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Geometry for HSCN (thiocyanic acid) 1A' CS

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

B3PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.0702 -1.0013 0.0000   -1.0015 -0.0674 0.0000
C2 0.0000 0.6952 0.0000   0.6952 -0.0020 0.0000
N3 -0.0206 1.8603 0.0000   1.8602 -0.0258 0.0000
H4 1.2678 -1.1718 0.0000   -1.1683 1.2711 0.0000
Atom - Atom Distances (Å)
  S1 C2 N3 H4
S1 1.6980 2.8620 1.3489
C2 1.6980 1.1652 2.2568
N3 2.8620 1.1652 3.2945
H4 1.3489 2.2568 3.2945
Maximum atom distance is 3.2945Å 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 176.618
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 H4 94.891

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