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Geometry for CH3SH (Methanethiol) 1A' CS

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

B1B95/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0495 1.1419 0.0000   1.1428 -0.0173 0.0000
S2 -0.0495 -0.6680 0.0000   -0.6663 -0.0684 0.0000
H3 1.3011 -0.7690 0.0000   -0.8055 1.2789 0.0000
H4 -1.0914 1.4826 0.0000   1.5128 -1.0491 0.0000
H5 0.4402 1.5613 0.8896   1.5483 0.4841 0.8896
H6 0.4402 1.5613 -0.8896   1.5483 0.4841 -0.8896
Atom - Atom Distances (Å)
  C1 S2 H3 H4 H5 H6
C1 1.8098 2.3400 1.0961 1.0987 1.0987
S2 1.8098 1.3545 2.3896 2.4497 2.4497
H3 2.3400 1.3545 3.2854 2.6388 2.6388
H4 1.0961 2.3896 3.2854 1.7729 1.7729
H5 1.0987 2.4497 2.6388 1.7729 1.7791
H6 1.0987 2.4497 2.6388 1.7729 1.7791
Maximum atom distance is 3.2854Å 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 94.279 S2 C1 H4 108.111
S2 C1 H5 112.446 S2 C1 H6 112.446
H4 C1 H5 107.755 H4 C1 H6 107.755
H5 C1 H6 108.125

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