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Geometry for CF3Br (Bromotrifluoromethane) 1A1 C3V

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

B3PW91/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.8208   -0.8208 0.0000 0.0000
Br2 0.0000 0.0000 1.1215   1.1215 0.0000 0.0000
F3 0.0000 1.2482 -1.2714   -1.2714 1.2482 0.0000
F4 1.0809 -0.6241 -1.2714   -1.2714 -0.6241 1.0809
F5 -1.0809 -0.6241 -1.2714   -1.2714 -0.6241 -1.0809
Atom - Atom Distances (Å)
  C1 Br2 F3 F4 F5
C1 1.9423 1.3270 1.3270 1.3270
Br2 1.9423 2.6989 2.6989 2.6989
F3 1.3270 2.6989 2.1619 2.1619
F4 1.3270 2.6989 2.1619 2.1619
F5 1.3270 2.6989 2.1619 2.1619
Maximum atom distance is 2.6989Å between atoms Br2 and F3.
picture of Bromotrifluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 F3 109.848 Br2 C1 F4 109.848
Br2 C1 F5 109.848 F3 C1 F4 109.091
F3 C1 F5 109.091 F4 C1 F5 109.091

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