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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6579 0.0000   0.4447 0.4848 0.0000
S2 -0.7717 -0.8408 0.0000   -1.1371 -0.0980 0.0000
N3 1.3240 0.8667 0.0000   1.5616 -0.2562 0.0000
H4 -0.5797 1.5638 0.0000   0.6298 1.5443 0.0000
H5 1.9494 0.0918 0.0000   1.4987 -1.2500 0.0000
H6 1.7100 1.7832 0.0000   2.4655 0.1583 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6857 1.3404 1.0755 2.0299 2.0470
S2 1.6857 2.7032 2.4122 2.8765 3.6116
N3 1.3404 2.7032 2.0273 0.9957 0.9944
H4 1.0755 2.4122 2.0273 2.9262 2.3001
H5 2.0299 2.8765 0.9957 2.9262 1.7082
H6 2.0470 3.6116 0.9944 2.3001 1.7082
Maximum atom distance is 3.6116Å 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 126.206
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.947 C1 N3 H6 121.796
S2 C1 H4 120.138 H5 N3 H6 118.257

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