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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

mPW1PW91/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6579   0.6579 0.0000 0.0000
C2 0.0000 1.3826 -0.5104   -0.5104 0.0000 1.3826
C3 0.0000 -1.3826 -0.5104   -0.5104 0.0000 -1.3826
H4 0.0000 2.3048 0.0851   0.0851 0.0000 2.3048
H5 0.0000 -2.3048 0.0851   0.0851 0.0000 -2.3048
H6 0.8992 1.3703 -1.1430   -1.1430 0.8992 1.3703
H7 -0.8992 1.3703 -1.1430   -1.1430 -0.8992 1.3703
H8 -0.8992 -1.3703 -1.1430   -1.1430 -0.8992 -1.3703
H9 0.8992 -1.3703 -1.1430   -1.1430 0.8992 -1.3703
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8101 1.8101 2.3749 2.3749 2.4351 2.4351 2.4351 2.4351
C2 1.8101 2.7652 1.0978 3.7352 1.0995 1.0995 2.9644 2.9644
C3 1.8101 2.7652 3.7352 1.0978 2.9644 2.9644 1.0995 1.0995
H4 2.3749 1.0978 3.7352 4.6096 1.7861 1.7861 3.9779 3.9779
H5 2.3749 3.7352 1.0978 4.6096 3.9779 3.9779 1.7861 1.7861
H6 2.4351 1.0995 2.9644 1.7861 3.9779 1.7985 3.2781 2.7407
H7 2.4351 1.0995 2.9644 1.7861 3.9779 1.7985 2.7407 3.2781
H8 2.4351 2.9644 1.0995 3.9779 1.7861 3.2781 2.7407 1.7985
H9 2.4351 2.9644 1.0995 3.9779 1.7861 2.7407 3.2781 1.7985
Maximum atom distance is 4.6096Å 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 99.606
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.952 S1 C2 H6 111.275
S1 C2 H7 111.275 S1 C3 H5 106.952
S1 C3 H8 111.275 S1 C3 H9 111.275
H4 C2 H6 108.751 H4 C2 H7 108.751
H5 C3 H8 108.751 H5 C3 H9 108.751
H6 C2 H7 109.736 H8 C3 H9 109.736

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