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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 0.9293   0.9293 0.0000 0.0000
C2 0.0000 0.7439 -0.8649   -0.8649 0.7439 0.0000
C3 0.0000 -0.7439 -0.8649   -0.8649 -0.7439 0.0000
H4 -0.9185 1.2644 -1.1225   -1.1225 1.2644 -0.9185
H5 0.9185 1.2644 -1.1225   -1.1225 1.2644 0.9185
H6 0.9185 -1.2644 -1.1225   -1.1225 -1.2644 0.9185
H7 -0.9185 -1.2644 -1.1225   -1.1225 -1.2644 -0.9185
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9423 1.9423 2.5792 2.5792 2.5792 2.5792
C2 1.9423 1.4879 1.0867 1.0867 2.2234 2.2234
C3 1.9423 1.4879 2.2234 2.2234 1.0867 1.0867
H4 2.5792 1.0867 2.2234 1.8370 3.1256 2.5288
H5 2.5792 1.0867 2.2234 1.8370 2.5288 3.1256
H6 2.5792 2.2234 1.0867 3.1256 2.5288 1.8370
H7 2.5792 2.2234 1.0867 2.5288 3.1256 1.8370
Maximum atom distance is 3.1256Å 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 67.480 S1 C3 C2 67.480
C2 S1 C3 45.041
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.728 S1 C2 H5 113.728
S1 C3 H6 113.728 S1 C3 H7 113.728
C2 C3 H6 118.617 C2 C3 H7 118.617
C3 C2 H4 118.617 C3 C2 H5 118.617
H4 C2 H5 115.394 H6 C3 H7 115.394

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