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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8625   0.8625 0.0000 0.0000
C2 0.0000 0.7427 -0.7918   -0.7918 0.7427 0.0000
C3 0.0000 -0.7427 -0.7918   -0.7918 -0.7427 0.0000
H4 -0.9173 1.2474 -1.0747   -1.0747 1.2474 -0.9173
H5 0.9173 1.2474 -1.0747   -1.0747 1.2474 0.9173
H6 0.9173 -1.2474 -1.0747   -1.0747 -1.2474 0.9173
H7 -0.9173 -1.2474 -1.0747   -1.0747 -1.2474 -0.9173
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8134 1.8134 2.4800 2.4800 2.4800 2.4800
C2 1.8134 1.4854 1.0845 1.0845 2.2096 2.2096
C3 1.8134 1.4854 2.2096 2.2096 1.0845 1.0845
H4 2.4800 1.0845 2.2096 1.8346 3.0968 2.4949
H5 2.4800 1.0845 2.2096 1.8346 2.4949 3.0968
H6 2.4800 2.2096 1.0845 3.0968 2.4949 1.8346
H7 2.4800 2.2096 1.0845 2.4949 3.0968 1.8346
Maximum atom distance is 3.0968Å 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 65.823 S1 C3 C2 65.823
C2 S1 C3 48.354
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.377 S1 C2 H5 115.377
S1 C3 H6 115.377 S1 C3 H7 115.377
C2 C3 H6 117.735 C2 C3 H7 117.735
C3 C2 H4 117.735 C3 C2 H5 117.735
H4 C2 H5 115.515 H6 C3 H7 115.515

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