Maximum atom distance is 2.7109Å between atoms Br2 and F4.
picture of Bromotrifluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 F3 110.147 Br2 C1 F4 110.147
Br2 C1 F5 110.147 F3 C1 F4 108.787
F3 C1 F5 108.787 F4 C1 F5 108.787

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