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Geometry for C2H4S (Thiirane) 1A1 C2V

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

B3PW91/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9199   0.9199 0.0000 0.0000
C2 0.0000 0.7415 -0.8581   -0.8581 0.7415 0.0000
C3 0.0000 -0.7415 -0.8581   -0.8581 -0.7415 0.0000
H4 -0.9216 1.2559 -1.1051   -1.1051 1.2559 -0.9216
H5 0.9216 1.2559 -1.1051   -1.1051 1.2559 0.9216
H6 0.9216 -1.2559 -1.1051   -1.1051 -1.2559 0.9216
H7 -0.9216 -1.2559 -1.1051   -1.1051 -1.2559 -0.9216
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9264 1.9264 2.5549 2.5549 2.5549 2.5549
C2 1.9264 1.4830 1.0840 1.0840 2.2136 2.2136
C3 1.9264 1.4830 2.2136 2.2136 1.0840 1.0840
H4 2.5549 1.0840 2.2136 1.8433 3.1156 2.5118
H5 2.5549 1.0840 2.2136 1.8433 2.5118 3.1156
H6 2.5549 2.2136 1.0840 3.1156 2.5118 1.8433
H7 2.5549 2.2136 1.0840 2.5118 3.1156 1.8433
Maximum atom distance is 3.1156Å 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 67.362 S1 C3 C2 67.362
C2 S1 C3 45.276
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.138 S1 C2 H5 113.138
S1 C3 H6 113.138 S1 C3 H7 113.138
C2 C3 H6 118.329 C2 C3 H7 118.329
C3 C2 H4 118.329 C3 C2 H5 118.329
H4 C2 H5 116.475 H6 C3 H7 116.475

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