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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8652   0.8652 0.0000 0.0000
C2 0.0000 0.7402 -0.7936   -0.7936 0.7402 0.0000
C3 0.0000 -0.7402 -0.7936   -0.7936 -0.7402 0.0000
H4 -0.9153 1.2500 -1.0800   -1.0800 1.2500 -0.9153
H5 0.9153 1.2500 -1.0800   -1.0800 1.2500 0.9153
H6 0.9153 -1.2500 -1.0800   -1.0800 -1.2500 0.9153
H7 -0.9153 -1.2500 -1.0800   -1.0800 -1.2500 -0.9153
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8165 1.8165 2.4868 2.4868 2.4868 2.4868
C2 1.8165 1.4803 1.0862 1.0862 2.2092 2.2092
C3 1.8165 1.4803 2.2092 2.2092 1.0862 1.0862
H4 2.4868 1.0862 2.2092 1.8307 3.0987 2.5001
H5 2.4868 1.0862 2.2092 1.8307 2.5001 3.0987
H6 2.4868 2.2092 1.0862 3.0987 2.5001 1.8307
H7 2.4868 2.2092 1.0862 2.5001 3.0987 1.8307
Maximum atom distance is 3.0987Å 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 65.954 S1 C3 C2 65.954
C2 S1 C3 48.092
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.599 S1 C2 H5 115.599
S1 C3 H6 115.599 S1 C3 H7 115.599
C2 C3 H6 117.996 C2 C3 H7 117.996
C3 C2 H4 117.996 C3 C2 H5 117.996
H4 C2 H5 114.850 H6 C3 H7 114.850

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