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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

B3PW91/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6551   0.6551 0.0000 0.0000
C2 0.0000 1.3827 -0.5088   -0.5088 0.0000 1.3827
C3 0.0000 -1.3827 -0.5088   -0.5088 0.0000 -1.3827
H4 0.0000 2.2970 0.0833   0.0833 0.0000 2.2970
H5 0.0000 -2.2970 0.0833   0.0833 0.0000 -2.2970
H6 0.8923 1.3700 -1.1357   -1.1357 0.8923 1.3700
H7 -0.8923 1.3700 -1.1357   -1.1357 -0.8923 1.3700
H8 -0.8923 -1.3700 -1.1357   -1.1357 -0.8923 -1.3700
H9 0.8923 -1.3700 -1.1357   -1.1357 0.8923 -1.3700
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8073 1.8073 2.3671 2.3671 2.4249 2.4249 2.4249 2.4249
C2 1.8073 2.7654 1.0893 3.7271 1.0906 1.0906 2.9608 2.9608
C3 1.8073 2.7654 3.7271 1.0893 2.9608 2.9608 1.0906 1.0906
H4 2.3671 1.0893 3.7271 4.5941 1.7724 1.7724 3.9660 3.9660
H5 2.3671 3.7271 1.0893 4.5941 3.9660 3.9660 1.7724 1.7724
H6 2.4249 1.0906 2.9608 1.7724 3.9660 1.7846 3.2699 2.7400
H7 2.4249 1.0906 2.9608 1.7724 3.9660 1.7846 2.7400 3.2699
H8 2.4249 2.9608 1.0906 3.9660 1.7724 3.2699 2.7400 1.7846
H9 2.4249 2.9608 1.0906 3.9660 1.7724 2.7400 3.2699 1.7846
Maximum atom distance is 4.5941Å 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 99.823
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.987 S1 C2 H6 111.178
S1 C2 H7 111.178 S1 C3 H5 106.987
S1 C3 H8 111.178 S1 C3 H9 111.178
H4 C2 H6 108.798 H4 C2 H7 108.798
H5 C3 H8 108.798 H5 C3 H9 108.798
H6 C2 H7 109.806 H8 C3 H9 109.806

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