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Geometry for C2H4S (Thiirane) 1A1 C2V

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

B3PW91/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8709   0.8709 0.0000 0.0000
C2 0.0000 0.7487 -0.8000   -0.8000 0.7487 0.0000
C3 0.0000 -0.7487 -0.8000   -0.8000 -0.7487 0.0000
H4 -0.9178 1.2542 -1.0838   -1.0838 1.2542 -0.9178
H5 0.9178 1.2542 -1.0838   -1.0838 1.2542 0.9178
H6 0.9178 -1.2542 -1.0838   -1.0838 -1.2542 0.9178
H7 -0.9178 -1.2542 -1.0838   -1.0838 -1.2542 -0.9178
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8310 1.8310 2.4973 2.4973 2.4973 2.4973
C2 1.8310 1.4974 1.0855 1.0855 2.2214 2.2214
C3 1.8310 1.4974 2.2214 2.2214 1.0855 1.0855
H4 2.4973 1.0855 2.2214 1.8355 3.1083 2.5085
H5 2.4973 1.0855 2.2214 1.8355 2.5085 3.1083
H6 2.4973 2.2214 1.0855 3.1083 2.5085 1.8355
H7 2.4973 2.2214 1.0855 2.5085 3.1083 1.8355
Maximum atom distance is 3.1083Å 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 65.864 S1 C3 C2 65.864
C2 S1 C3 48.273
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.403 S1 C2 H5 115.403
S1 C3 H6 115.403 S1 C3 H7 115.403
C2 C3 H6 117.755 C2 C3 H7 117.755
C3 C2 H4 117.755 C3 C2 H5 117.755
H4 C2 H5 115.442 H6 C3 H7 115.442

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