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Geometry for C2H4S (Thiirane) 1A1 C2V

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

HF/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9240   0.9240 0.0000 0.0000
C2 0.0000 0.7316 -0.8660   -0.8660 0.7316 0.0000
C3 0.0000 -0.7316 -0.8660   -0.8660 -0.7316 0.0000
H4 -0.9095 1.2446 -1.0979   -1.0979 1.2446 -0.9095
H5 0.9095 1.2446 -1.0979   -1.0979 1.2446 0.9095
H6 0.9095 -1.2446 -1.0979   -1.0979 -1.2446 0.9095
H7 -0.9095 -1.2446 -1.0979   -1.0979 -1.2446 -0.9095
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9338 1.9338 2.5426 2.5426 2.5426 2.5426
C2 1.9338 1.4632 1.0697 1.0697 2.1878 2.1878
C3 1.9338 1.4632 2.1878 2.1878 1.0697 1.0697
H4 2.5426 1.0697 2.1878 1.8191 3.0831 2.4893
H5 2.5426 1.0697 2.1878 1.8191 2.4893 3.0831
H6 2.5426 2.1878 1.0697 3.0831 2.4893 1.8191
H7 2.5426 2.1878 1.0697 2.4893 3.0831 1.8191
Maximum atom distance is 3.0831Å 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 67.770 S1 C3 C2 67.770
C2 S1 C3 44.460
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 112.465 S1 C2 H5 112.465
S1 C3 H6 112.465 S1 C3 H7 112.465
C2 C3 H6 118.661 C2 C3 H7 118.661
C3 C2 H4 118.661 C3 C2 H5 118.661
H4 C2 H5 116.483 H6 C3 H7 116.483

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