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Geometry for HNCS (Isothiocyanic acid) 1A' CS

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

B2PLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1438 1.7195 0.0000   1.7245 -0.0588 0.0000
C2 0.0000 0.5249 0.0000   0.5242 0.0259 0.0000
S3 0.0474 -1.1140 0.0000   -1.1150 -0.0077 0.0000
H4 0.2489 2.6380 0.0000   2.6225 0.3788 0.0000
Atom - Atom Distances (Å)
  N1 C2 S3 H4
N1 1.2033 2.8400 0.9989
C2 1.2033 1.6395 2.1277
S3 2.8400 1.6395 3.7574
H4 0.9989 2.1277 3.7574
Maximum atom distance is 3.7574Å 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 174.791
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N1 H4 149.982

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