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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

CCD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1401 1.6837 0.0000   1.6777 -0.1996 0.0000
C2 0.0000 0.4967 0.0000   0.4964 -0.0176 0.0000
S3 0.0312 -1.0771 0.0000   -1.0753 0.0693 0.0000
H4 0.4818 2.4677 0.0000   2.4832 0.3941 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.1952 2.7661 1.0007
C2 1.1952 1.5742 2.0289
S3 2.7661 1.5742 3.5733
H4 1.0007 2.0289 3.5733
Maximum atom distance is 3.5733Å 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 174.403
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 134.847

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