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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/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8707   0.8707 0.0000 0.0000
C2 0.0000 0.7448 -0.8006   -0.8006 0.7448 0.0000
C3 0.0000 -0.7448 -0.8006   -0.8006 -0.7448 0.0000
H4 -0.9249 1.2595 -1.0812   -1.0812 1.2595 -0.9249
H5 0.9249 1.2595 -1.0812   -1.0812 1.2595 0.9249
H6 0.9249 -1.2595 -1.0812   -1.0812 -1.2595 0.9249
H7 -0.9249 -1.2595 -1.0812   -1.0812 -1.2595 -0.9249
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8298 1.8298 2.5004 2.5004 2.5004 2.5004
C2 1.8298 1.4896 1.0951 1.0951 2.2252 2.2252
C3 1.8298 1.4896 2.2252 2.2252 1.0951 1.0951
H4 2.5004 1.0951 2.2252 1.8499 3.1252 2.5189
H5 2.5004 1.0951 2.2252 1.8499 2.5189 3.1252
H6 2.5004 2.2252 1.0951 3.1252 2.5189 1.8499
H7 2.5004 2.2252 1.0951 2.5189 3.1252 1.8499
Maximum atom distance is 3.1252Å 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 65.980 S1 C3 C2 65.980
C2 S1 C3 48.040
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.177 S1 C2 H5 115.177
S1 C3 H6 115.177 S1 C3 H7 115.177
C2 C3 H6 118.032 C2 C3 H7 118.032
C3 C2 H4 118.032 C3 C2 H5 118.032
H4 C2 H5 115.269 H6 C3 H7 115.269

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