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Geometry for CH3SeH (Methane selenol) 1A' CS

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

PBEPBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 -0.0322 -0.4316 0.0000   -0.4319 -0.0278 0.0000
C2 -0.0322 1.5740 0.0000   1.5736 -0.0483 0.0000
H3 1.4576 -0.5320 0.0000   -0.5171 1.4629 0.0000
H4 -1.0887 1.8746 0.0000   1.8633 -1.1079 0.0000
H5 0.4596 1.9436 0.9082   1.9483 0.4397 0.9082
H6 0.4596 1.9436 -0.9082   1.9483 0.4397 -0.9082
Atom - Atom Distances (Å)
  Se1 C2 H3 H4 H5 H6
Se1 2.0056 1.4932 2.5367 2.5901 2.5901
C2 2.0056 2.5797 1.0985 1.0970 1.0970
H3 1.4932 2.5797 3.5036 2.8195 2.8195
H4 2.5367 1.0985 3.5036 1.7964 1.7964
H5 2.5901 1.0970 2.8195 1.7964 1.8164
H6 2.5901 1.0970 2.8195 1.7964 1.8164
Maximum atom distance is 3.5036Å 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 105.881 Se1 C2 H5 109.693
Se1 C2 H6 109.693 C2 Se1 H3 93.858
H4 C2 H5 109.817 H4 C2 H6 109.817
H5 C2 H6 111.769

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