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Geometry for CH3SeH (Methane selenol) 1A' CS

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

B3LYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0315 -0.4255 0.0000   -0.4249 -0.0379 0.0000
C2 -0.0315 1.5517 0.0000   1.5520 -0.0085 0.0000
H3 1.4343 -0.5588 0.0000   -0.5801 1.4258 0.0000
H4 -1.0781 1.8491 0.0000   1.8650 -1.0505 0.0000
H5 0.4528 1.9322 0.8951   1.9253 0.4814 0.8951
H6 0.4528 1.9322 -0.8951   1.9253 0.4814 -0.8951
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9772 1.4718 2.5038 2.5680 2.5680
C2 1.9772 2.5697 1.0880 1.0865 1.0865
H3 1.4718 2.5697 3.4800 2.8231 2.8231
H4 2.5038 1.0880 3.4800 1.7753 1.7753
H5 2.5680 1.0865 2.8231 1.7753 1.7902
H6 2.5680 1.0865 2.8231 1.7753 1.7902
Maximum atom distance is 3.4800Å 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 105.863 Se1 C2 H5 110.499
Se1 C2 H6 110.499 C2 Se1 H3 95.199
H4 C2 H5 109.453 H4 C2 H6 109.453
H5 C2 H6 110.939

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