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Geometry for C2H4S (Thiirane) 1A1 C2V

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

TPSSh/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8642   0.8642 0.0000 0.0000
C2 0.0000 0.7424 -0.7956   -0.7956 0.7424 0.0000
C3 0.0000 -0.7424 -0.7956   -0.7956 -0.7424 0.0000
H4 -0.9147 1.2585 -1.0698   -1.0698 1.2585 -0.9147
H5 0.9147 1.2585 -1.0698   -1.0698 1.2585 0.9147
H6 0.9147 -1.2585 -1.0698   -1.0698 -1.2585 0.9147
H7 -0.9147 -1.2585 -1.0698   -1.0698 -1.2585 -0.9147
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8183 1.8183 2.4821 2.4821 2.4821 2.4821
C2 1.8183 1.4849 1.0855 1.0855 2.2171 2.2171
C3 1.8183 1.4849 2.2171 2.2171 1.0855 1.0855
H4 2.4821 1.0855 2.2171 1.8295 3.1117 2.5171
H5 2.4821 1.0855 2.2171 1.8295 2.5171 3.1117
H6 2.4821 2.2171 1.0855 3.1117 2.5171 1.8295
H7 2.4821 2.2171 1.0855 2.5171 3.1117 1.8295
Maximum atom distance is 3.1117Å 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 65.901 S1 C3 C2 65.901
C2 S1 C3 48.198
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.131 S1 C2 H5 115.131
S1 C3 H6 115.131 S1 C3 H7 115.131
C2 C3 H6 118.389 C2 C3 H7 118.389
C3 C2 H4 118.389 C3 C2 H5 118.389
H4 C2 H5 114.854 H6 C3 H7 114.854

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