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Geometry for C2H4S (Thiirane) 1A1 C2V

1910171554
InChI=1S/C2H4S/c1-2-3-1/h1-2H2 INChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N

MP3=FULL/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8645   0.8645 0.0000 0.0000
C2 0.0000 0.7418 -0.7929   -0.7929 0.7418 0.0000
C3 0.0000 -0.7418 -0.7929   -0.7929 -0.7418 0.0000
H4 -0.9137 1.2521 -1.0792   -1.0792 1.2521 -0.9137
H5 0.9137 1.2521 -1.0792   -1.0792 1.2521 0.9137
H6 0.9137 -1.2521 -1.0792   -1.0792 -1.2521 0.9137
H7 -0.9137 -1.2521 -1.0792   -1.0792 -1.2521 -0.9137
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8159 1.8159 2.4860 2.4860 2.4860 2.4860
C2 1.8159 1.4837 1.0849 1.0849 2.2119 2.2119
C3 1.8159 1.4837 2.2119 2.2119 1.0849 1.0849
H4 2.4860 1.0849 2.2119 1.8273 3.1000 2.5042
H5 2.4860 1.0849 2.2119 1.8273 2.5042 3.1000
H6 2.4860 2.2119 1.0849 3.1000 2.5042 1.8273
H7 2.4860 2.2119 1.0849 2.5042 3.1000 1.8273
Maximum atom distance is 3.1000Å between atoms H4 and H6.
picture of Thiirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C3 65.888 S1 C3 C2 65.888
C2 S1 C3 48.224
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.655 S1 C2 H5 115.655
S1 C3 H6 115.655 S1 C3 H7 115.655
C2 C3 H6 118.056 C2 C3 H7 118.056
C3 C2 H4 118.056 C3 C2 H5 118.056
H4 C2 H5 114.732 H6 C3 H7 114.732

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