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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/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 0.9150   0.9150 0.0000 0.0000
C2 0.0000 0.7296 -0.8550   -0.8550 0.7296 0.0000
C3 0.0000 -0.7296 -0.8550   -0.8550 -0.7296 0.0000
H4 -0.9043 1.2493 -1.0951   -1.0951 1.2493 -0.9043
H5 0.9043 1.2493 -1.0951   -1.0951 1.2493 0.9043
H6 0.9043 -1.2493 -1.0951   -1.0951 -1.2493 0.9043
H7 -0.9043 -1.2493 -1.0951   -1.0951 -1.2493 -0.9043
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9145 1.9145 2.5336 2.5336 2.5336 2.5336
C2 1.9145 1.4593 1.0702 1.0702 2.1890 2.1890
C3 1.9145 1.4593 2.1890 2.1890 1.0702 1.0702
H4 2.5336 1.0702 2.1890 1.8086 3.0845 2.4986
H5 2.5336 1.0702 2.1890 1.8086 2.4986 3.0845
H6 2.5336 2.1890 1.0702 3.0845 2.4986 1.8086
H7 2.5336 2.1890 1.0702 2.4986 3.0845 1.8086
Maximum atom distance is 3.0845Å 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 67.598 S1 C3 C2 67.598
C2 S1 C3 44.804
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.104 S1 C2 H5 113.104
S1 C3 H6 113.104 S1 C3 H7 113.104
C2 C3 H6 119.050 C2 C3 H7 119.050
C3 C2 H4 119.050 C3 C2 H5 119.050
H4 C2 H5 115.330 H6 C3 H7 115.330

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