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Geometry for C2H4S (Thiirane) 1A1 C2V

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

HSEh1PBE/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 0.9101   0.9101 0.0000 0.0000
C2 0.0000 0.7381 -0.8462   -0.8462 0.7381 0.0000
C3 0.0000 -0.7381 -0.8462   -0.8462 -0.7381 0.0000
H4 -0.9150 1.2598 -1.1017   -1.1017 1.2598 -0.9150
H5 0.9150 1.2598 -1.1017   -1.1017 1.2598 0.9150
H6 0.9150 -1.2598 -1.1017   -1.1017 -1.2598 0.9150
H7 -0.9150 -1.2598 -1.1017   -1.1017 -1.2598 -0.9150
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9050 1.9050 2.5439 2.5439 2.5439 2.5439
C2 1.9050 1.4762 1.0838 1.0838 2.2123 2.2123
C3 1.9050 1.4762 2.2123 2.2123 1.0838 1.0838
H4 2.5439 1.0838 2.2123 1.8300 3.1140 2.5196
H5 2.5439 1.0838 2.2123 1.8300 2.5196 3.1140
H6 2.5439 2.2123 1.0838 3.1140 2.5196 1.8300
H7 2.5439 2.2123 1.0838 2.5196 3.1140 1.8300
Maximum atom distance is 3.1140Å 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 67.204 S1 C3 C2 67.204
C2 S1 C3 45.591
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.821 S1 C2 H5 113.821
S1 C3 H6 113.821 S1 C3 H7 113.821
C2 C3 H6 118.773 C2 C3 H7 118.773
C3 C2 H4 118.773 C3 C2 H5 118.773
H4 C2 H5 115.177 H6 C3 H7 115.177

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