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Geometry for (Dimethyl sulfide) 1A1 C2V

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

MP2_cp/aug-cc-pVTZ


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.6671
C2 0.0000 1.3614 -0.5175
C3 0.0000 -1.3614 -0.5175
H4 0.0000 2.2885 0.0515
H5 0.0000 -2.2885 0.0515
H6 0.8915 1.3263 -1.1416
H7 -0.8915 1.3263 -1.1416
H8 -0.8915 -1.3263 -1.1416
H9 0.8915 -1.3263 -1.1416
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8046 1.8046 2.3699 2.3699 2.4135 2.4135 2.4135 2.4135
C2 1.8046 2.7229 1.0877 3.6940 1.0888 1.0888 2.8997 2.8997
C3 1.8046 2.7229 3.6940 1.0877 2.8997 2.8997 1.0888 1.0888
H4 2.3699 1.0877 3.6940 4.5770 1.7731 1.7731 3.9096 3.9096
H5 2.3699 3.6940 1.0877 4.5770 3.9096 3.9096 1.7731 1.7731
H6 2.4135 1.0888 2.8997 1.7731 3.9096 1.7830 3.1962 2.6527
H7 2.4135 1.0888 2.8997 1.7731 3.9096 1.7830 2.6527 3.1962
H8 2.4135 2.8997 1.0888 3.9096 1.7731 3.1962 2.6527 1.7830
H9 2.4135 2.8997 1.0888 3.9096 1.7731 2.6527 3.1962 1.7830
Maximum atom distance is 4.5770Å between atoms H4 and H5.
picture of Dimethyl sulfide
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.