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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/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8627   0.8627 0.0000 0.0000
C2 0.0000 0.7408 -0.7914   -0.7914 0.7408 0.0000
C3 0.0000 -0.7408 -0.7914   -0.7914 -0.7408 0.0000
H4 -0.9115 1.2463 -1.0767   -1.0767 1.2463 -0.9115
H5 0.9115 1.2463 -1.0767   -1.0767 1.2463 0.9115
H6 0.9115 -1.2463 -1.0767   -1.0767 -1.2463 0.9115
H7 -0.9115 -1.2463 -1.0767   -1.0767 -1.2463 -0.9115
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8125 1.8125 2.4791 2.4791 2.4791 2.4791
C2 1.8125 1.4816 1.0807 1.0807 2.2047 2.2047
C3 1.8125 1.4816 2.2047 2.2047 1.0807 1.0807
H4 2.4791 1.0807 2.2047 1.8231 3.0881 2.4926
H5 2.4791 1.0807 2.2047 1.8231 2.4926 3.0881
H6 2.4791 2.2047 1.0807 3.0881 2.4926 1.8231
H7 2.4791 2.2047 1.0807 2.4926 3.0881 1.8231
Maximum atom distance is 3.0881Å 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 65.876 S1 C3 C2 65.876
C2 S1 C3 48.248
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.604 S1 C2 H5 115.604
S1 C3 H6 115.604 S1 C3 H7 115.604
C2 C3 H6 117.891 C2 C3 H7 117.891
C3 C2 H4 117.891 C3 C2 H5 117.891
H4 C2 H5 115.020 H6 C3 H7 115.020

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