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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

BLYP/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 0.7042   0.0000 0.7042 0.0000
C2 0.0000 1.4535 -0.5556   1.4535 -0.5556 0.0000
C3 0.0000 -1.4535 -0.5556   -1.4535 -0.5556 0.0000
H4 0.0000 2.3704 0.0480   2.3704 0.0480 0.0000
H5 0.0000 -2.3704 0.0480   -2.3704 0.0480 0.0000
H6 0.9062 1.4041 -1.1740   1.4041 -1.1740 0.9062
H7 -0.9062 1.4041 -1.1740   1.4041 -1.1740 -0.9062
H8 -0.9062 -1.4041 -1.1740   -1.4041 -1.1740 -0.9062
H9 0.9062 -1.4041 -1.1740   -1.4041 -1.1740 0.9062
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.9234 1.9234 2.4595 2.4595 2.5140 2.5140 2.5140 2.5140
C2 1.9234 2.9069 1.0977 3.8712 1.0982 1.0982 3.0609 3.0609
C3 1.9234 2.9069 3.8712 1.0977 3.0609 3.0609 1.0982 1.0982
H4 2.4595 1.0977 3.8712 4.7407 1.8022 1.8022 4.0695 4.0695
H5 2.4595 3.8712 1.0977 4.7407 4.0695 4.0695 1.8022 1.8022
H6 2.5140 1.0982 3.0609 1.8022 4.0695 1.8123 3.3423 2.8082
H7 2.5140 1.0982 3.0609 1.8022 4.0695 1.8123 2.8082 3.3423
H8 2.5140 3.0609 1.0982 4.0695 1.8022 3.3423 2.8082 1.8123
H9 2.5140 3.0609 1.0982 4.0695 1.8022 2.8082 3.3423 1.8123
Maximum atom distance is 4.7407Å 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 98.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 105.729 S1 C2 H6 109.565
S1 C2 H7 109.565 S1 C3 H5 105.729
S1 C3 H8 109.565 S1 C3 H9 109.565
H4 C2 H6 110.313 H4 C2 H7 110.313
H5 C3 H8 110.313 H5 C3 H9 110.313
H6 C2 H7 111.205 H8 C3 H9 111.205

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