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Geometry for CH3SeH (Methane selenol) 1A' CS

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

B97D3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0321 -0.4263 0.0000   -0.4266 -0.0274 0.0000
C2 -0.0321 1.5540 0.0000   1.5535 -0.0495 0.0000
H3 1.4562 -0.5411 0.0000   -0.5248 1.4621 0.0000
H4 -1.0863 1.8531 0.0000   1.8408 -1.1069 0.0000
H5 0.4574 1.9291 0.9040   1.9341 0.4358 0.9040
H6 0.4574 1.9291 -0.9040   1.9341 0.4358 -0.9040
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 1.9803 1.4927 2.5113 2.5699 2.5699
C2 1.9803 2.5699 1.0957 1.0943 1.0943
H3 1.4927 2.5699 3.4923 2.8136 2.8136
H4 2.5113 1.0957 3.4923 1.7905 1.7905
H5 2.5699 1.0943 2.8136 1.7905 1.8080
H6 2.5699 1.0943 2.8136 1.7905 1.8080
Maximum atom distance is 3.4923Å 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 105.832 Se1 C2 H5 110.412
Se1 C2 H6 110.412 C2 Se1 H3 94.329
H4 C2 H5 109.439 H4 C2 H6 109.439
H5 C2 H6 111.160

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