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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

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
S1 0.2583 0.4234 0.0000
O2 -1.0935 1.0960 0.0000
C3 0.2583 -0.7878 1.3400
C4 0.2583 -0.7878 -1.3400
H5 1.1684 -1.3916 1.3049
H6 1.1684 -1.3916 -1.3049
H7 0.2194 -0.2346 2.2797
H8 0.2194 -0.2346 -2.2797
H9 -0.6304 -1.4181 1.2562
H10 -0.6304 -1.4181 -1.2562
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5099 1.8062 1.8062 2.4135 2.4135 2.3730 2.3730 2.3997 2.3997
O2 1.5099 2.6780 2.6780 3.6065 3.6065 2.9481 2.9481 2.8484 2.8484
C3 1.8062 2.6780 2.6800 1.0927 2.8615 1.0911 3.6619 1.0927 2.8155
C4 1.8062 2.6780 2.6800 2.8615 1.0927 3.6619 1.0911 2.8155 1.0927
H5 2.4135 3.6065 1.0927 2.8615 2.6098 1.7858 3.8843 1.7996 3.1297
H6 2.4135 3.6065 2.8615 1.0927 2.6098 3.8843 1.7858 3.1297 1.7996
H7 2.3730 2.9481 1.0911 3.6619 1.7858 3.8843 4.5593 1.7805 3.8242
H8 2.3730 2.9481 3.6619 1.0911 3.8843 1.7858 4.5593 3.8242 1.7805
H9 2.3997 2.8484 1.0927 2.8155 1.7996 3.1297 1.7805 3.8242 2.5123
H10 2.3997 2.8484 2.8155 1.0927 3.1297 1.7996 3.8242 1.7805 2.5123
Maximum atom distance is 4.5593Å 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.