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

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

mPW1PW91/6-311G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.1331
N2 0.0000 0.0000 -2.2870
Br3 0.0000 0.0000 0.6516
Atom - Atom Distances (Å)
  C1 N2 Br3
C1 1.1539 1.7847
N2 1.1539 2.9386
Br3 1.7847 2.9386
Maximum atom distance is 2.9386Å 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.