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Geometry for CH2CHSH (Ethenethiol) 1A' CS

1910171554
InChI=1S/C2H4S/c1-2-3/h2-3H,1H2 INChIKey=QDXBVEACAWKSFL-UHFFFAOYSA-N

CCD/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2889 1.0936 0.0000   1.6702 0.2600 0.0000
C2 0.0000 0.7637 0.0000   0.5778 -0.4994 0.0000
S3 -0.6931 -0.8523 0.0000   -1.0981 0.0330 0.0000
H4 2.0735 0.3501 0.0000   1.6208 1.3398 0.0000
H5 1.5825 2.1327 0.0000   2.6484 -0.1973 0.0000
H6 -0.7634 1.5303 0.0000   0.6586 -1.5782 0.0000
H7 0.4640 -1.5193 0.0000   -0.8461 1.3445 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.3305 2.7776 1.0809 1.0798 2.0982 2.7401
C2 1.3305 1.7584 2.1143 2.0925 1.0819 2.3296
S3 2.7776 1.7584 3.0166 3.7536 2.3837 1.3356
H4 1.0809 2.1143 3.0166 1.8489 3.0725 2.4668
H5 1.0798 2.0925 3.7536 1.8489 2.4220 3.8195
H6 2.0982 1.0819 2.3837 3.0725 2.4220 3.2873
H7 2.7401 2.3296 1.3356 2.4668 3.8195 3.2873
Maximum atom distance is 3.8195Å between atoms H5 and H7.
picture of Ethenethiol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 S3 127.575
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.518 C2 C1 H4 122.180
C2 C1 H5 120.140 C2 S3 H7 96.744
S3 C2 H6 111.906 H4 C1 H5 117.681

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