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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/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8614   0.8614 0.0000 0.0000
C2 0.0000 0.7644 -0.7789   -0.7789 0.7644 0.0000
C3 0.0000 -0.7644 -0.7789   -0.7789 -0.7644 0.0000
H4 -0.9194 1.2736 -1.1089   -1.1089 1.2736 -0.9194
H5 0.9194 1.2736 -1.1089   -1.1089 1.2736 0.9194
H6 0.9194 -1.2736 -1.1089   -1.1089 -1.2736 0.9194
H7 -0.9194 -1.2736 -1.1089   -1.1089 -1.2736 -0.9194
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8097 1.8097 2.5199 2.5199 2.5199 2.5199
C2 1.8097 1.5288 1.1016 1.1016 2.2600 2.2600
C3 1.8097 1.5288 2.2600 2.2600 1.1016 1.1016
H4 2.5199 1.1016 2.2600 1.8389 3.1416 2.5472
H5 2.5199 1.1016 2.2600 1.8389 2.5472 3.1416
H6 2.5199 2.2600 1.1016 3.1416 2.5472 1.8389
H7 2.5199 2.2600 1.1016 2.5472 3.1416 1.8389
Maximum atom distance is 3.1416Å 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 65.016 S1 C3 C2 65.016
C2 S1 C3 49.969
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 117.823 S1 C2 H5 117.823
S1 C3 H6 117.823 S1 C3 H7 117.823
C2 C3 H6 117.533 C2 C3 H7 117.533
C3 C2 H4 117.533 C3 C2 H5 117.533
H4 C2 H5 113.154 H6 C3 H7 113.154

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