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Geometry for CH3SH (Methanethiol) 1A' CS

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

MP2/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0496 1.1475 0.0000   1.1484 -0.0177 0.0000
S2 -0.0496 -0.6715 0.0000   -0.6699 -0.0683 0.0000
H3 1.2957 -0.7736 0.0000   -0.8094 1.2736 0.0000
H4 -1.0958 1.4967 0.0000   1.5266 -1.0537 0.0000
H5 0.4459 1.5683 0.8936   1.5552 0.4894 0.8936
H6 0.4459 1.5683 -0.8936   1.5552 0.4894 -0.8936
Atom - Atom Distances (Å)
  C1 S2 H3 H4 H5 H6
C1 1.8190 2.3453 1.1029 1.1051 1.1051
S2 1.8190 1.3492 2.4074 2.4619 2.4619
H3 2.3453 1.3492 3.2975 2.6467 2.6467
H4 1.1029 2.4074 3.2975 1.7834 1.7834
H5 1.1051 2.4619 2.6467 1.7834 1.7873
H6 1.1051 2.4619 2.6467 1.7834 1.7873
Maximum atom distance is 3.2975Å 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
C1 S2 H3 94.338 S2 C1 H4 108.461
S2 C1 H5 112.382 S2 C1 H6 112.382
H4 C1 H5 107.744 H4 C1 H6 107.744
H5 C1 H6 107.929

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