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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

PBEPBE/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6427 0.0000   -0.3912 -0.5100 0.0000
S2 -0.7797 -0.8143 0.0000   1.1143 0.1715 0.0000
N3 1.3347 0.8290 0.0000   -1.5635 0.1545 0.0000
H4 -0.5595 1.5909 0.0000   -0.5243 -1.6028 0.0000
H5 1.9503 0.0187 0.0000   -1.5589 1.1721 0.0000
H6 1.7421 1.7592 0.0000   -2.4530 -0.3355 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6525 1.3476 1.1009 2.0477 2.0691
S2 1.6525 2.6778 2.4152 2.8543 3.6031
N3 1.3476 2.6778 2.0416 1.0176 1.0155
H4 1.1009 2.4152 2.0416 2.9615 2.3077
H5 2.0477 2.8543 1.0176 2.9615 1.7528
H6 2.0691 3.6031 1.0155 2.3077 1.7528
Maximum atom distance is 3.6031Å 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 126.098
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.283 C1 N3 H6 121.599
S2 C1 H4 121.303 H5 N3 H6 119.118

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