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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/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8635   0.8635 0.0000 0.0000
C2 0.0000 0.7397 -0.7957   -0.7957 0.7397 0.0000
C3 0.0000 -0.7397 -0.7957   -0.7957 -0.7397 0.0000
H4 -0.9138 1.2497 -1.0672   -1.0672 1.2497 -0.9138
H5 0.9138 1.2497 -1.0672   -1.0672 1.2497 0.9138
H6 0.9138 -1.2497 -1.0672   -1.0672 -1.2497 0.9138
H7 -0.9138 -1.2497 -1.0672   -1.0672 -1.2497 -0.9138
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8166 1.8166 2.4747 2.4747 2.4747 2.4747
C2 1.8166 1.4794 1.0811 1.0811 2.2059 2.2059
C3 1.8166 1.4794 2.2059 2.2059 1.0811 1.0811
H4 2.4747 1.0811 2.2059 1.8276 3.0962 2.4993
H5 2.4747 1.0811 2.2059 1.8276 2.4993 3.0962
H6 2.4747 2.2059 1.0811 3.0962 2.4993 1.8276
H7 2.4747 2.2059 1.0811 2.4993 3.0962 1.8276
Maximum atom distance is 3.0962Å 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 65.973 S1 C3 C2 65.973
C2 S1 C3 48.055
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.927 S1 C2 H5 114.927
S1 C3 H6 114.927 S1 C3 H7 114.927
C2 C3 H6 118.146 C2 C3 H7 118.146
C3 C2 H4 118.146 C3 C2 H5 118.146
H4 C2 H5 115.392 H6 C3 H7 115.392

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