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Geometry for CH3S (thiomethoxy) 2A' C3V

1910171554
InChI=1S/CH3S/c1-2/h1H3 INChIKey=QSLPNSWXUQHVLP-UHFFFAOYSA-N

B3PW91/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1046 0.0000 -0.0089   -1.1046 0.0000 -0.0101
S2 0.6920 0.0000 -0.0019   0.6920 0.0000 -0.0012
H3 -1.4254 -0.0002 1.0399   -1.4265 -0.0002 1.0384
H4 -1.5097 0.8982 -0.4780   -1.5092 0.8982 -0.4796
H5 -1.5097 -0.8980 -0.4783   -1.5092 -0.8980 -0.4799
Atom - Atom Distances (Å)
  C1 S2 H3 H4 H5
C1 1.7966 1.0968 1.0913 1.0913
S2 1.7966 2.3598 2.4251 2.4251
H3 1.0968 2.3598 1.7659 1.7658
H4 1.0913 2.4251 1.7659 1.7962
H5 1.0913 2.4251 1.7658 1.7962
Maximum atom distance is 2.4251Å between atoms S2 and H4.
picture of thiomethoxy
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
S2 C1 H3 106.783 S2 C1 H4 111.895
S2 C1 H5 111.894 H3 C1 H4 107.615
H3 C1 H5 107.614 H4 C1 H5 110.770

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