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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

B2PLYP=FULLultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6446 0.0000   0.4229 0.4864 0.0000
S2 -0.7808 -0.8114 0.0000   -1.1216 -0.1000 0.0000
N3 1.3368 0.8232 0.0000   1.5489 -0.2560 0.0000
H4 -0.5548 1.5913 0.0000   0.6255 1.5649 0.0000
H5 1.9458 0.0153 0.0000   1.4783 -1.2652 0.0000
H6 1.7444 1.7468 0.0000   2.4625 0.1735 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6522 1.3487 1.0973 2.0450 2.0634
S2 1.6522 2.6751 2.4134 2.8491 3.5946
N3 1.3487 2.6751 2.0416 1.0117 1.0095
H4 1.0973 2.4134 2.0416 2.9558 2.3044
H5 2.0450 2.8491 1.0117 2.9558 1.7432
H6 2.0634 3.5946 1.0095 2.3044 1.7432
Maximum atom distance is 3.5946Å 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 125.814
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.397 C1 N3 H6 121.422
S2 C1 H4 121.427 H5 N3 H6 119.181

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