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Geometry for HSCN (thiocyanic acid) 1A' CS

1910171554
InChI=1S/CHNS/c2-1-3/h3H INChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-N

wB97X-D/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.0732 -0.9992 0.0000   -0.9996 -0.0670 0.0000
C2 0.0000 0.6993 0.0000   0.6993 -0.0043 0.0000
N3 -0.0132 1.8520 0.0000   1.8519 -0.0247 0.0000
H4 1.2635 -1.1728 0.0000   -1.1649 1.2707 0.0000
Atom - Atom Distances (Å)
  S1 C2 N3 H4
S1 1.7000 2.8518 1.3479
C2 1.7000 1.1527 2.2586
N3 2.8518 1.1527 3.2832
H4 1.3479 2.2586 3.2832
Maximum atom distance is 3.2832Å between atoms N3 and H4.
picture of thiocyanic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 N3 176.875
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 H4 94.932

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