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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/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8660   0.8660 0.0000 0.0000
C2 0.0000 0.7433 -0.7941   -0.7941 0.7433 0.0000
C3 0.0000 -0.7433 -0.7941   -0.7941 -0.7433 0.0000
H4 -0.9119 1.2504 -1.0814   -1.0814 1.2504 -0.9119
H5 0.9119 1.2504 -1.0814   -1.0814 1.2504 0.9119
H6 0.9119 -1.2504 -1.0814   -1.0814 -1.2504 0.9119
H7 -0.9119 -1.2504 -1.0814   -1.0814 -1.2504 -0.9119
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8189 1.8189 2.4874 2.4874 2.4874 2.4874
C2 1.8189 1.4867 1.0822 1.0822 2.2111 2.2111
C3 1.8189 1.4867 2.2111 2.2111 1.0822 1.0822
H4 2.4874 1.0822 2.2111 1.8239 3.0952 2.5008
H5 2.4874 1.0822 2.2111 1.8239 2.5008 3.0952
H6 2.4874 2.2111 1.0822 3.0952 2.5008 1.8239
H7 2.4874 2.2111 1.0822 2.5008 3.0952 1.8239
Maximum atom distance is 3.0952Å 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 48.242
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.703 S1 C2 H5 115.703
S1 C3 H6 115.703 S1 C3 H7 115.703
C2 C3 H6 117.937 C2 C3 H7 117.937
C3 C2 H4 117.937 C3 C2 H5 117.937
H4 C2 H5 114.841 H6 C3 H7 114.841

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