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Geometry for CH3SOCH3 (Dimethyl sulfoxide) 1A' CS

1910171554
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 INChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
S1 0.2551 0.4312 0.0000
O2 -1.0819 1.0890 0.0000
C3 0.2551 -0.7935 1.3579
C4 0.2551 -0.7935 -1.3579
H5 1.1720 -1.3876 1.3232
H6 1.1720 -1.3876 -1.3232
H7 0.2144 -0.2283 2.2906
H8 0.2144 -0.2283 -2.2906
H9 -0.6300 -1.4284 1.2697
H10 -0.6300 -1.4284 -1.2697
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.4901 1.8286 1.8286 2.4289 2.4289 2.3840 2.3840 2.4194 2.4194
O2 1.4901 2.6787 2.6787 3.6006 3.6006 2.9433 2.9433 2.8554 2.8554
C3 1.8286 2.6787 2.7157 1.0931 2.8951 1.0914 3.6923 1.0928 2.8444
C4 1.8286 2.6787 2.7157 2.8951 1.0931 3.6923 1.0914 2.8444 1.0928
H5 2.4289 3.6006 1.0931 2.8951 2.6464 1.7880 3.9142 1.8032 3.1578
H6 2.4289 3.6006 2.8951 1.0931 2.6464 3.9142 1.7880 3.1578 1.8032
H7 2.3840 2.9433 1.0914 3.6923 1.7880 3.9142 4.5813 1.7877 3.8509
H8 2.3840 2.9433 3.6923 1.0914 3.9142 1.7880 4.5813 3.8509 1.7877
H9 2.4194 2.8554 1.0928 2.8444 1.8032 3.1578 1.7877 3.8509 2.5393
H10 2.4194 2.8554 2.8444 1.0928 3.1578 1.8032 3.8509 1.7877 2.5393
Maximum atom distance is 4.5813Å between atoms H7 and H8.
picture of Dimethyl sulfoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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