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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

PBEPBEultrafine/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6419 0.0000   0.4205 0.4850 0.0000
S2 -0.7804 -0.8085 0.0000   -1.1193 -0.0998 0.0000
N3 1.3351 0.8199 0.0000   1.5459 -0.2550 0.0000
H4 -0.5525 1.5919 0.0000   0.6253 1.5648 0.0000
H5 1.9452 0.0075 0.0000   1.4747 -1.2685 0.0000
H6 1.7471 1.7463 0.0000   2.4640 0.1751 0.0000
Atom - Atom Distances (Å)
  C1 S2 N3 H4 H5 H6
C1 1.6470 1.3469 1.0990 2.0460 2.0669
S2 1.6470 2.6697 2.4112 2.8451 3.5938
N3 1.3469 2.6697 2.0394 1.0160 1.0138
H4 1.0990 2.4112 2.0394 2.9578 2.3048
H5 2.0460 2.8451 1.0160 2.9578 1.7500
H6 2.0669 3.5938 1.0138 2.3048 1.7500
Maximum atom distance is 3.5938Å 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 125.877
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.309 C1 N3 H6 121.572
S2 C1 H4 121.539 H5 N3 H6 119.119

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