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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

1910171554
InChI=1S/C2H6S/c1-3-2/h1-2H3 INChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N

CID/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 0.6883   0.6883 0.0000 0.0000
C2 0.0000 1.4331 -0.5389   -0.5389 0.0000 1.4331
C3 0.0000 -1.4331 -0.5389   -0.5389 0.0000 -1.4331
H4 0.0000 2.3520 0.0509   0.0509 0.0000 2.3520
H5 0.0000 -2.3520 0.0509   0.0509 0.0000 -2.3520
H6 0.8970 1.3971 -1.1617   -1.1617 0.8970 1.3971
H7 -0.8970 1.3971 -1.1617   -1.1617 -0.8970 1.3971
H8 -0.8970 -1.3971 -1.1617   -1.1617 -0.8970 -1.3971
H9 0.8970 -1.3971 -1.1617   -1.1617 0.8970 -1.3971
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8868 1.8868 2.4368 2.4368 2.4858 2.4858 2.4858 2.4858
C2 1.8868 2.8663 1.0918 3.8308 1.0926 1.0926 3.0336 3.0336
C3 1.8868 2.8663 3.8308 1.0918 3.0336 3.0336 1.0926 1.0926
H4 2.4368 1.0918 3.8308 4.7039 1.7852 1.7852 4.0411 4.0411
H5 2.4368 3.8308 1.0918 4.7039 4.0411 4.0411 1.7852 1.7852
H6 2.4858 1.0926 3.0336 1.7852 4.0411 1.7940 3.3205 2.7942
H7 2.4858 1.0926 3.0336 1.7852 4.0411 1.7940 2.7942 3.3205
H8 2.4858 3.0336 1.0926 4.0411 1.7852 3.3205 2.7942 1.7940
H9 2.4858 3.0336 1.0926 4.0411 1.7852 2.7942 3.3205 1.7940
Maximum atom distance is 4.7039Å between atoms H4 and H5.
picture of Dimethyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 C3 98.852
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.728 S1 C2 H6 110.224
S1 C2 H7 110.224 S1 C3 H5 106.728
S1 C3 H8 110.224 S1 C3 H9 110.224
H4 C2 H6 109.614 H4 C2 H7 109.614
H5 C3 H8 109.614 H5 C3 H9 109.614
H6 C2 H7 110.366 H8 C3 H9 110.366

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