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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

CCSD(T)/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1631 1.6967 0.0000   1.7024 -0.0847 0.0000
C2 0.0000 0.4981 0.0000   0.4975 0.0229 0.0000
S3 0.0389 -1.0813 0.0000   -1.0819 -0.0109 0.0000
H4 0.5186 2.4351 0.0000   2.4086 0.6302 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.2096 2.7852 1.0050
C2 1.2096 1.5798 2.0052
S3 2.7852 1.5798 3.5489
H4 1.0050 2.0052 3.5489
Maximum atom distance is 3.5489Å 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 173.665
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 129.541

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