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Geometry for CHSNH2 (thioformamide) 1A' CS

1910171554
InChI=1S/CH3NS/c2-1-3/h1H,(H2,2,3) INChIKey=CYEBJEDOHLIWNP-UHFFFAOYSA-N

wB97X-D/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6374 0.0000   -0.4190 -0.4803 0.0000
S2 -0.7741 -0.8040 0.0000   1.1118 0.0970 0.0000
N3 1.3246 0.8163 0.0000   -1.5348 0.2556 0.0000
H4 -0.5516 1.5803 0.0000   -0.6231 -1.5534 0.0000
H5 1.9305 0.0116 0.0000   -1.4624 1.2603 0.0000
H6 1.7344 1.7336 0.0000   -2.4466 -0.1663 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6361 1.3366 1.0923 2.0295 2.0517
S2 1.6361 2.6513 2.3946 2.8249 3.5681
N3 1.3366 2.6513 2.0257 1.0073 1.0047
H4 1.0923 2.3946 2.0257 2.9363 2.2911
H5 2.0295 2.8249 1.0073 2.9363 1.7331
H6 2.0517 3.5681 1.0047 2.2911 1.7331
Maximum atom distance is 3.5681Å between atoms S2 and H6.
picture of thioformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 N3 125.927
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.292 C1 N3 H6 121.764
S2 C1 H4 121.435 H5 N3 H6 118.944

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