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Geometry for CH3SeH (Methane selenol) 1A' CS

1910171554
InChI=1S/CH4Se/c1-2/h2H,1H3 INChIKey=APKHDKJWSHYLEU-UHFFFAOYSA-N

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0313 -0.4219 0.0000   -0.4214 -0.0375 0.0000
C2 -0.0313 1.5331 0.0000   1.5334 -0.0087 0.0000
H3 1.4271 -0.5450 0.0000   -0.5659 1.4189 0.0000
H4 -1.0881 1.8397 0.0000   1.8555 -1.0609 0.0000
H5 0.4566 1.9255 0.9034   1.9185 0.4850 0.9034
H6 0.4566 1.9255 -0.9034   1.9185 0.4850 -0.9034
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9550 1.4636 2.4963 2.5621 2.5621
C2 1.9550 2.5388 1.1004 1.0992 1.0992
H3 1.4636 2.5388 3.4660 2.8037 2.8037
H4 2.4963 1.1004 3.4660 1.7916 1.7916
H5 2.5621 1.0992 2.8037 1.7916 1.8068
H6 2.5621 1.0992 2.8037 1.7916 1.8068
Maximum atom distance is 3.4660Å between atoms H3 and H4.
picture of Methane selenol
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
Se1 C2 H4 106.175 Se1 C2 H5 110.913
Se1 C2 H6 110.913 C2 Se1 H3 94.823
H4 C2 H5 109.080 H4 C2 H6 109.080
H5 C2 H6 110.553

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