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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/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 0.8610   0.8610 0.0000 0.0000
C2 0.0000 0.7372 -0.7928   -0.7928 0.7372 0.0000
C3 0.0000 -0.7372 -0.7928   -0.7928 -0.7372 0.0000
H4 -0.9098 1.2435 -1.0656   -1.0656 1.2435 -0.9098
H5 0.9098 1.2435 -1.0656   -1.0656 1.2435 0.9098
H6 0.9098 -1.2435 -1.0656   -1.0656 -1.2435 0.9098
H7 -0.9098 -1.2435 -1.0656   -1.0656 -1.2435 -0.9098
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8106 1.8106 2.4669 2.4669 2.4669 2.4669
C2 1.8106 1.4744 1.0763 1.0763 2.1966 2.1966
C3 1.8106 1.4744 2.1966 2.1966 1.0763 1.0763
H4 2.4669 1.0763 2.1966 1.8196 3.0815 2.4869
H5 2.4669 1.0763 2.1966 1.8196 2.4869 3.0815
H6 2.4669 2.1966 1.0763 3.0815 2.4869 1.8196
H7 2.4669 2.1966 1.0763 2.4869 3.0815 1.8196
Maximum atom distance is 3.0815Å 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 48.053
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.025 S1 C2 H5 115.025
S1 C3 H6 115.025 S1 C3 H7 115.025
C2 C3 H6 118.057 C2 C3 H7 118.057
C3 C2 H4 118.057 C3 C2 H5 118.057
H4 C2 H5 115.407 H6 C3 H7 115.407

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