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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8603   0.8603 0.0000 0.0000
C2 0.0000 0.7399 -0.7920   -0.7920 0.7399 0.0000
C3 0.0000 -0.7399 -0.7920   -0.7920 -0.7399 0.0000
H4 -0.9149 1.2469 -1.0654   -1.0654 1.2469 -0.9149
H5 0.9149 1.2469 -1.0654   -1.0654 1.2469 0.9149
H6 0.9149 -1.2469 -1.0654   -1.0654 -1.2469 0.9149
H7 -0.9149 -1.2469 -1.0654   -1.0654 -1.2469 -0.9149
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8104 1.8104 2.4699 2.4699 2.4699 2.4699
C2 1.8104 1.4797 1.0811 1.0811 2.2043 2.2043
C3 1.8104 1.4797 2.2043 2.2043 1.0811 1.0811
H4 2.4699 1.0811 2.2043 1.8298 3.0930 2.4938
H5 2.4699 1.0811 2.2043 1.8298 2.4938 3.0930
H6 2.4699 2.2043 1.0811 3.0930 2.4938 1.8298
H7 2.4699 2.2043 1.0811 2.4938 3.0930 1.8298
Maximum atom distance is 3.0930Å 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 65.879 S1 C3 C2 65.879
C2 S1 C3 48.243
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.990 S1 C2 H5 114.990
S1 C3 H6 114.990 S1 C3 H7 114.990
C2 C3 H6 117.968 C2 C3 H7 117.968
C3 C2 H4 117.968 C3 C2 H5 117.968
H4 C2 H5 115.609 H6 C3 H7 115.609

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