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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 0.9261   0.9261 0.0000 0.0000
C2 0.0000 0.7454 -0.8607   -0.8607 0.7454 0.0000
C3 0.0000 -0.7454 -0.8607   -0.8607 -0.7454 0.0000
H4 -0.9179 1.2649 -1.1224   -1.1224 1.2649 -0.9179
H5 0.9179 1.2649 -1.1224   -1.1224 1.2649 0.9179
H6 0.9179 -1.2649 -1.1224   -1.1224 -1.2649 0.9179
H7 -0.9179 -1.2649 -1.1224   -1.1224 -1.2649 -0.9179
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9361 1.9361 2.5767 2.5767 2.5767 2.5767
C2 1.9361 1.4909 1.0867 1.0867 2.2254 2.2254
C3 1.9361 1.4909 2.2254 2.2254 1.0867 1.0867
H4 2.5767 1.0867 2.2254 1.8359 3.1258 2.5299
H5 2.5767 1.0867 2.2254 1.8359 2.5299 3.1258
H6 2.5767 2.2254 1.0867 3.1258 2.5299 1.8359
H7 2.5767 2.2254 1.0867 2.5299 3.1258 1.8359
Maximum atom distance is 3.1258Å 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 67.356 S1 C3 C2 67.356
C2 S1 C3 45.289
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.971 S1 C2 H5 113.971
S1 C3 H6 113.971 S1 C3 H7 113.971
C2 C3 H6 118.558 C2 C3 H7 118.558
C3 C2 H4 118.558 C3 C2 H5 118.558
H4 C2 H5 115.277 H6 C3 H7 115.277

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