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Geometry for HNCS (Isothiocyanic acid) 1A' CS

1910171554
InChI=1S/CHNS/c2-1-3/h2H INChIKey=GRHBQAYDJPGGLF-UHFFFAOYSA-N

CCSD=FULL/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1332 1.6836 0.0000   1.6870 -0.0796 0.0000
C2 0.0000 0.4943 0.0000   0.4940 0.0157 0.0000
S3 0.0247 -1.0736 0.0000   -1.0738 -0.0094 0.0000
H4 0.5368 2.4261 0.0000   2.4078 0.6137 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.1968 2.7617 1.0002
C2 1.1968 1.5680 2.0051
S3 2.7617 1.5680 3.5370
H4 1.0002 2.0051 3.5370
Maximum atom distance is 3.5370Å between atoms S3 and H4.
picture of Isothiocyanic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 S3 174.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 131.545

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