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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

MP2=FULL/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6644   0.6644 0.0000 0.0000
C2 0.0000 1.3611 -0.5142   -0.5142 0.0000 1.3611
C3 0.0000 -1.3611 -0.5142   -0.5142 0.0000 -1.3611
H4 0.0000 2.2910 0.0570   0.0570 0.0000 2.2910
H5 0.0000 -2.2910 0.0570   0.0570 0.0000 -2.2910
H6 0.8926 1.3412 -1.1435   -1.1435 0.8926 1.3412
H7 -0.8926 1.3412 -1.1435   -1.1435 -0.8926 1.3412
H8 -0.8926 -1.3412 -1.1435   -1.1435 -0.8926 -1.3412
H9 0.8926 -1.3412 -1.1435   -1.1435 0.8926 -1.3412
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8005 1.8005 2.3702 2.3702 2.4216 2.4216 2.4216 2.4216
C2 1.8005 2.7223 1.0913 3.6966 1.0923 1.0923 2.9147 2.9147
C3 1.8005 2.7223 3.6966 1.0913 2.9147 2.9147 1.0923 1.0923
H4 2.3702 1.0913 3.6966 4.5820 1.7720 1.7720 3.9282 3.9282
H5 2.3702 3.6966 1.0913 4.5820 3.9282 3.9282 1.7720 1.7720
H6 2.4216 1.0923 2.9147 1.7720 3.9282 1.7853 3.2222 2.6824
H7 2.4216 1.0923 2.9147 1.7720 3.9282 1.7853 2.6824 3.2222
H8 2.4216 2.9147 1.0923 3.9282 1.7720 3.2222 2.6824 1.7853
H9 2.4216 2.9147 1.0923 3.9282 1.7720 2.6824 3.2222 1.7853
Maximum atom distance is 4.5820Å 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 98.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.549 S1 C2 H6 111.303
S1 C2 H7 111.303 S1 C3 H5 107.549
S1 C3 H8 111.303 S1 C3 H9 111.303
H4 C2 H6 108.485 H4 C2 H7 108.485
H5 C3 H8 108.485 H5 C3 H9 108.485
H6 C2 H7 109.611 H8 C3 H9 109.611

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