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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

AM1


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
N1 -0.2899 1.6239 0.0000
C2 0.0000 0.4385 0.0000
S3 0.1148 -1.0296 0.0000
H4 0.1930 2.4757 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.2203 2.6842 0.9792
C2 1.2203 1.4726 2.0463
S3 2.6842 1.4726 3.5062
H4 0.9792 2.0463 3.5062
Maximum atom distance is 3.5062Å 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 170.727
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 136.708

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