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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2=FULL/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8632   0.8632 0.0000 0.0000
C2 0.0000 0.7412 -0.7931   -0.7931 0.7412 0.0000
C3 0.0000 -0.7412 -0.7931   -0.7931 -0.7412 0.0000
H4 -0.9163 1.2482 -1.0735   -1.0735 1.2482 -0.9163
H5 0.9163 1.2482 -1.0735   -1.0735 1.2482 0.9163
H6 0.9163 -1.2482 -1.0735   -1.0735 -1.2482 0.9163
H7 -0.9163 -1.2482 -1.0735   -1.0735 -1.2482 -0.9163
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8146 1.8146 2.4796 2.4796 2.4796 2.4796
C2 1.8146 1.4823 1.0841 1.0841 2.2081 2.2081
C3 1.8146 1.4823 2.2081 2.2081 1.0841 1.0841
H4 2.4796 1.0841 2.2081 1.8326 3.0968 2.4964
H5 2.4796 1.0841 2.2081 1.8326 2.4964 3.0968
H6 2.4796 2.2081 1.0841 3.0968 2.4964 1.8326
H7 2.4796 2.2081 1.0841 2.4964 3.0968 1.8326
Maximum atom distance is 3.0968Å 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 65.892 S1 C3 C2 65.892
C2 S1 C3 48.216
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.284 S1 C2 H5 115.284
S1 C3 H6 115.284 S1 C3 H7 115.284
C2 C3 H6 117.885 C2 C3 H7 117.885
C3 C2 H4 117.885 C3 C2 H5 117.885
H4 C2 H5 115.387 H6 C3 H7 115.387

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