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Geometry for CH3SH (Methanethiol) 1A' CS

1910171554
InChI=1S/CH4S/c1-2/h2H,1H3 INChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N

B3LYP_cp/aug-cc-pVTZ


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -0.0480 1.1617 0.0000
S2 -0.0480 -0.6689 0.0000
H3 1.2861 -0.8382 0.0000
H4 -1.0930 1.4630 0.0000
H5 0.4316 1.5536 0.8926
H6 0.4316 1.5536 -0.8926
Atom - Atom Distances (Å)
  C1 S2 H3 H4 H5 H6
C1 1.8305 2.4040 1.0875 1.0864 1.0864
S2 1.8305 1.3448 2.3742 2.4426 2.4426
H3 2.4040 1.3448 3.3099 2.6922 2.6922
H4 1.0875 2.3742 3.3099 1.7689 1.7689
H5 1.0864 2.4426 2.6922 1.7689 1.7852
H6 1.0864 2.4426 2.6922 1.7689 1.7852
Maximum atom distance is 3.3099Å between atoms H3 and H4.
picture of Methanethiol
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.