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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

mPW1PW91/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0722 1.7052 0.0000   1.7015 -0.1325 0.0000
C2 0.0000 0.5200 0.0000   0.5196 -0.0184 0.0000
S3 0.0203 -1.1075 0.0000   -1.1061 0.0595 0.0000
H4 0.1808 2.6641 0.0000   2.6689 0.0863 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.1874 2.8142 0.9918
C2 1.1874 1.6276 2.1518
S3 2.8142 1.6276 3.7750
H4 0.9918 2.1518 3.7750
Maximum atom distance is 3.7750Å 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 177.230
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 161.741

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