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Geometry for C2H4S (Thiirane) 1A1 C2V

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

QCISD/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 0.8665   0.8665 0.0000 0.0000
C2 0.0000 0.7421 -0.7948   -0.7948 0.7421 0.0000
C3 0.0000 -0.7421 -0.7948   -0.7948 -0.7421 0.0000
H4 -0.9111 1.2499 -1.0818   -1.0818 1.2499 -0.9111
H5 0.9111 1.2499 -1.0818   -1.0818 1.2499 0.9111
H6 0.9111 -1.2499 -1.0818   -1.0818 -1.2499 0.9111
H7 -0.9111 -1.2499 -1.0818   -1.0818 -1.2499 -0.9111
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8196 1.8196 2.4877 2.4877 2.4877 2.4877
C2 1.8196 1.4843 1.0818 1.0818 2.2093 2.2093
C3 1.8196 1.4843 2.2093 2.2093 1.0818 1.0818
H4 2.4877 1.0818 2.2093 1.8223 3.0936 2.4999
H5 2.4877 1.0818 2.2093 1.8223 2.4999 3.0936
H6 2.4877 2.2093 1.0818 3.0936 2.4999 1.8223
H7 2.4877 2.2093 1.0818 2.4999 3.0936 1.8223
Maximum atom distance is 3.0936Å 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 65.929 S1 C3 C2 65.929
C2 S1 C3 48.142
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.698 S1 C2 H5 115.698
S1 C3 H6 115.698 S1 C3 H7 115.698
C2 C3 H6 117.994 C2 C3 H7 117.994
C3 C2 H4 117.994 C3 C2 H5 117.994
H4 C2 H5 114.750 H6 C3 H7 114.750

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