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Geometry for CH3SH (Methanethiol) 1A' CS

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

MP2/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0495 1.2074 0.0000   1.2084 -0.0137 0.0000
S2 -0.0495 -0.6927 0.0000   -0.6909 -0.0700 0.0000
H3 1.3112 -0.8624 0.0000   -0.9009 1.2851 0.0000
H4 -1.1066 1.5077 0.0000   1.5398 -1.0615 0.0000
H5 0.4419 1.5966 0.9025   1.5828 0.4890 0.9025
H6 0.4419 1.5966 -0.9025   1.5828 0.4890 -0.9025
Atom - Atom Distances (Å)
  C1 S2 H3 H4 H5 H6
C1 1.9001 2.4770 1.0989 1.0989 1.0989
S2 1.9001 1.3712 2.4411 2.5093 2.5093
H3 2.4770 1.3712 3.3857 2.7599 2.7599
H4 1.0989 2.4411 3.3857 1.7945 1.7945
H5 1.0989 2.5093 2.7599 1.7945 1.8051
H6 1.0989 2.5093 2.7599 1.7945 1.8051
Maximum atom distance is 3.3857Å 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 97.110 S2 C1 H4 105.855
S2 C1 H5 110.740 S2 C1 H6 110.740
H4 C1 H5 109.477 H4 C1 H6 109.477
H5 C1 H6 110.439

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