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Geometry for SCN (thiocyanato radical) 2Π C*V

1910171554
InChI=1S/CNS/c2-1-3 INChIKey=NYAZXHASVIWIRJ-UHFFFAOYSA-N

B3PW91/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6431
S2 0.0000 0.0000 1.0439
N3 0.0000 0.0000 -1.8347
Atom - Atom Distances (Å)
  C1 S2 N3
C1 1.6870 1.1916
S2 1.6870 2.8786
N3 1.1916 2.8786
Maximum atom distance is 2.8786Å between atoms S2 and N3.
picture of thiocyanato radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 N3 180.000

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