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Geometry for C2H4S (Thiirane) 1A1 C2V

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

HF/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8601   0.8601 0.0000 0.0000
C2 0.0000 0.7371 -0.7912   -0.7912 0.7371 0.0000
C3 0.0000 -0.7371 -0.7912   -0.7912 -0.7371 0.0000
H4 -0.9060 1.2450 -1.0666   -1.0666 1.2450 -0.9060
H5 0.9060 1.2450 -1.0666   -1.0666 1.2450 0.9060
H6 0.9060 -1.2450 -1.0666   -1.0666 -1.2450 0.9060
H7 -0.9060 -1.2450 -1.0666   -1.0666 -1.2450 -0.9060
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8083 1.8083 2.4663 2.4663 2.4663 2.4663
C2 1.8083 1.4742 1.0745 1.0745 2.1967 2.1967
C3 1.8083 1.4742 2.1967 2.1967 1.0745 1.0745
H4 2.4663 1.0745 2.1967 1.8119 3.0795 2.4900
H5 2.4663 1.0745 2.1967 1.8119 2.4900 3.0795
H6 2.4663 2.1967 1.0745 3.0795 2.4900 1.8119
H7 2.4663 2.1967 1.0745 2.4900 3.0795 1.8119
Maximum atom distance is 3.0795Å 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 65.946 S1 C3 C2 65.946
C2 S1 C3 48.109
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.257 S1 C2 H5 115.257
S1 C3 H6 115.257 S1 C3 H7 115.257
C2 C3 H6 118.211 C2 C3 H7 118.211
C3 C2 H4 118.211 C3 C2 H5 118.211
H4 C2 H5 114.945 H6 C3 H7 114.945

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