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Geometry for BrCN (Cyanogen bromide) 1Σ C*V

1910171554
InChI=1S/CBrN/c2-1-3 INChIKey=ATDGTVJJHBUTRL-UHFFFAOYSA-N

mPW1PW91/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.1498
N2 0.0000 0.0000 -2.3208
Br3 0.0000 0.0000 0.6613
Atom - Atom Distances (Å)
  C1 N2 Br3
C1 1.1710 1.8111
N2 1.1710 2.9821
Br3 1.8111 2.9821
Maximum atom distance is 2.9821Å between atoms N2 and Br3.
picture of Cyanogen bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 Br3 180.000

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