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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=FULL/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 0.8644   0.8644 0.0000 0.0000
C2 0.0000 0.7394 -0.7928   -0.7928 0.7394 0.0000
C3 0.0000 -0.7394 -0.7928   -0.7928 -0.7394 0.0000
H4 -0.9151 1.2489 -1.0791   -1.0791 1.2489 -0.9151
H5 0.9151 1.2489 -1.0791   -1.0791 1.2489 0.9151
H6 0.9151 -1.2489 -1.0791   -1.0791 -1.2489 0.9151
H7 -0.9151 -1.2489 -1.0791   -1.0791 -1.2489 -0.9151
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8147 1.8147 2.4848 2.4848 2.4848 2.4848
C2 1.8147 1.4787 1.0858 1.0858 2.2074 2.2074
C3 1.8147 1.4787 2.2074 2.2074 1.0858 1.0858
H4 2.4848 1.0858 2.2074 1.8303 3.0966 2.4978
H5 2.4848 1.0858 2.2074 1.8303 2.4978 3.0966
H6 2.4848 2.2074 1.0858 3.0966 2.4978 1.8303
H7 2.4848 2.2074 1.0858 2.4978 3.0966 1.8303
Maximum atom distance is 3.0966Å 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 65.956 S1 C3 C2 65.956
C2 S1 C3 48.088
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.589 S1 C2 H5 115.589
S1 C3 H6 115.589 S1 C3 H7 115.589
C2 C3 H6 117.987 C2 C3 H7 117.987
C3 C2 H4 117.987 C3 C2 H5 117.987
H4 C2 H5 114.874 H6 C3 H7 114.874

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