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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP4/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8764   0.8764 0.0000 0.0000
C2 0.0000 0.7478 -0.8054   -0.8054 0.7478 0.0000
C3 0.0000 -0.7478 -0.8054   -0.8054 -0.7478 0.0000
H4 -0.9263 1.2644 -1.0894   -1.0894 1.2644 -0.9263
H5 0.9263 1.2644 -1.0894   -1.0894 1.2644 0.9263
H6 0.9263 -1.2644 -1.0894   -1.0894 -1.2644 0.9263
H7 -0.9263 -1.2644 -1.0894   -1.0894 -1.2644 -0.9263
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8406 1.8406 2.5142 2.5142 2.5142 2.5142
C2 1.8406 1.4956 1.0979 1.0979 2.2333 2.2333
C3 1.8406 1.4956 2.2333 2.2333 1.0979 1.0979
H4 2.5142 1.0979 2.2333 1.8525 3.1348 2.5289
H5 2.5142 1.0979 2.2333 1.8525 2.5289 3.1348
H6 2.5142 2.2333 1.0979 3.1348 2.5289 1.8525
H7 2.5142 2.2333 1.0979 2.5289 3.1348 1.8525
Maximum atom distance is 3.1348Å 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 66.028 S1 C3 C2 66.028
C2 S1 C3 47.944
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.308 S1 C2 H5 115.308
S1 C3 H6 115.308 S1 C3 H7 115.308
C2 C3 H6 118.069 C2 C3 H7 118.069
C3 C2 H4 118.069 C3 C2 H5 118.069
H4 C2 H5 115.052 H6 C3 H7 115.052

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