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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

mPW1PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1567 1.6945 0.0000   1.6997 -0.0841 0.0000
C2 0.0000 0.4974 0.0000   0.4970 0.0213 0.0000
S3 0.0356 -1.0801 0.0000   -1.0806 -0.0106 0.0000
H4 0.5274 2.4353 0.0000   2.4105 0.6310 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.2073 2.7813 1.0083
C2 1.2073 1.5779 2.0084
S3 2.7813 1.5779 3.5496
H4 1.0083 2.0084 3.5496
Maximum atom distance is 3.5496Å 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 173.836
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 129.824

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