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

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

HSEh1PBE/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.1216
N2 0.0000 0.0000 -2.2830
Br3 0.0000 0.0000 0.6489
Atom - Atom Distances (Å)
  C1 N2 Br3
C1 1.1614 1.7704
N2 1.1614 2.9318
Br3 1.7704 2.9318
Maximum atom distance is 2.9318Å 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.