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Geometry for HSCN (thiocyanic acid) 1A' CS

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.0714 -0.9982 0.0000   -0.9984 -0.0683 0.0000
C2 0.0000 0.6947 0.0000   0.6947 -0.0022 0.0000
N3 -0.0176 1.8548 0.0000   1.8548 -0.0235 0.0000
H4 1.2657 -1.1817 0.0000   -1.1777 1.2694 0.0000
Atom - Atom Distances (Å)
  S1 C2 N3 H4
S1 1.6944 2.8535 1.3496
C2 1.6944 1.1602 2.2634
N3 2.8535 1.1602 3.2966
H4 1.3496 2.2634 3.2966
Maximum atom distance is 3.2966Å 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 176.654
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 H4 95.467

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