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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

1910171554
InChI=1S/CBr3Cl/c2-1(3,4)5 INChIKey=GKXZMEXQUWZGJK-UHFFFAOYSA-N

PBEPBEultrafine/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 0.3058   0.0000 0.0000 0.3058
Cl2 0.0000 0.0000 2.0898   0.0000 0.0000 2.0898
Br3 0.0000 1.8548 -0.3558   0.0000 1.8548 -0.3558
Br4 1.6063 -0.9274 -0.3558   1.6063 -0.9274 -0.3558
Br5 -1.6063 -0.9274 -0.3558   -1.6063 -0.9274 -0.3558
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.7840 1.9693 1.9693 1.9693
Cl2 1.7840 3.0694 3.0694 3.0694
Br3 1.9693 3.0694 3.2126 3.2126
Br4 1.9693 3.0694 3.2126 3.2126
Br5 1.9693 3.0694 3.2126 3.2126
Maximum atom distance is 3.2126Å between atoms Br4 and Br5.
picture of tribromochloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Br3 109.630 Cl2 C1 Br4 109.630
Cl2 C1 Br5 109.630 Br3 C1 Br4 109.312
Br3 C1 Br5 109.312 Br4 C1 Br5 109.312

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