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Geometry for CH3SeH (Methane selenol) 1A' CS

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0323 -0.4274 0.0000   -0.4277 -0.0275 0.0000
C2 -0.0323 1.5423 0.0000   1.5418 -0.0496 0.0000
H3 1.4408 -0.5047 0.0000   -0.4884 1.4464 0.0000
H4 -1.0837 1.8856 0.0000   1.8733 -1.1049 0.0000
H5 0.4677 1.9486 0.9015   1.9538 0.4457 0.9015
H6 0.4677 1.9486 -0.9015   1.9538 0.4457 -0.9015
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9697 1.4751 2.5408 2.5900 2.5900
C2 1.9697 2.5219 1.1061 1.1081 1.1081
H3 1.4751 2.5219 3.4766 2.7890 2.7890
H4 2.5408 1.1061 3.4766 1.7954 1.7954
H5 2.5900 1.1081 2.7890 1.7954 1.8030
H6 2.5900 1.1081 2.7890 1.7954 1.8030
Maximum atom distance is 3.4766Å 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 108.083 Se1 C2 H5 111.513
Se1 C2 H6 111.513 C2 Se1 H3 93.002
H4 C2 H5 108.366 H4 C2 H6 108.366
H5 C2 H6 108.897

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