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

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

B3LYP/STO-3G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6196
S2 0.0000 0.0000 1.0382
N3 0.0000 0.0000 -1.8420
Atom - Atom Distances (Å)
  C1 S2 N3
C1 1.6579 1.2223
S2 1.6579 2.8802
N3 1.2223 2.8802
Maximum atom distance is 2.8802Å 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.