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Geometry for CH3SeH (Methane selenol) 1A' CS

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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0323 -0.4292 0.0000   -0.4287 -0.0385 0.0000
C2 -0.0323 1.5634 0.0000   1.5637 -0.0097 0.0000
H3 1.4612 -0.5478 0.0000   -0.5689 1.4531 0.0000
H4 -1.0801 1.8676 0.0000   1.8831 -1.0530 0.0000
H5 0.4551 1.9462 0.8964   1.9394 0.4832 0.8964
H6 0.4551 1.9462 -0.8964   1.9394 0.4832 -0.8964
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9926 1.4982 2.5246 2.5853 2.5853
C2 1.9926 2.5861 1.0911 1.0898 1.0898
H3 1.4982 2.5861 3.5061 2.8348 2.8348
H4 2.5246 1.0911 3.5061 1.7795 1.7795
H5 2.5853 1.0898 2.8348 1.7795 1.7929
H6 2.5853 1.0898 2.8348 1.7795 1.7929
Maximum atom distance is 3.5061Å 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 106.193 Se1 C2 H5 110.566
Se1 C2 H6 110.566 C2 Se1 H3 94.542
H4 C2 H5 109.360 H4 C2 H6 109.360
H5 C2 H6 110.684

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