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Geometry for C2H4S (Thiirane) 1A1 C2V

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

mPW1PW91/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9169   0.9169 0.0000 0.0000
C2 0.0000 0.7405 -0.8550   -0.8550 0.7405 0.0000
C3 0.0000 -0.7405 -0.8550   -0.8550 -0.7405 0.0000
H4 -0.9204 1.2536 -1.1025   -1.1025 1.2536 -0.9204
H5 0.9204 1.2536 -1.1025   -1.1025 1.2536 0.9204
H6 0.9204 -1.2536 -1.1025   -1.1025 -1.2536 0.9204
H7 -0.9204 -1.2536 -1.1025   -1.1025 -1.2536 -0.9204
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9205 1.9205 2.5488 2.5488 2.5488 2.5488
C2 1.9205 1.4811 1.0824 1.0824 2.2101 2.2101
C3 1.9205 1.4811 2.2101 2.2101 1.0824 1.0824
H4 2.5488 1.0824 2.2101 1.8408 3.1103 2.5071
H5 2.5488 1.0824 2.2101 1.8408 2.5071 3.1103
H6 2.5488 2.2101 1.0824 3.1103 2.5071 1.8408
H7 2.5488 2.2101 1.0824 2.5071 3.1103 1.8408
Maximum atom distance is 3.1103Å 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 67.319 S1 C3 C2 67.319
C2 S1 C3 45.362
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.185 S1 C2 H5 113.185
S1 C3 H6 113.185 S1 C3 H7 113.185
C2 C3 H6 118.293 C2 C3 H7 118.293
C3 C2 H4 118.293 C3 C2 H5 118.293
H4 C2 H5 116.496 H6 C3 H7 116.496

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