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

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

mPW1PW91/3-21G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.1339
N2 0.0000 0.0000 -2.3000
Br3 0.0000 0.0000 0.6544
Atom - Atom Distances (Å)
  C1 N2 Br3
C1 1.1661 1.7883
N2 1.1661 2.9544
Br3 1.7883 2.9544
Maximum atom distance is 2.9544Å 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.