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Geometry for CF3Br (Bromotrifluoromethane) 1A1 C3V

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

CCSD/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 -0.8161   -0.8161 0.0000 -0.0000
Br2 0.0000 0.0000 1.1234   1.1234 0.0000 0.0000
F3 0.0000 1.2509 -1.2749   -1.2749 -1.2509 -0.0000
F4 1.0833 -0.6254 -1.2749   -1.2749 0.6254 -1.0833
F5 -1.0833 -0.6254 -1.2749   -1.2749 0.6254 1.0833
Atom - Atom Distances (Å)
  C1 Br2 F3 F4 F5
C1 1.9394 1.3324 1.3324 1.3324
Br2 1.9394 2.7048 2.7048 2.7048
F3 1.3324 2.7048 2.1666 2.1666
F4 1.3324 2.7048 2.1666 2.1666
F5 1.3324 2.7048 2.1666 2.1666
Maximum atom distance is 2.7048Å 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 110.141 Br2 C1 F4 110.141
Br2 C1 F5 110.141 F3 C1 F4 108.793
F3 C1 F5 108.793 F4 C1 F5 108.793

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